data_2jyd_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 2jyd _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 ' 12' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 51.3 Cg_exo -57.64 -44.31 42.67 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.096 2.531 . . . . 0.0 113.43 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.598 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.4 m -60.39 117.92 28.96 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 0.0 111.934 -176.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 25.1 Cg_exo -68.95 -32.77 21.33 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.189 2.593 . . . . 0.0 112.351 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.86 -23.28 64.47 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.721 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.598 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 48.6 t -88.91 161.97 16.37 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 174.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.62 -37.29 5.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.304 -176.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.6 -14.54 7.21 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.754 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -92.32 139.15 30.89 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 122.387 -0.478 . . . . 0.0 110.29 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.81 -169.97 30.28 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.33 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.606 ' C ' ' HB3' ' A' ' 37' ' ' PRO . 2.6 m-70 -159.03 153.23 23.74 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.862 0.865 . . . . 0.0 108.97 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.755 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -63.71 -26.55 40.93 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 173.821 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.413 ' N ' HG21 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -64.3 -61.64 2.11 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 113.611 -1.631 . . . . 0.0 111.82 174.814 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.68 44.87 4.43 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -141.38 5.1 1.83 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.501 -0.35 . . . . 0.0 111.109 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.54 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 25.2 m-85 -137.71 -177.94 5.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.299 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.5 -40.24 8.35 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.36 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.17 174.74 13.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.94 0.4 . . . . 0.0 111.63 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.472 ' C ' ' HG2' ' A' ' 31' ' ' ARG . 46.2 p-80 -148.3 176.89 9.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.044 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.472 ' HG2' ' C ' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -143.53 22.39 1.83 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.984 0.421 . . . . 0.0 110.775 179.225 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 12.3 m -149.99 173.47 13.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.576 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.55 -2.83 34.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.966 0.413 . . . . 0.0 111.31 -178.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -21.12 46.03 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.042 0.448 . . . . 0.0 110.148 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.549 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -113.27 -8.2 19.86 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.109 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.3 m -58.3 112.13 4.49 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-O 120.949 0.404 . . . . 0.0 111.816 -178.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.755 ' HA ' HG12 ' A' ' 23' ' ' ILE . 87.3 Cg_endo -76.12 -10.89 19.53 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.307 2.005 . . . . 0.0 110.882 174.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.431 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.238 175.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.445 -0.709 0 CA-C-O 120.993 0.425 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.474 ' HB2' HD22 ' A' ' 33' ' ' LEU . 51.3 Cg_exo -61.62 -14.43 35.64 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 123.466 2.777 . . . . 0.0 112.842 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.573 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.8 m -82.18 122.41 79.43 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.225 -175.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 21.8 Cg_exo -74.3 -35.99 3.51 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.191 2.594 . . . . 0.0 112.804 -177.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.97 -15.54 80.45 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.154 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.573 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 47.9 t -102.28 153.75 19.69 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.39 -9.81 23.03 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.125 -0.359 . . . . 0.0 111.502 -172.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.95 -14.86 59.89 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.095 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.97 143.9 27.39 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.404 -0.468 . . . . 0.0 110.572 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.89 -173.8 35.23 Favored Glycine 0 C--O 1.222 -0.643 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.036 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.649 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.9 m-70 -156.67 150.31 24.61 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 176.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.42 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -68.54 -22.27 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.223 0.535 . . . . 0.0 109.858 175.853 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.755 HG21 ' HB2' ' A' ' 26' ' ' ASN . 6.0 t -82.23 -21.69 36.22 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.305 177.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.23 20.19 74.81 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.202 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.755 ' HB2' HG21 ' A' ' 24' ' ' THR . 38.5 m-80 -110.07 1.82 19.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -175.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.585 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 92.6 m-85 -132.63 -172.99 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 111.384 -175.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -106.64 -43.04 4.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.028 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.82 174.38 15.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.676 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.576 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 42.7 p-80 -148.23 172.33 14.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.928 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 mmt85 -134.45 9.66 3.71 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.88 169.82 15.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.59 0.233 . . . . 0.0 111.094 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 13' ' ' PRO . 2.0 mt -77.68 0.63 22.66 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -177.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.25 -53.41 6.38 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -175.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.649 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -89.96 32.01 5.06 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.699 -174.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.2 m -78.46 116.04 56.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.793 0.296 . . . . 0.0 111.665 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HA ' HG12 ' A' ' 23' ' ' ILE . 56.1 Cg_endo -70.81 -20.24 30.14 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.231 1.954 . . . . 0.0 110.793 173.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.434 ' HD2' ' HA ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.919 172.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.4 p . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.569 ' HB2' HD11 ' A' ' 33' ' ' LEU . 85.4 Cg_exo -53.55 -30.25 53.68 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.551 2.834 . . . . 0.0 114.004 -173.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 3.6 m -81.94 112.37 34.57 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.864 0.364 . . . . 0.0 111.7 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 34.4 Cg_exo -67.08 -29.8 39.49 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.064 2.509 . . . . 0.0 112.379 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.98 -2.75 88.26 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.269 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.544 ' SG ' ' HD2' ' A' ' 37' ' ' PRO . 44.4 t -89.39 158.44 17.76 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.98 -21.81 14.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.43 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.54 -31.35 6.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.437 174.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.544 ' HA ' ' HB3' ' A' ' 29' ' ' SER . 0.0 OUTLIER -97.22 71.96 2.42 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 122.3 -0.53 . . . . 0.0 111.602 -176.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.69 -174.04 45.09 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.299 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.653 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 2.4 m-70 -152.41 144.08 23.53 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.552 ' HB ' ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -76.28 -16.36 15.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 122.209 1.004 . . . . 0.0 108.794 175.375 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.548 ' OG1' ' HB3' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -67.75 -70.1 0.28 Allowed 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.612 177.876 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.79 13.7 10.07 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.243 -176.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -108.91 -16.84 14.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.51 -0.345 . . . . 0.0 110.917 -175.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.653 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 80.4 m-85 -132.7 149.29 52.31 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.658 -174.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.28 -34.16 42.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.85 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.544 ' HB3' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -155.6 173.09 17.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.522 0.201 . . . . 0.0 111.021 -177.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.404 ' HB2' ' H ' ' A' ' 31' ' ' ARG . 29.1 p-80 -142.11 -161.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.404 ' H ' ' HB2' ' A' ' 30' ' ' HIS . 11.5 ttp-105 -148.62 -27.68 0.31 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.292 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.56 -175.61 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.107 -179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 13' ' ' PRO . 1.6 mt -77.68 46.26 0.54 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.044 0.449 . . . . 0.0 112.021 -176.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.16 -8.99 15.63 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.025 0.44 . . . . 0.0 110.431 177.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.587 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -159.17 25.26 0.34 Allowed Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.47 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.6 m -62.65 109.79 2.75 Favored Pre-proline 0 C--O 1.233 0.203 0 O-C-N 123.736 0.315 . . . . 0.0 110.328 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.552 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 88.6 Cg_endo -81.81 -12.3 11.03 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.168 1.912 . . . . 0.0 112.088 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.431 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.626 175.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.582 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.446 -0.632 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.582 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 47.5 Cg_exo -58.55 -26.21 77.7 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.465 2.11 . . . . 0.0 112.759 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 2.0 m -92.86 111.26 50.48 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.747 -177.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -67.82 -30.54 33.47 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.842 2.361 . . . . 0.0 112.415 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.73 0.58 89.36 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.414 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.743 ' SG ' ' HD2' ' A' ' 37' ' ' PRO . 48.6 t -84.24 168.48 15.67 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 178.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.53 -10.2 15.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.498 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.41 -45.87 2.93 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.344 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.96 64.39 3.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.389 0.614 . . . . 0.0 111.262 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.08 -169.97 33.11 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.55 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.533 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 2.1 m-70 -160.28 146.75 15.65 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 123.296 0.638 . . . . 0.0 109.748 176.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.798 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -69.27 -31.15 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 175.159 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.447 HG22 ' HB2' ' A' ' 26' ' ' ASN . 12.6 t -74.6 -21.84 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.554 176.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.45 6.8 43.24 Favored Glycine 0 C--N 1.333 0.408 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.983 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.447 ' HB2' HG22 ' A' ' 24' ' ' THR . 27.3 m-80 -92.67 1.3 57.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.814 0.34 . . . . 0.0 111.519 -174.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.533 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 78.9 m-85 -129.09 -164.72 1.42 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.757 -176.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.4 -37.76 2.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.172 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.08 178.44 10.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.407 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.4 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 36.0 p-80 -155.53 -159.79 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -154.68 -16.51 0.12 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.873 0.368 . . . . 0.0 111.129 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.41 174.05 8.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.436 -178.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.89 7.08 5.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.894 0.378 . . . . 0.0 111.676 -177.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -14.39 58.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.48 177.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -135.58 11.09 4.32 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.187 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.3 m -67.19 116.8 39.99 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.808 0.304 . . . . 0.0 110.844 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.798 ' HA ' HG12 ' A' ' 23' ' ' ILE . 92.4 Cg_endo -78.84 -5.43 14.64 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.82 2.346 . . . . 0.0 111.794 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.498 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.532 -177.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.569 ' HB2' ' CD ' ' A' ' 13' ' ' PRO . 1.1 p . . . . . 0 N--CA 1.448 -0.573 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.569 ' CD ' ' HB2' ' A' ' 12' ' ' CYS . 25.8 Cg_exo -68.49 -29.62 30.54 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.942 1.762 . . . . 0.0 113.279 -175.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.452 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 17.0 m -79.87 121.46 82.25 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.008 0.432 . . . . 0.0 112.128 -174.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 32.8 Cg_exo -65.87 -41.16 14.67 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.344 2.696 . . . . 0.0 112.643 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.79 -5.12 89.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.508 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.452 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 12.4 t -87.45 -165.84 1.41 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.17 -36.62 0.33 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.951 -177.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.75 -9.79 8.56 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.762 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -107.71 150.8 26.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.069 0.461 . . . . 0.0 111.033 179.382 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.2 -178.79 46.49 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.075 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.643 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 2.0 m-70 -153.83 150.87 28.88 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 176.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.433 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -70.04 -29.58 40.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 172.047 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.642 HG23 ' HB2' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -73.7 -13.81 61.04 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.674 174.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.11 10.66 34.94 Favored Glycine 0 C--N 1.336 0.552 0 N-CA-C 114.534 0.574 . . . . 0.0 114.534 172.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.642 ' HB2' HG23 ' A' ' 24' ' ' THR . 3.5 m-80 -107.64 13.75 26.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.395 -0.473 . . . . 0.0 111.955 -174.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.643 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 78.6 m-85 -141.43 175.47 9.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.42 -23.22 13.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.273 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -157.36 165.96 34.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.635 -179.475 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.519 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 25.6 p-80 -136.23 -157.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.053 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -147.08 -29.9 0.35 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.059 -178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.37 -169.28 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.744 0.307 . . . . 0.0 111.341 -175.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -5.34 47.31 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -8.4 59.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.983 176.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.554 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -125.74 -14.32 3.17 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.966 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.3 m -57.39 113.45 6.27 Favored Pre-proline 0 C--O 1.232 0.164 0 CA-C-N 116.768 0.284 . . . . 0.0 111.088 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HA ' HG12 ' A' ' 23' ' ' ILE . 58.4 Cg_endo -73.97 -20.94 18.92 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.148 1.899 . . . . 0.0 110.894 176.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.454 174.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.896 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 17.9 p . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 111.333 0.123 . . . . 0.0 111.333 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.896 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 60.4 Cg_endo -71.23 -20.9 27.62 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.399 2.066 . . . . 0.0 112.476 177.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.56 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 28.6 m -72.5 118.67 69.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.114 0.483 . . . . 0.0 111.863 -177.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 27.8 Cg_exo -68.16 -29.04 33.57 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.27 2.647 . . . . 0.0 112.595 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.24 -8.79 83.12 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.607 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -81.88 172.65 13.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.906 0.384 . . . . 0.0 110.812 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.57 -9.81 12.6 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.621 170.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.33 -23.11 32.68 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.551 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.9 OUTLIER -102.47 150.72 23.09 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 122.456 -0.438 . . . . 0.0 111.391 -177.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.07 167.07 38.67 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.655 -0.702 . . . . 0.0 113.16 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.605 ' HB3' HG21 ' A' ' 24' ' ' THR . 1.6 m-70 -144.36 160.2 41.43 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.395 0.678 . . . . 0.0 110.083 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.646 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -68.16 -36.5 75.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 172.666 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.61 HG23 ' HB2' ' A' ' 26' ' ' ASN . 13.1 t -68.74 -18.42 64.22 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.524 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.97 32.21 79.22 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.65 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.61 ' HB2' HG23 ' A' ' 24' ' ' THR . 28.2 m-20 -125.95 10.17 7.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.876 0.37 . . . . 0.0 111.011 -173.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -134.51 171.23 14.6 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.777 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.57 -36.05 10.42 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.983 0.421 . . . . 0.0 110.726 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -159.73 178.35 9.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.816 -178.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.505 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 55.3 p-80 -156.99 165.73 35.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.28 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.443 ' HE ' ' HB2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -137.99 16.32 2.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.93 0.395 . . . . 0.0 110.676 176.116 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.81 160.11 40.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.347 178.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -78.27 33.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.039 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.77 -22.88 17.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.055 0.455 . . . . 0.0 110.38 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.501 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -140.53 28.14 2.45 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.034 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.428 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 34.5 m -62.48 116.29 22.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.646 ' HA ' HG12 ' A' ' 23' ' ' ILE . 72.8 Cg_endo -78.64 -8.4 15.89 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.452 2.101 . . . . 0.0 111.321 176.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.818 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' HB2' ' CD ' ' A' ' 13' ' ' PRO . 9.1 p . . . . . 0 N--CA 1.449 -0.502 0 CA-C-O 120.642 0.258 . . . . 0.0 111.682 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 12.2 Cg_exo -75.65 -31.01 5.73 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 123.18 2.587 . . . . 0.0 112.79 -178.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 2.5 m -58.36 120.72 46.67 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -176.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 24.4 Cg_exo -69.0 -37.17 11.41 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.18 2.587 . . . . 0.0 112.791 -177.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.95 -1.48 88.81 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.78 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 37.9 t -98.14 158.68 15.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.661 0.267 . . . . 0.0 110.297 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.64 -14.91 16.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.802 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.18 -2.81 61.55 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.85 -0.691 . . . . 0.0 113.417 176.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -113.39 156.89 22.63 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.207 -0.584 . . . . 0.0 111.345 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.16 179.73 44.17 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.501 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.591 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 1.9 m-70 -144.01 158.32 43.78 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.806 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -68.48 -31.54 51.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 172.705 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.423 HG22 ' HB2' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -74.94 -20.72 59.57 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.018 176.441 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.08 -16.9 13.65 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 121.311 -0.471 . . . . 0.0 114.166 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.423 ' HB2' HG22 ' A' ' 24' ' ' THR . 15.6 m-20 -79.02 -1.26 34.73 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -172.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.591 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 72.2 m-85 -124.77 152.9 43.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.725 0.298 . . . . 0.0 110.454 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.53 -29.62 19.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.777 -176.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -163.03 173.68 13.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.741 -178.69 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -153.1 -171.9 4.07 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.95 12.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -178.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.441 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -147.83 164.58 33.22 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.334 -0.146 . . . . 0.0 110.815 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.92 72.42 3.49 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.453 0.644 . . . . 0.0 110.915 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.19 -55.03 0.8 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.146 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.559 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -115.97 39.95 2.57 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.613 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.8 m -68.55 117.63 52.18 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.806 ' HA ' HG12 ' A' ' 23' ' ' ILE . 95.1 Cg_endo -76.19 -13.2 19.09 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.977 1.785 . . . . 0.0 110.12 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.482 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.381 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.667 175.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.485 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 6.9 p . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.503 ' HB2' HD12 ' A' ' 33' ' ' LEU . 46.7 Cg_exo -59.78 -27.93 86.09 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.396 2.731 . . . . 0.0 113.263 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.589 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 16.8 m -75.0 122.04 86.6 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.571 -177.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 25.9 Cg_exo -70.83 -35.15 9.94 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.939 2.426 . . . . 0.0 112.763 -176.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.25 -40.61 15.63 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.749 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.597 ' SG ' ' HD2' ' A' ' 37' ' ' PRO . 47.3 t -70.9 139.02 50.63 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 174.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.49 -35.44 24.89 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.184 -0.322 . . . . 0.0 110.912 -173.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.01 -12.15 9.89 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -95.37 136.79 35.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.972 0.415 . . . . 0.0 110.726 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.27 -175.09 33.03 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.143 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 1.9 m-70 -154.17 164.57 38.31 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.233 0.613 . . . . 0.0 109.622 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.707 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -72.6 -33.92 46.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.641 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.774 HG23 ' HB2' ' A' ' 26' ' ' ASN . 0.9 OUTLIER -76.48 -18.94 58.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.034 176.51 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.02 18.35 64.49 Favored Glycine 0 CA--C 1.523 0.586 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.812 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.774 ' HB2' HG23 ' A' ' 24' ' ' THR . 2.9 m-80 -106.66 10.7 30.94 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.544 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 67.9 m-85 -130.84 -177.85 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.989 0.423 . . . . 0.0 111.069 -176.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.54 -44.46 6.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.533 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 p -159.55 177.58 10.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.806 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.451 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 46.4 p-80 -148.73 170.47 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.699 179.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.55 6.78 2.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.846 0.355 . . . . 0.0 110.805 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.94 166.69 21.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.136 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.503 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -77.53 15.37 0.81 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.774 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -8.55 45.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -178.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -139.69 20.51 2.91 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.145 -1.026 . . . . 0.0 113.169 -176.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.8 m -69.93 112.35 12.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 111.885 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.707 ' HA ' HG12 ' A' ' 23' ' ' ILE . 85.6 Cg_endo -80.37 -18.12 9.85 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.82 2.347 . . . . 0.0 112.356 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 121.12 0.486 . . . . 0.0 110.26 178.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.531 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.446 -0.632 0 CA-C-O 120.423 0.154 . . . . 0.0 111.104 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.531 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 12.4 Cg_endo -57.68 -32.75 95.43 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 123.211 2.608 . . . . 0.0 113.431 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -76.69 114.11 35.85 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -175.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -66.93 -29.79 40.66 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.223 2.616 . . . . 0.0 112.808 -178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.08 3.78 83.07 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.072 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 t -106.7 174.67 5.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.709 0.29 . . . . 0.0 110.22 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.51 -17.52 6.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.971 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.64 -4.35 46.73 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.471 -0.871 . . . . 0.0 113.085 176.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -110.3 146.04 36.39 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.789 0.328 . . . . 0.0 110.675 179.127 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.86 -174.89 43.05 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.263 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.662 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.6 m-70 -152.38 160.22 43.32 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 123.454 0.702 . . . . 0.0 109.359 177.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.798 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -68.81 -29.57 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.674 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 26' ' ' ASN . 1.3 t -76.46 -13.94 60.08 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.839 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.29 45.76 95.82 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.963 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.513 ' HB2' HG22 ' A' ' 24' ' ' THR . 15.8 m-80 -142.09 3.94 1.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.513 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 80.5 m-85 -130.11 155.15 46.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.068 0.461 . . . . 0.0 111.022 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.0 -38.74 35.92 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.239 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -159.64 175.04 13.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.044 0.45 . . . . 0.0 111.676 -176.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -154.04 -165.57 2.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.364 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HE ' ' HB3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -159.46 15.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 110.6 177.286 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.42 174.16 11.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.395 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -5.9 48.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -5.93 55.27 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.241 0.543 . . . . 0.0 110.229 176.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.662 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -128.36 -12.71 2.75 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.727 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.62 110.53 3.0 Favored Pre-proline 0 CA--C 1.53 0.181 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.798 ' HA ' HG12 ' A' ' 23' ' ' ILE . 57.8 Cg_endo -71.95 -19.11 27.23 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.419 2.079 . . . . 0.0 111.669 176.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.503 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.621 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 27.3 p . . . . . 0 N--CA 1.45 -0.432 0 CA-C-O 120.82 0.343 . . . . 0.0 111.375 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.802 ' HG2' ' HG ' ' A' ' 33' ' ' LEU . 37.2 Cg_endo -65.59 -28.27 53.03 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.733 2.289 . . . . 0.0 113.193 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.475 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 10.1 m -65.56 117.45 41.13 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -175.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 20.5 Cg_exo -72.61 -35.17 6.35 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.162 2.575 . . . . 0.0 112.622 -177.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.65 2.53 87.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.643 -178.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.485 ' HA ' ' CB ' ' A' ' 38' ' ' ARG . 8.5 t -84.33 -172.71 4.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.156 0.503 . . . . 0.0 110.958 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.34 -20.49 4.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.844 174.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.75 1.15 65.96 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.501 174.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.465 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.9 OUTLIER -117.21 156.58 27.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.08 0.44 . . . . 0.0 110.859 -179.758 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.431 ' O ' ' HD2' ' A' ' 22' ' ' HIS . . . 68.41 -168.18 42.71 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.97 -0.559 . . . . 0.0 113.345 178.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.676 ' C ' ' HB3' ' A' ' 37' ' ' PRO . 1.7 m170 -146.86 153.34 40.04 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 123.887 0.875 . . . . 0.0 109.512 176.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.77 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -61.73 -24.13 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 174.108 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -51.68 -56.72 12.08 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 112.699 -2.046 . . . . 0.0 112.268 169.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.68 19.24 32.5 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.649 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -127.65 9.26 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -175.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -125.31 167.96 14.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.797 0.332 . . . . 0.0 110.699 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.47 -29.47 11.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.741 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.465 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -167.35 173.68 8.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.085 0.469 . . . . 0.0 111.059 -179.12 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -152.51 172.76 16.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.548 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.409 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -136.87 -6.59 1.88 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.069 0.461 . . . . 0.0 110.866 -176.301 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.36 -179.47 5.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.802 ' HG ' ' HG2' ' A' ' 13' ' ' PRO . 4.3 mt -78.41 50.33 0.93 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.33 0.586 . . . . 0.0 110.853 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.36 -35.24 15.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.861 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.588 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -170.11 53.68 0.2 Allowed Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.274 -0.965 . . . . 0.0 113.004 -176.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.6 m -58.13 113.14 5.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.501 0.191 . . . . 0.0 110.577 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.77 ' HA ' HG12 ' A' ' 23' ' ' ILE . 94.3 Cg_endo -77.87 -13.73 15.82 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.337 2.024 . . . . 0.0 110.928 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.485 ' CB ' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.551 171.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.685 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 3.1 p . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.685 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 51.9 Cg_endo -69.64 -35.19 13.47 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.826 2.351 . . . . 0.0 112.747 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.495 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 21.7 m -56.82 119.85 33.18 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -177.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -64.59 -44.37 11.17 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.061 2.507 . . . . 0.0 113.217 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.93 -15.05 79.89 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.91 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.509 ' SG ' ' HD2' ' A' ' 37' ' ' PRO . 49.5 t -86.94 153.51 21.53 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.92 -16.19 15.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.815 0.341 . . . . 0.0 111.025 -176.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.03 -1.32 56.38 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.248 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -104.78 151.96 23.14 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 122.469 -0.43 . . . . 0.0 110.306 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.13 -169.13 53.8 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.405 -177.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.651 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.4 m-70 -153.29 155.93 37.45 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.787 0.835 . . . . 0.0 109.831 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.598 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -68.5 -22.25 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.406 0.622 . . . . 0.0 110.087 175.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.888 HG21 ' HB2' ' A' ' 26' ' ' ASN . 8.2 t -81.65 -11.93 58.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.139 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.46 34.71 82.27 Favored Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.308 -0.472 . . . . 0.0 112.529 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.888 ' HB2' HG21 ' A' ' 24' ' ' THR . 14.8 m-20 -127.18 0.07 6.44 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -126.04 -175.82 3.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.991 0.424 . . . . 0.0 111.252 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.03 -36.03 6.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.12 173.7 12.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.948 0.404 . . . . 0.0 111.128 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.437 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 45.1 p-80 -149.66 -167.28 2.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.766 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -156.34 10.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.951 0.405 . . . . 0.0 111.291 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.439 ' C ' ' H ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -150.98 175.63 11.88 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.229 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.72 33.86 0.18 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.062 0.458 . . . . 0.0 111.571 -178.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -88.26 -28.71 20.92 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.611 179.086 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.651 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -150.6 39.68 0.84 Allowed Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.892 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.7 m -68.51 112.11 10.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.533 0.206 . . . . 0.0 110.933 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.598 ' HA ' HG12 ' A' ' 23' ' ' ILE . 73.6 Cg_endo -75.56 -13.85 20.15 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.451 2.101 . . . . 0.0 111.478 178.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.094 177.844 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.47 ' SG ' ' HA2' ' A' ' 19' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -53.43 -27.27 39.15 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 122.418 2.079 . . . . 0.0 113.669 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 34.2 m -81.68 121.41 79.58 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 121.226 0.536 . . . . 0.0 111.725 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -66.54 -43.15 8.2 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.172 2.581 . . . . 0.0 112.757 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.73 5.62 73.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.041 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.513 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 5.9 t -86.69 -178.65 6.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.912 0.387 . . . . 0.0 111.193 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.57 -25.68 3.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.829 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.47 ' HA2' ' SG ' ' A' ' 12' ' ' CYS . . . 106.52 -7.45 39.55 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.02 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -116.05 158.91 22.43 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 122.445 -0.444 . . . . 0.0 110.468 179.29 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.39 -171.88 55.17 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.994 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.593 ' HB3' HG21 ' A' ' 24' ' ' THR . 1.9 m-70 -156.62 164.31 38.33 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 123.219 0.607 . . . . 0.0 109.459 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.966 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -73.97 -28.05 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 172.688 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.593 HG21 ' HB3' ' A' ' 22' ' ' HIS . 13.9 t -73.02 -21.36 60.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.657 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.16 38.5 96.25 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.898 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -131.79 4.43 4.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.661 0.267 . . . . 0.0 111.462 -173.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.465 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 66.4 m-85 -129.88 -178.78 4.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.895 0.379 . . . . 0.0 111.019 -177.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.75 -41.75 6.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.704 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -155.87 177.61 11.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.028 -179.232 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.434 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 46.9 p-80 -157.02 -175.9 5.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.051 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -160.46 38.33 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.702 0.763 . . . . 0.0 109.88 171.889 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.32 167.07 29.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.493 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 mt -76.36 -7.38 54.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.026 0.441 . . . . 0.0 110.368 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.0 -7.83 58.41 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.023 174.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.565 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -124.15 -20.9 2.4 Favored Glycine 0 N--CA 1.44 -1.047 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.505 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.3 m -58.94 109.64 2.04 Favored Pre-proline 0 C--O 1.233 0.209 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -177.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.966 ' HA ' HG12 ' A' ' 23' ' ' ILE . 75.5 Cg_endo -79.61 -12.39 13.78 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.665 2.243 . . . . 0.0 112.23 177.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.264 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.447 -0.589 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.419 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 49.2 Cg_exo -62.85 -26.71 74.73 Favored 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 122.647 2.231 . . . . 0.0 113.293 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.473 HG21 ' HB2' ' A' ' 17' ' ' CYS . 87.8 m -71.94 119.82 76.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.958 0.409 . . . . 0.0 111.636 -178.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 33.3 Cg_exo -66.11 -35.08 34.92 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.052 2.501 . . . . 0.0 112.541 -176.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.69 7.55 81.6 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.742 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.473 ' HB2' HG21 ' A' ' 14' ' ' THR . 4.9 t -101.4 -175.1 2.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.861 0.363 . . . . 0.0 110.585 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.86 -22.31 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.03 -6.73 32.68 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.013 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -106.23 148.1 28.32 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.205 -0.585 . . . . 0.0 110.796 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.8 -174.45 42.7 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.82 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.588 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 1.9 m-70 -160.15 155.03 24.42 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.779 0.832 . . . . 0.0 109.549 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.871 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -70.77 -31.07 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.96 0.409 . . . . 0.0 110.07 175.794 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 26' ' ' ASN . 14.7 t -71.6 -24.63 61.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.267 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.19 38.36 91.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.005 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.427 ' H ' HG22 ' A' ' 24' ' ' THR . 36.0 m-20 -130.33 -5.38 4.3 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.588 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 27.6 m-85 -121.96 -177.73 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -178.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.23 -46.49 4.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.745 0.307 . . . . 0.0 111.235 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.03 170.65 19.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.229 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -146.92 -169.84 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.521 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.21 8.7 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.071 0.462 . . . . 0.0 111.162 177.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.71 171.32 14.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.273 177.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -77.03 11.22 1.89 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -13.68 46.27 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.758 0.313 . . . . 0.0 110.631 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -139.5 14.42 3.19 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.102 -1.047 . . . . 0.0 113.444 -176.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.8 m -66.84 112.53 9.89 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.778 0.289 . . . . 0.0 110.958 178.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.871 ' HA ' HG12 ' A' ' 23' ' ' ILE . 68.3 Cg_endo -76.27 -9.46 19.0 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.685 2.257 . . . . 0.0 111.671 178.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.219 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 1.2 p . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 110.44 -0.208 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 52.8 Cg_exo -59.21 -38.96 82.81 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.014 2.476 . . . . 0.0 113.461 -177.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.6 m -69.13 116.09 38.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 0.0 111.989 -175.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -66.95 -30.48 39.48 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.174 2.583 . . . . 0.0 112.436 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.0 4.6 86.26 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.275 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.5 t -101.92 177.73 4.82 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.59 -16.96 4.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.386 -178.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.42 -3.65 50.62 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.354 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.94 148.25 28.86 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.362 -0.493 . . . . 0.0 110.817 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.3 -173.22 46.03 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.932 -178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.684 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 2.1 m-70 -155.97 166.8 32.39 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 122.962 0.505 . . . . 0.0 110.039 178.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.52 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -77.3 -28.77 16.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 172.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.567 HG23 ' H ' ' A' ' 26' ' ' ASN . 13.7 t -80.1 -27.35 39.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.605 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 34.19 85.39 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.172 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.567 ' H ' HG23 ' A' ' 24' ' ' THR . 12.5 m-20 -122.76 -3.5 8.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.723 0.297 . . . . 0.0 111.703 -176.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.606 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 36.9 m-85 -120.5 -168.61 1.67 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.207 -178.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.17 -48.5 3.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.543 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.49 175.24 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.446 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.486 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 49.8 p-80 -145.71 -174.56 4.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.643 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.41 10.42 0.43 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.912 0.387 . . . . 0.0 111.129 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.15 170.44 16.09 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.94 -3.12 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.945 0.402 . . . . 0.0 111.248 -177.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -13.68 59.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.421 0.629 . . . . 0.0 109.555 174.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.684 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -115.77 -18.26 6.12 Favored Glycine 0 N--CA 1.44 -1.055 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.948 -178.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.0 m -57.53 109.62 1.89 Allowed Pre-proline 0 C--O 1.234 0.243 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.52 ' HA ' HG12 ' A' ' 23' ' ' ILE . 74.3 Cg_endo -74.32 -7.05 19.25 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.377 2.051 . . . . 0.0 111.107 174.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.72 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.63 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 25.2 p . . . . . 0 C--O 1.238 0.467 0 CA-C-O 120.917 0.389 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.758 ' HG2' ' HG ' ' A' ' 33' ' ' LEU . 19.3 Cg_endo -59.29 -29.0 89.15 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 123.137 2.558 . . . . 0.0 112.651 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.526 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 21.9 m -62.89 115.19 15.51 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.431 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -66.14 -46.78 4.06 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.888 2.392 . . . . 0.0 112.805 -176.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.29 3.5 77.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.002 -0.618 . . . . 0.0 113.345 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.526 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 0.5 OUTLIER -76.7 158.72 30.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.775 0.321 . . . . 0.0 111.348 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.36 -34.94 13.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.63 174.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.51 -17.74 56.24 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.896 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.72 77.42 1.13 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.651 0.725 . . . . 0.0 112.085 -175.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.6 -176.62 33.89 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.643 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 30' ' ' HIS . 1.8 m-70 -144.38 148.15 34.32 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 175.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.463 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -67.92 -25.23 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.068 0.461 . . . . 0.0 109.998 176.317 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.586 HG22 ' H ' ' A' ' 26' ' ' ASN . 5.8 t -70.54 -18.57 62.93 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.356 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.04 73.34 Favored Glycine 0 C--N 1.334 0.467 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.732 177.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.586 ' H ' HG22 ' A' ' 24' ' ' THR . 19.8 m-20 -120.79 -1.18 10.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.844 0.354 . . . . 0.0 111.2 -176.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -125.82 170.1 11.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.505 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.84 -28.95 10.84 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.917 0.389 . . . . 0.0 110.642 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.9 179.31 9.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 22' ' ' HIS . 29.8 p-80 -161.84 164.79 28.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -146.75 19.24 1.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.697 0.284 . . . . 0.0 111.475 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.23 166.19 26.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.597 0.237 . . . . 0.0 110.612 178.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.758 ' HG ' ' HG2' ' A' ' 13' ' ' PRO . 2.7 mt -78.27 70.32 4.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.185 0.517 . . . . 0.0 110.826 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 m -132.92 -41.38 0.92 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.711 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.494 ' HA3' ' ND1' ' A' ' 22' ' ' HIS . . . -139.19 57.65 0.62 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.779 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.4 m -75.58 117.81 66.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.554 0.216 . . . . 0.0 111.034 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.463 ' HA ' HG12 ' A' ' 23' ' ' ILE . 71.5 Cg_endo -77.89 -23.91 8.95 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.724 2.283 . . . . 0.0 111.349 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.521 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.237 0.426 0 CA-C-O 120.834 0.35 . . . . 0.0 111.74 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -65.37 -37.98 28.34 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.289 2.66 . . . . 0.0 113.552 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.454 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 4.4 m -64.16 119.11 52.92 Favored Pre-proline 0 N--CA 1.464 0.274 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -174.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 25.2 Cg_exo -69.51 -33.04 18.37 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.364 2.709 . . . . 0.0 112.522 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.54 4.53 85.58 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.201 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.9 t -100.43 173.4 6.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.5 -14.4 8.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.595 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.67 -4.62 61.69 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.364 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.14 156.53 18.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 117.038 0.419 . . . . 0.0 110.665 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.17 -168.71 54.75 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.364 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.61 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.5 m-70 -155.78 158.83 38.78 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 123.503 0.721 . . . . 0.0 109.801 176.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.727 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -67.83 -29.84 46.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.211 0.529 . . . . 0.0 109.587 174.151 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.874 HG22 ' HB2' ' A' ' 26' ' ' ASN . 3.1 t -79.97 -11.63 59.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.954 177.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.94 18.98 58.3 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.228 -0.442 . . . . 0.0 113.583 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.874 ' HB2' HG22 ' A' ' 24' ' ' THR . 39.9 m-20 -108.26 2.02 22.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.511 -0.405 . . . . 0.0 111.694 -174.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.567 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 92.7 m-85 -132.16 154.73 49.24 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.933 -176.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.15 -39.12 50.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.58 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.66 171.56 20.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.794 0.331 . . . . 0.0 111.062 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.519 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 45.4 p-80 -143.62 -170.19 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.063 177.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mmm-85 -146.69 -10.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.662 0.268 . . . . 0.0 111.486 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 34' ' ' SER . 0.1 OUTLIER -133.05 173.89 10.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.817 -175.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.436 HD22 ' OG1' ' A' ' 14' ' ' THR . 1.0 OUTLIER -76.58 23.03 0.16 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.284 0.564 . . . . 0.0 111.27 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.472 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -86.51 -17.77 33.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.825 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.61 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -153.28 30.09 0.79 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.115 -1.041 . . . . 0.0 113.614 -176.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.6 m -66.0 113.69 13.33 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 120.591 0.234 . . . . 0.0 110.69 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.727 ' HA ' HG12 ' A' ' 23' ' ' ILE . 73.1 Cg_endo -76.74 -8.27 17.96 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.374 2.049 . . . . 0.0 111.146 177.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.747 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.84 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 21.7 p . . . . . 0 N--CA 1.448 -0.566 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.84 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 27.5 Cg_endo -62.89 -25.05 74.25 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.955 2.436 . . . . 0.0 112.728 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.8 m -78.06 111.63 19.68 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.096 -176.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -67.13 -29.54 39.57 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.122 2.548 . . . . 0.0 112.698 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.78 2.18 85.75 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.984 -177.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.566 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -78.23 162.09 26.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.979 0.419 . . . . 0.0 111.945 -179.002 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.42 -31.95 13.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.736 172.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.88 -16.33 59.65 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 121.112 -0.566 . . . . 0.0 113.654 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.87 77.78 1.12 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 117.429 0.614 . . . . 0.0 111.374 -176.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.99 -172.72 35.18 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.316 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.634 ' CD2' ' HB3' ' A' ' 30' ' ' HIS . 1.8 m-70 -146.29 174.91 10.92 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.647 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -83.29 -35.49 11.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 172.567 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 t -59.85 -35.8 75.52 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.061 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.59 13.38 70.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.883 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -108.51 0.36 20.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.913 -0.169 . . . . 0.0 111.443 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -126.45 166.92 16.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.754 0.311 . . . . 0.0 111.419 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.28 -22.41 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.13 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 p -157.84 176.55 12.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.271 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.634 ' HB3' ' CD2' ' A' ' 22' ' ' HIS . 31.1 p-80 -161.07 170.57 20.2 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.84 15.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 111.378 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.07 168.95 22.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.338 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.585 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -77.87 14.82 0.99 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.875 0.369 . . . . 0.0 111.55 -178.499 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -18.44 51.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.044 0.449 . . . . 0.0 110.886 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.544 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -152.93 36.85 0.77 Allowed Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.201 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.585 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 9.2 m -69.82 114.76 27.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 123.588 0.228 . . . . 0.0 111.104 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.647 ' HA ' HG12 ' A' ' 23' ' ' ILE . 56.7 Cg_endo -74.94 -16.29 20.45 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.595 2.197 . . . . 0.0 111.796 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.566 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.093 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.523 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.592 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 11.8 Cg_endo -55.79 -35.73 94.1 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.233 2.622 . . . . 0.0 113.438 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 m -69.66 111.76 9.97 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.692 0.282 . . . . 0.0 111.665 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -68.06 -25.45 37.88 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.875 2.384 . . . . 0.0 112.211 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.97 -11.08 79.69 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.235 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.413 ' HA ' ' CB ' ' A' ' 38' ' ' ARG . 48.1 t -92.6 158.59 15.89 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.29 -16.33 16.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 0.0 110.779 -177.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.47 ' HA2' ' SG ' ' A' ' 12' ' ' CYS . . . 97.4 -3.4 61.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.224 175.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.22 162.86 13.68 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.497 -0.413 . . . . 0.0 110.716 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.42 -165.35 47.0 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.711 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.535 ' C ' ' HB3' ' A' ' 37' ' ' PRO . 1.8 m-70 -154.7 156.34 36.22 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.689 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -65.88 -23.23 31.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 173.625 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -61.98 2.22 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 113.723 -1.581 . . . . 0.0 111.9 173.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.99 26.21 8.55 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.644 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -123.36 -0.39 8.78 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -175.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -126.27 175.17 8.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.844 0.354 . . . . 0.0 111.218 -174.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.06 -37.67 9.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.607 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.46 172.23 15.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.584 0.231 . . . . 0.0 111.372 -178.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -140.3 -157.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.827 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.2 ptp180 -155.71 -18.96 0.11 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.741 0.305 . . . . 0.0 111.482 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 34' ' ' SER . 0.7 OUTLIER -128.01 -177.43 4.13 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 -178.515 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.69 23.87 0.23 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.113 0.482 . . . . 0.0 111.403 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -79.22 -28.21 42.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.545 178.725 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.508 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -151.93 40.19 0.76 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.252 -0.975 . . . . 0.0 113.171 -177.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.8 m -70.76 108.32 3.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 123.666 0.274 . . . . 0.0 110.384 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.689 ' HA ' HG12 ' A' ' 23' ' ' ILE . 77.6 Cg_endo -81.65 -2.63 11.55 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.387 2.058 . . . . 0.0 111.253 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.413 ' CB ' ' HA ' ' A' ' 17' ' ' CYS . 2.5 mtt180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.056 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.781 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 3.5 p . . . . . 0 N--CA 1.447 -0.618 0 CA-C-O 120.346 0.117 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.781 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 71.9 Cg_endo -75.42 -26.36 10.34 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.586 2.191 . . . . 0.0 112.738 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.608 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.6 m -62.05 116.49 22.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -64.93 -38.85 27.3 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.993 2.462 . . . . 0.0 113.034 -176.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.68 -13.0 80.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.668 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.608 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 47.5 t -94.62 151.9 18.94 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.14 -16.44 17.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.025 -175.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.34 0.38 59.65 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.668 175.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -106.23 152.98 22.8 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 117.233 0.516 . . . . 0.0 110.516 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.95 -173.69 49.98 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.432 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.568 ' NE2' ' HB3' ' A' ' 30' ' ' HIS . 1.7 m-70 -150.27 157.86 43.53 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 122.944 0.497 . . . . 0.0 109.824 177.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.907 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -70.27 -31.31 46.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.019 0.438 . . . . 0.0 109.831 174.443 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.507 HG23 ' HB2' ' A' ' 26' ' ' ASN . 10.6 t -68.02 -25.31 65.33 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.054 177.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.89 49.08 44.28 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.514 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.507 ' HB2' HG23 ' A' ' 24' ' ' THR . 20.6 m-80 -144.79 5.86 1.19 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -174.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.494 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 97.7 m-85 -138.36 162.48 34.3 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.584 0.231 . . . . 0.0 110.965 -176.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.3 -38.96 18.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.762 0.315 . . . . 0.0 111.34 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.17 175.05 13.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.928 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.568 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 45.9 p-80 -145.24 -169.29 3.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.488 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.14 7.64 0.33 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -176.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.15 170.9 16.81 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.242 -0.183 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.409 ' HG ' ' OG1' ' A' ' 14' ' ' THR . 0.6 OUTLIER -77.56 41.56 0.33 Allowed 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.468 0.48 . . . . 0.0 111.761 -178.146 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.71 -45.26 4.06 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.855 0.36 . . . . 0.0 110.449 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.52 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -114.46 29.29 7.67 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.969 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.3 m -68.8 110.94 6.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.716 0.293 . . . . 0.0 111.514 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.907 ' HA ' HG12 ' A' ' 23' ' ' ILE . 72.3 Cg_endo -76.03 -21.6 13.84 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.144 1.896 . . . . 0.0 111.009 175.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.874 176.313 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.448 -0.533 0 CA-C-O 121.066 0.46 . . . . 0.0 112.032 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.664 ' HB2' HD13 ' A' ' 33' ' ' LEU . 27.5 Cg_exo -64.64 -31.47 59.46 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 123.329 2.686 . . . . 0.0 112.944 -179.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.59 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.8 m -64.97 118.2 46.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -174.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -65.27 -37.05 33.16 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.364 2.709 . . . . 0.0 112.839 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.56 -22.77 63.87 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.554 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.59 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 53.8 t -89.52 168.05 12.48 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.48 -17.48 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.8 0.334 . . . . 0.0 111.22 -177.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.24 -2.33 43.65 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.28 -0.962 . . . . 0.0 113.278 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 m -100.61 134.6 43.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 117.153 0.477 . . . . 0.0 110.619 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.49 -171.94 38.76 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.242 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.628 ' HB3' HG21 ' A' ' 24' ' ' THR . 1.9 m-70 -155.52 152.6 29.08 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.792 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -69.7 -29.27 40.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.221 0.534 . . . . 0.0 109.743 175.157 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.628 HG21 ' HB3' ' A' ' 22' ' ' HIS . 15.3 t -69.06 -22.16 64.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.194 178.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.2 41.98 98.12 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.071 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -136.23 8.84 3.2 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -137.41 -170.05 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.736 0.303 . . . . 0.0 111.24 -175.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.89 -42.01 3.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.505 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.03 179.44 7.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.489 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 44.5 p-80 -153.31 -168.29 2.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.608 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -156.7 11.86 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.263 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.542 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -144.53 169.96 16.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.601 178.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.664 HD13 ' HB2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -77.0 30.62 0.13 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.017 0.437 . . . . 0.0 111.845 -178.513 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.428 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -101.36 -17.85 16.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.862 -179.467 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.553 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -143.27 25.66 2.18 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.039 -1.077 . . . . 0.0 113.22 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.0 m -66.63 117.95 49.54 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.743 0.306 . . . . 0.0 111.335 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.792 ' HA ' HG12 ' A' ' 23' ' ' ILE . 56.3 Cg_endo -72.24 -12.1 27.41 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.617 2.212 . . . . 0.0 110.977 175.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.43 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.932 176.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.01 -39.61 13.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.238 0.542 . . . . 0.0 110.245 178.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.36 99.48 6.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.108 178.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.44 ' HB2' ' H ' ' A' ' 5' ' ' ALA . . . -94.14 -144.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.649 -178.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' H ' ' HB2' ' A' ' 4' ' ' ALA . . . -126.3 -174.54 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.689 0.281 . . . . 0.0 110.776 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -65.23 -27.78 68.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.113 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.26 33.62 0.55 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.938 177.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.506 ' HB2' ' HG ' ' A' ' 10' ' ' LEU . . . 58.64 -159.51 0.28 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.829 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -92.78 37.56 1.02 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.486 0.66 . . . . 0.0 109.577 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.506 ' HG ' ' HB2' ' A' ' 8' ' ' ALA . 13.9 mt -92.36 -28.51 16.87 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 175.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.613 ' HD3' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -142.36 -176.92 5.02 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 114.53 -1.214 . . . . 0.0 108.777 171.475 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.613 ' O ' ' HD3' ' A' ' 11' ' ' LYS . 3.5 p -93.46 167.93 13.02 Favored Pre-proline 0 C--N 1.31 -1.141 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.004 -172.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.403 ' HA ' ' HB1' ' A' ' 5' ' ' ALA . 51.3 Cg_exo -57.64 -44.31 42.67 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.096 2.531 . . . . 0.0 113.43 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.598 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.4 m -60.39 117.92 28.96 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 0.0 111.934 -176.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 25.1 Cg_exo -68.95 -32.77 21.33 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.189 2.593 . . . . 0.0 112.351 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.86 -23.28 64.47 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.721 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.598 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 48.6 t -88.91 161.97 16.37 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 174.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.62 -37.29 5.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.304 -176.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.6 -14.54 7.21 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.754 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -92.32 139.15 30.89 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 122.387 -0.478 . . . . 0.0 110.29 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.81 -169.97 30.28 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.33 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.606 ' C ' ' HB3' ' A' ' 37' ' ' PRO . 2.6 m-70 -159.03 153.23 23.74 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.862 0.865 . . . . 0.0 108.97 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.755 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -63.71 -26.55 40.93 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 173.821 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.413 ' N ' HG21 ' A' ' 23' ' ' ILE . 0.4 OUTLIER -64.3 -61.64 2.11 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 113.611 -1.631 . . . . 0.0 111.82 174.814 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.68 44.87 4.43 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -141.38 5.1 1.83 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.501 -0.35 . . . . 0.0 111.109 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.54 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 25.2 m-85 -137.71 -177.94 5.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.299 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.5 -40.24 8.35 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.36 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.17 174.74 13.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.94 0.4 . . . . 0.0 111.63 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.472 ' C ' ' HG2' ' A' ' 31' ' ' ARG . 46.2 p-80 -148.3 176.89 9.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.044 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.472 ' HG2' ' C ' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -143.53 22.39 1.83 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.984 0.421 . . . . 0.0 110.775 179.225 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 12.3 m -149.99 173.47 13.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.576 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.55 -2.83 34.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.966 0.413 . . . . 0.0 111.31 -178.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -21.12 46.03 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.042 0.448 . . . . 0.0 110.148 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.549 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -113.27 -8.2 19.86 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.109 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.644 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . 57.3 m -58.3 112.13 4.49 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-O 120.949 0.404 . . . . 0.0 111.816 -178.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.755 ' HA ' HG12 ' A' ' 23' ' ' ILE . 87.3 Cg_endo -76.12 -10.89 19.53 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.307 2.005 . . . . 0.0 110.882 174.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.23 21.17 13.85 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.238 175.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.644 ' HB1' ' HB2' ' A' ' 36' ' ' CYS . . . -55.75 101.4 0.05 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.898 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.809 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 48.88 36.19 7.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.763 -175.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.04 72.07 5.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.437 -177.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.4 m 68.94 -65.24 0.29 Allowed 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.788 0.68 . . . . 0.0 111.264 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.56 68.31 3.57 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.848 175.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.809 ' HB3' ' HA ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -80.48 -33.99 36.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.716 0.293 . . . . 0.0 111.276 -176.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -143.8 110.56 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.853 0.359 . . . . 0.0 110.683 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.545 -0.741 . . . . 0.0 109.867 179.176 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.75 0 N-CA-C 112.422 -0.271 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.578 ' HB3' ' HB3' ' A' ' 9' ' ' ASP . 0.9 OUTLIER -59.85 134.21 56.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.824 0.345 . . . . 0.0 110.81 179.603 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 ttt -81.95 -49.17 10.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.164 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.04 164.63 14.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.528 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.56 60.08 5.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.965 0.412 . . . . 0.0 112.003 -176.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.415 ' CD2' ' HB2' ' A' ' 9' ' ' ASP . 6.6 p80 -154.42 137.21 15.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.661 172.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -30.68 64.72 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -170.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.91 3.13 15.3 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.578 ' HB3' ' HB3' ' A' ' 2' ' ' SER . 1.3 t70 -84.96 46.89 1.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.38 0.609 . . . . 0.0 110.883 178.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.81 6.84 33.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.826 0.822 . . . . 0.0 109.363 175.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -143.63 -156.34 0.68 Allowed 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.356 -1.293 . . . . 0.0 108.348 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.6 p -82.41 166.74 34.73 Favored Pre-proline 0 C--N 1.313 -0.98 0 CA-C-O 120.993 0.425 . . . . 0.0 110.75 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.474 ' HB2' HD22 ' A' ' 33' ' ' LEU . 51.3 Cg_exo -61.62 -14.43 35.64 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 123.466 2.777 . . . . 0.0 112.842 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.573 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.8 m -82.18 122.41 79.43 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.225 -175.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 21.8 Cg_exo -74.3 -35.99 3.51 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.191 2.594 . . . . 0.0 112.804 -177.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.97 -15.54 80.45 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.154 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.573 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 47.9 t -102.28 153.75 19.69 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.39 -9.81 23.03 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.125 -0.359 . . . . 0.0 111.502 -172.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.95 -14.86 59.89 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.095 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.97 143.9 27.39 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.404 -0.468 . . . . 0.0 110.572 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.89 -173.8 35.23 Favored Glycine 0 C--O 1.222 -0.643 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.036 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.649 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.9 m-70 -156.67 150.31 24.61 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 176.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.42 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -68.54 -22.27 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.223 0.535 . . . . 0.0 109.858 175.853 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.755 HG21 ' HB2' ' A' ' 26' ' ' ASN . 6.0 t -82.23 -21.69 36.22 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.305 177.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.23 20.19 74.81 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.202 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.755 ' HB2' HG21 ' A' ' 24' ' ' THR . 38.5 m-80 -110.07 1.82 19.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -175.123 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.585 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 92.6 m-85 -132.63 -172.99 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 111.384 -175.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -106.64 -43.04 4.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.028 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.82 174.38 15.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.676 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.576 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 42.7 p-80 -148.23 172.33 14.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.928 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 mmt85 -134.45 9.66 3.71 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.88 169.82 15.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.59 0.233 . . . . 0.0 111.094 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.609 HD21 ' HE2' ' A' ' 40' ' ' LYS . 2.0 mt -77.68 0.63 22.66 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -177.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.25 -53.41 6.38 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -175.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.649 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -89.96 32.01 5.06 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.699 -174.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.2 m -78.46 116.04 56.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.793 0.296 . . . . 0.0 111.665 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HA ' HG12 ' A' ' 23' ' ' ILE . 56.1 Cg_endo -70.81 -20.24 30.14 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.231 1.954 . . . . 0.0 110.793 173.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.434 ' HD2' ' HA ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -99.87 42.74 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.919 172.338 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -44.0 117.2 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.724 -1.126 . . . . 0.0 112.241 -173.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.609 ' HE2' HD21 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -48.72 138.86 10.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.382 -1.281 . . . . 0.0 111.596 -179.357 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -138.11 -64.24 0.54 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.376 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.63 -21.27 60.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.981 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.89 133.01 2.67 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.529 ' HA ' ' HB2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -74.85 -61.27 1.94 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.699 -177.72 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -154.47 79.15 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.143 0.497 . . . . 0.0 110.678 177.129 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.26 0 CA-C-O 118.528 -0.749 . . . . 0.0 110.175 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.97 155.1 23.19 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 178.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.9 ptm -66.53 141.59 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.979 0.418 . . . . 0.0 110.284 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.88 -38.65 8.54 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.431 -178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.73 146.23 24.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.513 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -123.6 89.32 3.07 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.923 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.58 73.26 4.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.603 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -111.05 11.34 22.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.674 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -114.65 34.56 4.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.515 0.674 . . . . 0.0 110.374 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 mt -100.27 -61.46 1.36 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.889 173.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.2 126.65 51.48 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 170.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.4 p -57.47 160.52 7.16 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.525 -171.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.569 ' HB2' HD11 ' A' ' 33' ' ' LEU . 85.4 Cg_exo -53.55 -30.25 53.68 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.551 2.834 . . . . 0.0 114.004 -173.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.424 HG21 ' HE3' ' A' ' 40' ' ' LYS . 3.6 m -81.94 112.37 34.57 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.864 0.364 . . . . 0.0 111.7 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 34.4 Cg_exo -67.08 -29.8 39.49 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.064 2.509 . . . . 0.0 112.379 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.98 -2.75 88.26 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.269 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.544 ' SG ' ' HD2' ' A' ' 37' ' ' PRO . 44.4 t -89.39 158.44 17.76 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.98 -21.81 14.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.43 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.54 -31.35 6.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.437 174.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.544 ' HA ' ' HB3' ' A' ' 29' ' ' SER . 0.0 OUTLIER -97.22 71.96 2.42 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 122.3 -0.53 . . . . 0.0 111.602 -176.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.69 -174.04 45.09 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.299 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.653 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 2.4 m-70 -152.41 144.08 23.53 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.552 ' HB ' ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -76.28 -16.36 15.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 122.209 1.004 . . . . 0.0 108.794 175.375 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.548 ' OG1' ' HB3' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -67.75 -70.1 0.28 Allowed 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.612 177.876 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.79 13.7 10.07 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.243 -176.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -108.91 -16.84 14.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.51 -0.345 . . . . 0.0 110.917 -175.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.653 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 80.4 m-85 -132.7 149.29 52.31 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.658 -174.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.28 -34.16 42.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.85 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.544 ' HB3' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -155.6 173.09 17.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.522 0.201 . . . . 0.0 111.021 -177.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.404 ' HB2' ' H ' ' A' ' 31' ' ' ARG . 29.1 p-80 -142.11 -161.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.404 ' H ' ' HB2' ' A' ' 30' ' ' HIS . 11.5 ttp-105 -148.62 -27.68 0.31 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.292 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.56 -175.61 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.107 -179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 13' ' ' PRO . 1.6 mt -77.68 46.26 0.54 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.044 0.449 . . . . 0.0 112.021 -176.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.16 -8.99 15.63 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.025 0.44 . . . . 0.0 110.431 177.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.587 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -159.17 25.26 0.34 Allowed Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.47 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.6 m -62.65 109.79 2.75 Favored Pre-proline 0 C--O 1.233 0.203 0 O-C-N 123.736 0.315 . . . . 0.0 110.328 176.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.552 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 88.6 Cg_endo -81.81 -12.3 11.03 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.168 1.912 . . . . 0.0 112.088 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.431 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -113.73 31.33 6.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.626 175.587 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.75 88.75 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.739 -176.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.424 ' HE3' HG21 ' A' ' 14' ' ' THR . 0.2 OUTLIER 47.18 54.68 9.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.299 178.183 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HE2' ' O ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -81.62 -65.4 1.02 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.846 -179.858 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.83 41.05 1.52 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.298 174.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.45 -170.9 27.4 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.606 -172.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.17 15.91 20.32 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.312 0.556 . . . . 0.0 110.551 178.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.88 66.52 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.264 178.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--O 1.25 1.119 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.202 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 52.65 74.28 0.29 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.039 0.447 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.39 110.75 0.67 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.112 -177.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.72 62.69 2.43 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.711 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.47 -32.63 71.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.984 -174.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.73 102.12 13.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.724 0.297 . . . . 0.0 110.596 179.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.09 -49.33 58.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.335 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 68.08 113.01 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.958 0.786 . . . . 0.0 111.571 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -79.47 82.55 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.498 0.666 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.28 18.37 19.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 20.2 mmtm 68.98 141.1 0.04 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-N 114.42 -1.264 . . . . 0.0 112.187 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.582 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -105.33 -173.0 0.26 Allowed Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 114.215 -1.357 . . . . 0.0 110.373 -170.638 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.582 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 47.5 Cg_exo -58.55 -26.21 77.7 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.465 2.11 . . . . 0.0 112.759 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 2.0 m -92.86 111.26 50.48 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.747 -177.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -67.82 -30.54 33.47 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.842 2.361 . . . . 0.0 112.415 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.73 0.58 89.36 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.414 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.743 ' SG ' ' HD2' ' A' ' 37' ' ' PRO . 48.6 t -84.24 168.48 15.67 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 178.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.53 -10.2 15.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.498 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.41 -45.87 2.93 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.344 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.96 64.39 3.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.389 0.614 . . . . 0.0 111.262 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.08 -169.97 33.11 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.55 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.533 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 2.1 m-70 -160.28 146.75 15.65 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 123.296 0.638 . . . . 0.0 109.748 176.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.798 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -69.27 -31.15 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 175.159 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.447 HG22 ' HB2' ' A' ' 26' ' ' ASN . 12.6 t -74.6 -21.84 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.554 176.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.45 6.8 43.24 Favored Glycine 0 C--N 1.333 0.408 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.983 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.447 ' HB2' HG22 ' A' ' 24' ' ' THR . 27.3 m-80 -92.67 1.3 57.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.814 0.34 . . . . 0.0 111.519 -174.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.533 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 78.9 m-85 -129.09 -164.72 1.42 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.757 -176.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.4 -37.76 2.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.172 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.08 178.44 10.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.407 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.4 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 36.0 p-80 -155.53 -159.79 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -154.68 -16.51 0.12 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.873 0.368 . . . . 0.0 111.129 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.41 174.05 8.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.436 -178.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.89 7.08 5.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.894 0.378 . . . . 0.0 111.676 -177.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -14.39 58.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.48 177.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.425 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -135.58 11.09 4.32 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.187 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.3 m -67.19 116.8 39.99 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.808 0.304 . . . . 0.0 110.844 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.798 ' HA ' HG12 ' A' ' 23' ' ' ILE . 92.4 Cg_endo -78.84 -5.43 14.64 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.82 2.346 . . . . 0.0 111.794 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.498 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 1.0 OUTLIER -134.73 45.27 2.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.532 -177.752 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' C ' ' H ' ' A' ' 41' ' ' LYS . . . -59.04 147.52 34.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.008 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.49 43.78 0.25 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.14 0.495 . . . . 0.0 111.023 179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -139.87 86.52 2.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.721 -179.288 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.0 m 70.84 -62.2 0.45 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.771 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.84 43.94 3.25 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 121.27 -0.49 . . . . 0.0 113.009 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.451 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -75.09 -31.69 61.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.18 0.514 . . . . 0.0 110.14 178.327 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.95 87.96 2.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.64 176.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.461 ' H ' HG23 ' A' ' 46' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.798 -0.62 . . . . 0.0 110.073 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.94 -29.2 64.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.917 0.389 . . . . 0.0 110.739 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.36 74.37 1.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.249 0.547 . . . . 0.0 110.0 176.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.443 ' HB2' ' HB2' ' A' ' 9' ' ' ASP . . . -153.01 -142.13 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.876 -177.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' A' ' 9' ' ' ASP . . . -77.7 79.37 4.19 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 173.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.412 ' HB3' ' H ' ' A' ' 7' ' ' SER . 11.4 t-80 59.56 -105.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.081 -170.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.412 ' H ' ' HB3' ' A' ' 6' ' ' HIS . 0.7 OUTLIER -132.58 19.74 4.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.057 0.456 . . . . 0.0 110.353 178.604 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.53 -58.51 2.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.439 -176.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.505 ' HA ' ' HB3' ' A' ' 5' ' ' ALA . 7.2 t70 51.93 60.34 3.91 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.748 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.815 HD22 ' HG2' ' A' ' 31' ' ' ARG . 0.7 OUTLIER -81.71 -17.01 49.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.311 177.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 11' ' ' LYS . 7.0 mmtp 66.1 109.03 0.04 OUTLIER 'General case' 0 C--O 1.231 0.097 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.556 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.569 ' HB2' ' CD ' ' A' ' 13' ' ' PRO . 1.1 p -84.83 -175.76 0.68 Allowed Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.94 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.569 ' CD ' ' HB2' ' A' ' 12' ' ' CYS . 25.8 Cg_exo -68.49 -29.62 30.54 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.942 1.762 . . . . 0.0 113.279 -175.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.452 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 17.0 m -79.87 121.46 82.25 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.008 0.432 . . . . 0.0 112.128 -174.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.437 ' HG2' ' HB3' ' A' ' 44' ' ' LEU . 32.8 Cg_exo -65.87 -41.16 14.67 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.344 2.696 . . . . 0.0 112.643 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.79 -5.12 89.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.508 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.452 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 12.4 t -87.45 -165.84 1.41 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.17 -36.62 0.33 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.951 -177.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.75 -9.79 8.56 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.762 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -107.71 150.8 26.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.069 0.461 . . . . 0.0 111.033 179.382 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.2 -178.79 46.49 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.075 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.643 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 2.0 m-70 -153.83 150.87 28.88 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 176.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.433 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -70.04 -29.58 40.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 172.047 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.642 HG23 ' HB2' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -73.7 -13.81 61.04 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.674 174.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.11 10.66 34.94 Favored Glycine 0 C--N 1.336 0.552 0 N-CA-C 114.534 0.574 . . . . 0.0 114.534 172.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.642 ' HB2' HG23 ' A' ' 24' ' ' THR . 3.5 m-80 -107.64 13.75 26.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.395 -0.473 . . . . 0.0 111.955 -174.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.643 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 78.6 m-85 -141.43 175.47 9.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.42 -23.22 13.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.273 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.45 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -157.36 165.96 34.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.635 -179.475 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.519 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 25.6 p-80 -136.23 -157.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.053 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.815 ' HG2' HD22 ' A' ' 10' ' ' LEU . 3.8 mtm-85 -147.08 -29.9 0.35 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.059 -178.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.37 -169.28 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.744 0.307 . . . . 0.0 111.341 -175.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.449 HD23 ' H ' ' A' ' 40' ' ' LYS . 0.7 OUTLIER -76.59 -5.34 47.31 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 -176.743 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -8.4 59.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.983 176.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.554 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -125.74 -14.32 3.17 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.966 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.3 m -57.39 113.45 6.27 Favored Pre-proline 0 C--O 1.232 0.164 0 CA-C-N 116.768 0.284 . . . . 0.0 111.088 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HA ' HG12 ' A' ' 23' ' ' ILE . 58.4 Cg_endo -73.97 -20.94 18.92 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.148 1.899 . . . . 0.0 110.894 176.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.93 34.7 3.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.454 174.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.38 129.21 3.07 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.125 -0.943 . . . . 0.0 113.004 -173.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.536 ' HG3' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -72.91 103.2 3.66 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.629 177.266 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.99 -49.38 0.17 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.578 -178.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.53 32.08 4.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.384 174.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.93 159.81 8.15 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.682 -174.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.536 HD21 ' HG3' ' A' ' 40' ' ' LYS . 5.3 mt -83.1 1.67 39.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.101 0.451 . . . . 0.0 110.797 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.74 161.3 42.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.016 178.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.4 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.532 177.743 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.516 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.26 103.21 9.05 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.868 0.366 . . . . 0.0 110.046 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.94 155.18 25.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.555 -177.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.514 ' HB1' ' H ' ' A' ' 5' ' ' ALA . . . 54.56 -133.65 1.68 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 -178.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.514 ' H ' ' HB1' ' A' ' 4' ' ' ALA . . . -132.3 150.24 52.2 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -50.96 27.35 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.45 58.59 1.49 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.839 175.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -79.46 51.88 1.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.321 0.582 . . . . 0.0 111.384 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.592 ' HA ' ' HB3' ' A' ' 31' ' ' ARG . 2.9 t70 -90.37 55.2 2.97 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.192 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mt -88.78 -40.82 12.91 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.537 ' HD3' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -174.07 168.78 4.09 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.481 172.222 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.896 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 17.9 p -93.28 -178.33 0.83 Allowed Pre-proline 0 C--N 1.313 -1.016 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.333 -173.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.896 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 60.4 Cg_endo -71.23 -20.9 27.62 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.399 2.066 . . . . 0.0 112.476 177.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.56 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 28.6 m -72.5 118.67 69.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.114 0.483 . . . . 0.0 111.863 -177.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.484 ' HD2' ' HE2' ' A' ' 40' ' ' LYS . 27.8 Cg_exo -68.16 -29.04 33.57 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.27 2.647 . . . . 0.0 112.595 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.24 -8.79 83.12 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.607 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -81.88 172.65 13.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.906 0.384 . . . . 0.0 110.812 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.57 -9.81 12.6 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.621 170.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.33 -23.11 32.68 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.551 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.9 OUTLIER -102.47 150.72 23.09 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 122.456 -0.438 . . . . 0.0 111.391 -177.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.07 167.07 38.67 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.655 -0.702 . . . . 0.0 113.16 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.605 ' HB3' HG21 ' A' ' 24' ' ' THR . 1.6 m-70 -144.36 160.2 41.43 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.395 0.678 . . . . 0.0 110.083 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.646 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -68.16 -36.5 75.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 172.666 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.61 HG23 ' HB2' ' A' ' 26' ' ' ASN . 13.1 t -68.74 -18.42 64.22 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.524 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.97 32.21 79.22 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.65 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.61 ' HB2' HG23 ' A' ' 24' ' ' THR . 28.2 m-20 -125.95 10.17 7.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.876 0.37 . . . . 0.0 111.011 -173.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -134.51 171.23 14.6 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.777 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.57 -36.05 10.42 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.983 0.421 . . . . 0.0 110.726 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -159.73 178.35 9.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.816 -178.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.505 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 55.3 p-80 -156.99 165.73 35.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.28 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.592 ' HB3' ' HA ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -137.99 16.32 2.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.93 0.395 . . . . 0.0 110.676 176.116 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.81 160.11 40.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.347 178.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -78.27 33.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.039 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.77 -22.88 17.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.055 0.455 . . . . 0.0 110.38 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.501 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -140.53 28.14 2.45 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.034 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.428 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 34.5 m -62.48 116.29 22.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.646 ' HA ' HG12 ' A' ' 23' ' ' ILE . 72.8 Cg_endo -78.64 -8.4 15.89 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.452 2.101 . . . . 0.0 111.321 176.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.91 41.06 3.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.818 176.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.489 ' O ' ' HD2' ' A' ' 41' ' ' LYS . . . -58.13 144.31 40.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.211 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.484 ' HE2' ' HD2' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -53.83 98.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.79 -175.545 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.489 ' HD2' ' O ' ' A' ' 39' ' ' ALA . 1.6 mptt -90.44 -169.55 2.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.297 176.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -40.17 96.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.053 0.454 . . . . 0.0 109.853 176.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.21 78.71 0.27 Allowed Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.546 174.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -58.3 -35.98 72.65 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.999 0.428 . . . . 0.0 110.72 -178.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.45 ' HG3' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -114.68 154.48 28.36 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 171.801 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.346 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 112.056 -0.417 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.66 96.21 10.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.68 0.276 . . . . 0.0 111.072 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.452 ' HE3' HD21 ' A' ' 10' ' ' LEU . 2.8 ttm 69.01 -88.68 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.807 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.418 ' HB3' ' H ' ' A' ' 5' ' ' ALA . . . 64.53 -86.79 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.621 0.576 . . . . 0.0 110.697 -175.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.418 ' H ' ' HB3' ' A' ' 4' ' ' ALA . . . -117.09 78.16 1.19 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.27 106.63 3.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.546 -177.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.33 86.58 7.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.559 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.68 -151.73 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.631 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -104.54 68.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.481 0.658 . . . . 0.0 110.384 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.452 HD21 ' HE3' ' A' ' 3' ' ' MET . 0.9 OUTLIER -97.95 -30.92 12.44 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 176.211 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -99.46 -154.2 0.46 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.886 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' HB2' ' CD ' ' A' ' 13' ' ' PRO . 9.1 p -80.47 171.99 10.94 Favored Pre-proline 0 C--N 1.315 -0.917 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.682 -176.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 12.2 Cg_exo -75.65 -31.01 5.73 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 123.18 2.587 . . . . 0.0 112.79 -178.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 2.5 m -58.36 120.72 46.67 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -176.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 24.4 Cg_exo -69.0 -37.17 11.41 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.18 2.587 . . . . 0.0 112.791 -177.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.95 -1.48 88.81 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.78 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 37.9 t -98.14 158.68 15.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.661 0.267 . . . . 0.0 110.297 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.64 -14.91 16.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.802 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.18 -2.81 61.55 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.85 -0.691 . . . . 0.0 113.417 176.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -113.39 156.89 22.63 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.207 -0.584 . . . . 0.0 111.345 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.16 179.73 44.17 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.501 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.591 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 1.9 m-70 -144.01 158.32 43.78 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.806 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -68.48 -31.54 51.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 172.705 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.423 HG22 ' HB2' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -74.94 -20.72 59.57 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.018 176.441 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.08 -16.9 13.65 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 121.311 -0.471 . . . . 0.0 114.166 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.423 ' HB2' HG22 ' A' ' 24' ' ' THR . 15.6 m-20 -79.02 -1.26 34.73 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -172.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.591 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 72.2 m-85 -124.77 152.9 43.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.725 0.298 . . . . 0.0 110.454 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.53 -29.62 19.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.777 -176.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -163.03 173.68 13.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.741 -178.69 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -153.1 -171.9 4.07 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.95 12.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -178.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.441 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -147.83 164.58 33.22 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.334 -0.146 . . . . 0.0 110.815 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.92 72.42 3.49 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.453 0.644 . . . . 0.0 110.915 -178.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.19 -55.03 0.8 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.146 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.559 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -115.97 39.95 2.57 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.613 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.8 m -68.55 117.63 52.18 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.806 ' HA ' HG12 ' A' ' 23' ' ' ILE . 95.1 Cg_endo -76.19 -13.2 19.09 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.977 1.785 . . . . 0.0 110.12 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.482 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.4 OUTLIER -113.67 30.92 6.87 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.667 175.22 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.78 128.85 31.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.999 -178.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.565 ' HD3' ' HB3' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -53.32 115.26 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.957 -176.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.18 -71.78 0.72 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.861 -178.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.29 -19.69 22.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.624 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.27 94.25 0.19 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.815 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.565 ' HB3' ' HD3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -79.72 -53.0 7.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.382 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.36 131.18 53.57 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.849 171.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.715 -0.66 . . . . 0.0 110.402 -177.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 112.153 -0.379 . . . . 0.0 112.153 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.14 95.37 1.64 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.042 0.448 . . . . 0.0 110.68 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.0 tpp -112.48 121.25 44.28 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.604 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.88 54.33 2.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.697 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.88 145.36 19.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.343 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.4 ' HD1' ' HA ' ' A' ' 6' ' ' HIS . 0.0 OUTLIER -77.02 97.73 4.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.32 179.641 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.53 91.61 0.79 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.241 -176.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.37 -25.72 12.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.23 0.538 . . . . 0.0 109.966 178.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.795 ' HA ' ' HB3' ' A' ' 31' ' ' ARG . 3.1 t70 -83.33 43.03 0.85 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.462 177.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.429 ' HG ' ' N ' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -83.07 -37.0 24.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.386 177.32 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.658 ' HD3' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 178.73 156.96 0.47 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.399 -0.819 . . . . 0.0 108.974 174.202 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.658 ' O ' ' HD3' ' A' ' 11' ' ' LYS . 6.9 p -86.33 173.63 6.57 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.759 -170.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.503 ' HB2' HD12 ' A' ' 33' ' ' LEU . 46.7 Cg_exo -59.78 -27.93 86.09 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.396 2.731 . . . . 0.0 113.263 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.589 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 16.8 m -75.0 122.04 86.6 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.571 -177.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 25.9 Cg_exo -70.83 -35.15 9.94 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.939 2.426 . . . . 0.0 112.763 -176.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.25 -40.61 15.63 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.749 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.597 ' SG ' ' HD2' ' A' ' 37' ' ' PRO . 47.3 t -70.9 139.02 50.63 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 174.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.49 -35.44 24.89 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.184 -0.322 . . . . 0.0 110.912 -173.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.01 -12.15 9.89 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -95.37 136.79 35.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.972 0.415 . . . . 0.0 110.726 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.27 -175.09 33.03 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.143 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.544 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 1.9 m-70 -154.17 164.57 38.31 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.233 0.613 . . . . 0.0 109.622 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.707 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -72.6 -33.92 46.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.641 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.774 HG23 ' HB2' ' A' ' 26' ' ' ASN . 0.9 OUTLIER -76.48 -18.94 58.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.034 176.51 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.02 18.35 64.49 Favored Glycine 0 CA--C 1.523 0.586 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.812 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.774 ' HB2' HG23 ' A' ' 24' ' ' THR . 2.9 m-80 -106.66 10.7 30.94 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.544 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 67.9 m-85 -130.84 -177.85 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.989 0.423 . . . . 0.0 111.069 -176.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.54 -44.46 6.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.533 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 p -159.55 177.58 10.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.806 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.451 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 46.4 p-80 -148.73 170.47 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.699 179.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.795 ' HB3' ' HA ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -137.55 6.78 2.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.846 0.355 . . . . 0.0 110.805 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.94 166.69 21.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.136 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.503 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -77.53 15.37 0.81 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.774 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -8.55 45.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -178.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -139.69 20.51 2.91 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.145 -1.026 . . . . 0.0 113.169 -176.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.8 m -69.93 112.35 12.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 111.885 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.707 ' HA ' HG12 ' A' ' 23' ' ' ILE . 85.6 Cg_endo -80.37 -18.12 9.85 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.82 2.347 . . . . 0.0 112.356 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -126.6 46.37 2.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.12 0.486 . . . . 0.0 110.26 178.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.483 ' C ' ' HG2' ' A' ' 40' ' ' LYS . . . -62.63 112.81 2.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.337 -177.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.846 ' HG3' ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 47.54 -133.46 1.21 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.086 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.497 ' HB3' ' H ' ' A' ' 42' ' ' SER . 1.1 mptt -125.86 -138.77 0.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.497 ' H ' ' HB3' ' A' ' 41' ' ' LYS . 2.7 m -78.44 63.26 3.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.158 0.504 . . . . 0.0 110.545 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.36 91.92 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.229 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.846 ' HA ' ' HG3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -87.22 -7.52 57.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.976 0.417 . . . . 0.0 110.888 -176.375 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.7 27.87 7.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.36 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.784 -0.627 . . . . 0.0 110.52 -179.784 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.38 87.1 7.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.964 0.412 . . . . 0.0 110.497 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.3 tpt -76.01 132.87 40.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.166 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.89 76.79 2.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.109 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.11 -12.53 9.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.982 -173.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -128.93 107.6 9.75 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.59 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 5.1 m 67.14 -94.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.088 -174.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 44.1 -106.09 0.09 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -121.18 20.09 11.43 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.692 0.758 . . . . 0.0 110.694 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mt -100.11 -42.39 6.74 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.176 172.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.59 ' HB2' ' HA ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -111.82 122.81 48.8 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.205 177.864 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.531 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -67.3 172.77 3.32 Favored Pre-proline 0 C--N 1.313 -0.979 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.104 -178.647 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.531 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 12.4 Cg_endo -57.68 -32.75 95.43 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 123.211 2.608 . . . . 0.0 113.431 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -76.69 114.11 35.85 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -175.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.749 ' HG2' ' HB2' ' A' ' 44' ' ' LEU . 39.6 Cg_exo -66.93 -29.79 40.66 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.223 2.616 . . . . 0.0 112.808 -178.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.08 3.78 83.07 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.072 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 t -106.7 174.67 5.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.709 0.29 . . . . 0.0 110.22 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.51 -17.52 6.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.971 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.64 -4.35 46.73 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.471 -0.871 . . . . 0.0 113.085 176.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -110.3 146.04 36.39 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.789 0.328 . . . . 0.0 110.675 179.127 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.86 -174.89 43.05 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.263 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.662 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.6 m-70 -152.38 160.22 43.32 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 123.454 0.702 . . . . 0.0 109.359 177.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.798 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -68.81 -29.57 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.674 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 26' ' ' ASN . 1.3 t -76.46 -13.94 60.08 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.839 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.29 45.76 95.82 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.963 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.513 ' HB2' HG22 ' A' ' 24' ' ' THR . 15.8 m-80 -142.09 3.94 1.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.513 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 80.5 m-85 -130.11 155.15 46.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.068 0.461 . . . . 0.0 111.022 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.0 -38.74 35.92 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.239 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -159.64 175.04 13.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.044 0.45 . . . . 0.0 111.676 -176.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -154.04 -165.57 2.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.364 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HE ' ' HB3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -159.46 15.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 110.6 177.286 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.42 174.16 11.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.395 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -5.9 48.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -5.93 55.27 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.241 0.543 . . . . 0.0 110.229 176.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.662 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -128.36 -12.71 2.75 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.727 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.62 110.53 3.0 Favored Pre-proline 0 CA--C 1.53 0.181 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.798 ' HA ' HG12 ' A' ' 23' ' ' ILE . 57.8 Cg_endo -71.95 -19.11 27.23 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.419 2.079 . . . . 0.0 111.669 176.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.64 40.12 2.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.503 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.25 133.04 24.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.765 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.486 ' HG3' ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -88.27 158.22 18.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.109 179.396 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' HB3' ' H ' ' A' ' 42' ' ' SER . 2.2 mptt -111.77 -118.12 0.3 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.431 ' H ' ' HB3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -80.55 99.45 8.08 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.973 0.416 . . . . 0.0 110.268 177.388 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.2 108.87 3.15 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -175.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.749 ' HB2' ' HG2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.87 -64.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.679 0.276 . . . . 0.0 111.308 -175.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.635 ' H ' HD11 ' A' ' 44' ' ' LEU . 1.1 mtt180 -151.24 162.7 40.42 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.401 -0.809 . . . . 0.0 110.458 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.929 -0.468 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.04 36.85 3.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.918 0.389 . . . . 0.0 111.02 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.05 14.98 30.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.273 0.559 . . . . 0.0 110.391 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.64 103.46 15.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.169 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -113.77 54.36 0.75 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.305 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.95 -160.84 0.97 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.778 178.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 m 65.77 176.79 0.21 Allowed 'General case' 0 C--O 1.236 0.395 0 O-C-N 123.235 0.334 . . . . 0.0 110.404 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.6 46.95 24.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.494 0.664 . . . . 0.0 110.084 -174.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 3.2 t70 -90.87 58.68 3.89 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.382 -174.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.4 mt -100.14 -42.29 6.77 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.13 128.27 53.29 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.877 176.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.621 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 27.3 p -55.33 166.63 0.86 Allowed Pre-proline 0 C--N 1.309 -1.159 0 CA-C-N 113.699 -1.591 . . . . 0.0 111.375 178.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.802 ' HG2' ' HG ' ' A' ' 33' ' ' LEU . 37.2 Cg_endo -65.59 -28.27 53.03 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.733 2.289 . . . . 0.0 113.193 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.475 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 10.1 m -65.56 117.45 41.13 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -175.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 20.5 Cg_exo -72.61 -35.17 6.35 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.162 2.575 . . . . 0.0 112.622 -177.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.65 2.53 87.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.643 -178.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.485 ' HA ' ' CB ' ' A' ' 38' ' ' ARG . 8.5 t -84.33 -172.71 4.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.156 0.503 . . . . 0.0 110.958 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.34 -20.49 4.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.844 174.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.75 1.15 65.96 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.501 174.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.465 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.9 OUTLIER -117.21 156.58 27.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.08 0.44 . . . . 0.0 110.859 -179.758 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.431 ' O ' ' HD2' ' A' ' 22' ' ' HIS . . . 68.41 -168.18 42.71 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.97 -0.559 . . . . 0.0 113.345 178.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.676 ' C ' ' HB3' ' A' ' 37' ' ' PRO . 1.7 m170 -146.86 153.34 40.04 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 123.887 0.875 . . . . 0.0 109.512 176.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.77 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -61.73 -24.13 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 174.108 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -51.68 -56.72 12.08 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 112.699 -2.046 . . . . 0.0 112.268 169.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.68 19.24 32.5 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.649 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -127.65 9.26 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -175.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -125.31 167.96 14.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.797 0.332 . . . . 0.0 110.699 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.47 -29.47 11.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.741 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.465 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -167.35 173.68 8.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.085 0.469 . . . . 0.0 111.059 -179.12 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -152.51 172.76 16.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.548 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.49 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -136.87 -6.59 1.88 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.069 0.461 . . . . 0.0 110.866 -176.301 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.36 -179.47 5.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.802 ' HG ' ' HG2' ' A' ' 13' ' ' PRO . 4.3 mt -78.41 50.33 0.93 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.33 0.586 . . . . 0.0 110.853 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.36 -35.24 15.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.861 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.588 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -170.11 53.68 0.2 Allowed Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.274 -0.965 . . . . 0.0 113.004 -176.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.6 m -58.13 113.14 5.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.501 0.191 . . . . 0.0 110.577 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.77 ' HA ' HG12 ' A' ' 23' ' ' ILE . 94.3 Cg_endo -77.87 -13.73 15.82 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.337 2.024 . . . . 0.0 110.928 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.485 ' CB ' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -94.44 39.77 1.09 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.551 171.491 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.94 143.53 13.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.812 -174.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -51.98 -46.5 64.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.543 -177.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.475 ' HB3' ' H ' ' A' ' 42' ' ' SER . 0.1 OUTLIER -160.66 -117.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.239 176.872 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.475 ' H ' ' HB3' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -78.34 60.12 2.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.54 0.686 . . . . 0.0 110.013 177.05 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.76 -179.8 16.16 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.826 -172.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.438 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -106.02 -9.24 17.13 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.872 0.368 . . . . 0.0 110.55 -178.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.41 83.81 1.99 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.91 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.387 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 112.066 -0.414 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -73.67 -37.8 65.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.65 0.262 . . . . 0.0 111.276 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.7 37.45 25.15 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -177.75 0.05 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.34 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' A' ' 10' ' ' LEU . . . -82.9 -169.39 2.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.441 -177.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -80.43 55.22 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.267 0.556 . . . . 0.0 110.525 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.37 -164.61 0.93 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.462 -178.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.11 -2.66 49.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.259 0.552 . . . . 0.0 110.488 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -135.15 59.03 1.74 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.619 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.449 ' HB3' ' O ' ' A' ' 5' ' ' ALA . 1.3 pp -89.35 -20.38 24.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.06 176.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -116.0 -158.53 0.69 Allowed 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.962 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.685 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 3.1 p -87.44 173.19 6.83 Favored Pre-proline 0 C--N 1.313 -1.003 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.927 -172.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.685 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 51.9 Cg_endo -69.64 -35.19 13.47 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.826 2.351 . . . . 0.0 112.747 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.495 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 21.7 m -56.82 119.85 33.18 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -177.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -64.59 -44.37 11.17 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.061 2.507 . . . . 0.0 113.217 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.93 -15.05 79.89 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.91 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.509 ' SG ' ' HD2' ' A' ' 37' ' ' PRO . 49.5 t -86.94 153.51 21.53 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.92 -16.19 15.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.815 0.341 . . . . 0.0 111.025 -176.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.03 -1.32 56.38 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.248 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -104.78 151.96 23.14 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 122.469 -0.43 . . . . 0.0 110.306 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.13 -169.13 53.8 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.405 -177.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.651 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.4 m-70 -153.29 155.93 37.45 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.787 0.835 . . . . 0.0 109.831 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.598 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -68.5 -22.25 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.406 0.622 . . . . 0.0 110.087 175.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.888 HG21 ' HB2' ' A' ' 26' ' ' ASN . 8.2 t -81.65 -11.93 58.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.139 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.46 34.71 82.27 Favored Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.308 -0.472 . . . . 0.0 112.529 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.888 ' HB2' HG21 ' A' ' 24' ' ' THR . 14.8 m-20 -127.18 0.07 6.44 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -126.04 -175.82 3.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.991 0.424 . . . . 0.0 111.252 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.03 -36.03 6.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.12 173.7 12.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.948 0.404 . . . . 0.0 111.128 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.437 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 45.1 p-80 -149.66 -167.28 2.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.766 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -156.34 10.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.951 0.405 . . . . 0.0 111.291 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.439 ' C ' ' H ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -150.98 175.63 11.88 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.229 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.72 33.86 0.18 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.062 0.458 . . . . 0.0 111.571 -178.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -88.26 -28.71 20.92 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.611 179.086 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.651 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -150.6 39.68 0.84 Allowed Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.892 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.7 m -68.51 112.11 10.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.533 0.206 . . . . 0.0 110.933 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.598 ' HA ' HG12 ' A' ' 23' ' ' ILE . 73.6 Cg_endo -75.56 -13.85 20.15 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.451 2.101 . . . . 0.0 111.478 178.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -120.47 33.22 5.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.094 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.03 109.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.154 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.439 ' HB3' ' HB3' ' A' ' 44' ' ' LEU . 3.6 mttp 66.06 166.83 0.2 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.405 -178.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -96.39 175.64 6.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.752 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.21 126.37 24.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.298 0.374 . . . . 0.0 110.631 177.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 91.19 40.68 5.42 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.741 -175.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -70.4 -31.18 68.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.807 0.336 . . . . 0.0 110.987 -179.554 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.75 61.53 0.67 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.758 0.313 . . . . 0.0 110.589 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.494 -0.765 . . . . 0.0 109.966 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -108.48 172.83 6.61 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.83 0.348 . . . . 0.0 111.126 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.1 ttt -85.77 93.14 8.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.438 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.713 ' HB3' HD23 ' A' ' 10' ' ' LEU . . . -143.39 81.2 1.7 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.276 -179.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.54 -10.91 35.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.509 -176.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -119.58 -168.47 1.59 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.382 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.8 98.39 0.09 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.096 0.474 . . . . 0.0 111.222 -177.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.35 168.16 20.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.001 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -81.62 50.28 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.201 0.524 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.713 HD23 ' HB3' ' A' ' 4' ' ' ALA . 0.4 OUTLIER -93.02 2.33 56.84 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.736 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 11.0 mmtt 71.89 143.12 0.06 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.648 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.47 ' SG ' ' HA2' ' A' ' 19' ' ' GLY . 0.5 OUTLIER -73.53 175.61 3.43 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.739 177.344 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -53.43 -27.27 39.15 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 122.418 2.079 . . . . 0.0 113.669 -176.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.513 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 34.2 m -81.68 121.41 79.58 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 121.226 0.536 . . . . 0.0 111.725 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -66.54 -43.15 8.2 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.172 2.581 . . . . 0.0 112.757 -177.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.73 5.62 73.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.041 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.513 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 5.9 t -86.69 -178.65 6.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.912 0.387 . . . . 0.0 111.193 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.57 -25.68 3.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.829 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.47 ' HA2' ' SG ' ' A' ' 12' ' ' CYS . . . 106.52 -7.45 39.55 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.02 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -116.05 158.91 22.43 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 122.445 -0.444 . . . . 0.0 110.468 179.29 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.39 -171.88 55.17 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.994 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.593 ' HB3' HG21 ' A' ' 24' ' ' THR . 1.9 m-70 -156.62 164.31 38.33 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 123.219 0.607 . . . . 0.0 109.459 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.966 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -73.97 -28.05 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 172.688 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.593 HG21 ' HB3' ' A' ' 22' ' ' HIS . 13.9 t -73.02 -21.36 60.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.657 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.16 38.5 96.25 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.898 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -131.79 4.43 4.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.661 0.267 . . . . 0.0 111.462 -173.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.465 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 66.4 m-85 -129.88 -178.78 4.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.895 0.379 . . . . 0.0 111.019 -177.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.75 -41.75 6.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.704 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -155.87 177.61 11.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.028 -179.232 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.434 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 46.9 p-80 -157.02 -175.9 5.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.051 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -160.46 38.33 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.702 0.763 . . . . 0.0 109.88 171.889 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.32 167.07 29.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.493 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.2 mt -76.36 -7.38 54.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.026 0.441 . . . . 0.0 110.368 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.0 -7.83 58.41 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.023 174.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.565 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -124.15 -20.9 2.4 Favored Glycine 0 N--CA 1.44 -1.047 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.505 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.3 m -58.94 109.64 2.04 Favored Pre-proline 0 C--O 1.233 0.209 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -177.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.966 ' HA ' HG12 ' A' ' 23' ' ' ILE . 75.5 Cg_endo -79.61 -12.39 13.78 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.665 2.243 . . . . 0.0 112.23 177.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.92 30.32 7.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.264 -178.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.91 143.81 20.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.966 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.543 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -72.06 134.96 46.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.81 0.338 . . . . 0.0 110.268 -178.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' HB2' ' HE3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -93.45 -85.3 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.728 -177.515 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.18 -40.05 7.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.546 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.51 62.26 4.61 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.823 176.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.543 ' HA ' ' HB2' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -59.22 -60.41 3.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.898 0.38 . . . . 0.0 110.433 -178.773 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.68 70.62 1.17 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.235 0.54 . . . . 0.0 109.996 176.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.4 -0.81 . . . . 0.0 109.89 179.594 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.84 113.12 25.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.751 0.31 . . . . 0.0 110.329 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.82 156.41 21.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.479 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.64 -42.33 91.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.781 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.41 ' O ' ' HB2' ' A' ' 8' ' ' ALA . . . 55.42 -90.12 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.887 0.742 . . . . 0.0 112.01 176.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -67.82 -36.15 79.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.181 0.515 . . . . 0.0 110.21 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.71 31.95 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.229 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.639 ' HB3' ' HG ' ' A' ' 10' ' ' LEU . . . -105.04 148.46 26.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.732 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -98.71 45.5 1.01 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.484 0.659 . . . . 0.0 110.541 -178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.639 ' HG ' ' HB3' ' A' ' 8' ' ' ALA . 0.1 OUTLIER -95.18 2.8 55.08 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.445 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.13 -160.9 1.01 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.696 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -89.05 177.99 2.25 Favored Pre-proline 0 C--N 1.313 -1.015 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.3 -178.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.419 ' HB2' ' CD1' ' A' ' 33' ' ' LEU . 49.2 Cg_exo -62.85 -26.71 74.73 Favored 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 122.647 2.231 . . . . 0.0 113.293 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.473 HG21 ' HB2' ' A' ' 17' ' ' CYS . 87.8 m -71.94 119.82 76.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.958 0.409 . . . . 0.0 111.636 -178.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 33.3 Cg_exo -66.11 -35.08 34.92 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.052 2.501 . . . . 0.0 112.541 -176.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.69 7.55 81.6 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.742 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.473 ' HB2' HG21 ' A' ' 14' ' ' THR . 4.9 t -101.4 -175.1 2.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.861 0.363 . . . . 0.0 110.585 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.86 -22.31 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.03 -6.73 32.68 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.013 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -106.23 148.1 28.32 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.205 -0.585 . . . . 0.0 110.796 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.8 -174.45 42.7 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.82 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.588 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 1.9 m-70 -160.15 155.03 24.42 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.779 0.832 . . . . 0.0 109.549 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.871 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -70.77 -31.07 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.96 0.409 . . . . 0.0 110.07 175.794 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 26' ' ' ASN . 14.7 t -71.6 -24.63 61.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.267 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.19 38.36 91.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.005 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.427 ' H ' HG22 ' A' ' 24' ' ' THR . 36.0 m-20 -130.33 -5.38 4.3 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.588 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 27.6 m-85 -121.96 -177.73 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -178.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.23 -46.49 4.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.745 0.307 . . . . 0.0 111.235 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.03 170.65 19.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.229 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -146.92 -169.84 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.521 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.21 8.7 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.071 0.462 . . . . 0.0 111.162 177.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.71 171.32 14.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.273 177.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -77.03 11.22 1.89 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -13.68 46.27 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.758 0.313 . . . . 0.0 110.631 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -139.5 14.42 3.19 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.102 -1.047 . . . . 0.0 113.444 -176.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.413 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . 41.8 m -66.84 112.53 9.89 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.778 0.289 . . . . 0.0 110.958 178.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.871 ' HA ' HG12 ' A' ' 23' ' ' ILE . 68.3 Cg_endo -76.27 -9.46 19.0 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.685 2.257 . . . . 0.0 111.671 178.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.56 19.22 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.219 178.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.413 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . . . -59.62 110.43 1.13 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.552 178.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.9 ' HA ' ' HG ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 52.37 35.42 17.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.295 -176.106 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.93 103.6 0.15 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.676 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m 58.15 31.26 20.53 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.777 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.03 120.7 0.38 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.929 -176.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.9 ' HG ' ' HA ' ' A' ' 40' ' ' LYS . 68.4 mt -67.26 -27.83 67.54 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.588 -0.36 . . . . 0.0 111.553 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.9 ttp-105 -94.09 11.04 31.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.946 0.403 . . . . 0.0 111.24 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.112 177.843 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.909 -0.476 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -86.66 73.83 9.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.984 0.421 . . . . 0.0 110.87 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.1 mtp -92.43 -72.45 0.6 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.972 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.89 -72.38 0.65 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.923 175.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.415 ' HB2' ' H ' ' A' ' 6' ' ' HIS . . . -135.74 -102.22 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.609 174.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.415 ' H ' ' HB2' ' A' ' 5' ' ' ALA . 2.0 t60 -86.79 62.76 7.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.355 0.598 . . . . 0.0 109.934 174.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.79 72.8 10.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.513 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.31 156.4 42.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.86 -177.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 t70 55.01 37.79 29.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.029 177.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mt -100.35 -28.09 13.13 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 172.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.39 151.95 37.64 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.514 173.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.424 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 1.2 p -78.56 172.75 9.04 Favored Pre-proline 0 C--N 1.307 -1.263 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.44 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.424 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 52.8 Cg_exo -59.21 -38.96 82.81 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.014 2.476 . . . . 0.0 113.461 -177.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.6 m -69.13 116.09 38.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 0.0 111.989 -175.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.438 ' HB2' ' HG3' ' A' ' 45' ' ' ARG . 29.6 Cg_exo -66.95 -30.48 39.48 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.174 2.583 . . . . 0.0 112.436 -179.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.0 4.6 86.26 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.275 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.5 t -101.92 177.73 4.82 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.59 -16.96 4.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.386 -178.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.42 -3.65 50.62 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.354 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.94 148.25 28.86 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.362 -0.493 . . . . 0.0 110.817 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.3 -173.22 46.03 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.932 -178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.684 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 2.1 m-70 -155.97 166.8 32.39 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 122.962 0.505 . . . . 0.0 110.039 178.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.52 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -77.3 -28.77 16.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 172.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.567 HG23 ' H ' ' A' ' 26' ' ' ASN . 13.7 t -80.1 -27.35 39.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.605 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 34.19 85.39 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.172 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.567 ' H ' HG23 ' A' ' 24' ' ' THR . 12.5 m-20 -122.76 -3.5 8.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.723 0.297 . . . . 0.0 111.703 -176.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.606 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 36.9 m-85 -120.5 -168.61 1.67 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.207 -178.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.17 -48.5 3.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.543 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.49 175.24 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.446 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.486 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 49.8 p-80 -145.71 -174.56 4.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.643 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.41 10.42 0.43 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.912 0.387 . . . . 0.0 111.129 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.15 170.44 16.09 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.94 -3.12 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.945 0.402 . . . . 0.0 111.248 -177.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -13.68 59.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.421 0.629 . . . . 0.0 109.555 174.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.684 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -115.77 -18.26 6.12 Favored Glycine 0 N--CA 1.44 -1.055 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.948 -178.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.0 m -57.53 109.62 1.89 Allowed Pre-proline 0 C--O 1.234 0.243 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.52 ' HA ' HG12 ' A' ' 23' ' ' ILE . 74.3 Cg_endo -74.32 -7.05 19.25 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.377 2.051 . . . . 0.0 111.107 174.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.27 30.91 6.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.72 177.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -46.55 138.6 5.74 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.763 -175.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.59 ' HG2' ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -60.0 102.2 0.15 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.865 -177.439 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 -82.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.115 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -36.74 55.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.144 0.497 . . . . 0.0 110.103 177.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.61 -179.71 16.63 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.454 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.59 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -106.98 -31.23 8.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.191 0.52 . . . . 0.0 110.338 178.437 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.438 ' HG3' ' HB2' ' A' ' 15' ' ' PRO . 0.8 OUTLIER -103.5 62.7 0.78 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.713 177.015 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.98 -0.533 . . . . 0.0 110.428 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -119.34 104.4 10.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.919 0.39 . . . . 0.0 110.812 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 mtp -84.09 58.25 4.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.223 0.535 . . . . 0.0 110.628 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -155.48 79.94 1.03 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.302 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.26 -57.46 10.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.248 -176.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -127.25 25.72 6.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.888 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.96 159.55 28.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.793 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.12 -177.73 6.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -178.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.53 93.63 1.6 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.265 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.68 4.89 51.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.486 176.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' NZ ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 64.59 130.62 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.62 -1.173 . . . . 0.0 112.467 -179.097 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.63 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 25.2 p -62.12 164.38 11.01 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.849 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.758 ' HG2' ' HG ' ' A' ' 33' ' ' LEU . 19.3 Cg_endo -59.29 -29.0 89.15 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 123.137 2.558 . . . . 0.0 112.651 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.526 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 21.9 m -62.89 115.19 15.51 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.431 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -66.14 -46.78 4.06 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.888 2.392 . . . . 0.0 112.805 -176.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.29 3.5 77.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.002 -0.618 . . . . 0.0 113.345 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.526 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 0.5 OUTLIER -76.7 158.72 30.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.775 0.321 . . . . 0.0 111.348 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.36 -34.94 13.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.63 174.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.51 -17.74 56.24 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.896 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.72 77.42 1.13 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.651 0.725 . . . . 0.0 112.085 -175.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.6 -176.62 33.89 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.643 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.56 ' CD2' ' HB3' ' A' ' 30' ' ' HIS . 1.8 m-70 -144.38 148.15 34.32 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 175.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.463 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -67.92 -25.23 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.068 0.461 . . . . 0.0 109.998 176.317 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.586 HG22 ' H ' ' A' ' 26' ' ' ASN . 5.8 t -70.54 -18.57 62.93 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.356 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.04 73.34 Favored Glycine 0 C--N 1.334 0.467 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.732 177.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.586 ' H ' HG22 ' A' ' 24' ' ' THR . 19.8 m-20 -120.79 -1.18 10.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.844 0.354 . . . . 0.0 111.2 -176.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -125.82 170.1 11.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.505 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.84 -28.95 10.84 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.917 0.389 . . . . 0.0 110.642 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.9 179.31 9.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.56 ' HB3' ' CD2' ' A' ' 22' ' ' HIS . 29.8 p-80 -161.84 164.79 28.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -146.75 19.24 1.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.697 0.284 . . . . 0.0 111.475 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.23 166.19 26.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.597 0.237 . . . . 0.0 110.612 178.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.758 ' HG ' ' HG2' ' A' ' 13' ' ' PRO . 2.7 mt -78.27 70.32 4.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.185 0.517 . . . . 0.0 110.826 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 m -132.92 -41.38 0.92 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.711 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.494 ' HA3' ' ND1' ' A' ' 22' ' ' HIS . . . -139.19 57.65 0.62 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.779 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.4 m -75.58 117.81 66.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.554 0.216 . . . . 0.0 111.034 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.463 ' HA ' HG12 ' A' ' 23' ' ' ILE . 71.5 Cg_endo -77.89 -23.91 8.95 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.724 2.283 . . . . 0.0 111.349 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.521 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -114.22 43.37 1.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.641 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.51 99.28 0.1 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.91 -174.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.72 -147.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.812 178.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.41 ' H ' ' HB3' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -169.27 177.77 4.61 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.08 -45.7 93.65 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.4 66.23 0.28 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 171.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.41 ' HB3' ' H ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -61.55 131.41 50.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.685 -173.858 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.9 21.9 13.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.728 177.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.191 -0.909 . . . . 0.0 109.755 176.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 53.81 77.35 0.19 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.858 0.463 . . . . 0.0 111.566 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -120.89 132.67 55.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.499 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.52 97.97 6.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.09 0.471 . . . . 0.0 110.292 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -105.02 161.48 14.18 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.87 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -126.12 55.98 1.45 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.227 0.537 . . . . 0.0 109.708 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.8 -32.2 17.97 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.017 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.98 155.04 17.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.052 175.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -158.61 40.99 0.24 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.376 0.608 . . . . 0.0 110.219 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.36 -29.73 27.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.082 175.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -135.62 -154.22 0.56 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.296 175.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.2 p -75.49 167.77 33.77 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-O 120.834 0.35 . . . . 0.0 111.74 -177.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -65.37 -37.98 28.34 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.289 2.66 . . . . 0.0 113.552 -176.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.454 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 4.4 m -64.16 119.11 52.92 Favored Pre-proline 0 N--CA 1.464 0.274 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -174.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 25.2 Cg_exo -69.51 -33.04 18.37 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.364 2.709 . . . . 0.0 112.522 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.54 4.53 85.58 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.201 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.9 t -100.43 173.4 6.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.5 -14.4 8.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.595 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.67 -4.62 61.69 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.364 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.14 156.53 18.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 117.038 0.419 . . . . 0.0 110.665 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.17 -168.71 54.75 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.364 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.61 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.5 m-70 -155.78 158.83 38.78 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 123.503 0.721 . . . . 0.0 109.801 176.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.727 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -67.83 -29.84 46.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.211 0.529 . . . . 0.0 109.587 174.151 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.874 HG22 ' HB2' ' A' ' 26' ' ' ASN . 3.1 t -79.97 -11.63 59.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.954 177.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.94 18.98 58.3 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.228 -0.442 . . . . 0.0 113.583 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.874 ' HB2' HG22 ' A' ' 24' ' ' THR . 39.9 m-20 -108.26 2.02 22.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.511 -0.405 . . . . 0.0 111.694 -174.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.567 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 92.7 m-85 -132.16 154.73 49.24 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.933 -176.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.15 -39.12 50.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.58 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.66 171.56 20.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.794 0.331 . . . . 0.0 111.062 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.519 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 45.4 p-80 -143.62 -170.19 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.063 177.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mmm-85 -146.69 -10.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.662 0.268 . . . . 0.0 111.486 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.472 ' C ' ' H ' ' A' ' 34' ' ' SER . 0.1 OUTLIER -133.05 173.89 10.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.817 -175.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.445 ' O ' ' HD3' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -76.58 23.03 0.16 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.284 0.564 . . . . 0.0 111.27 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.472 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -86.51 -17.77 33.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.825 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.61 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -153.28 30.09 0.79 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.115 -1.041 . . . . 0.0 113.614 -176.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.6 m -66.0 113.69 13.33 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 120.591 0.234 . . . . 0.0 110.69 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.727 ' HA ' HG12 ' A' ' 23' ' ' ILE . 73.1 Cg_endo -76.74 -8.27 17.96 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.374 2.049 . . . . 0.0 111.146 177.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.23 37.54 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.747 177.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.62 126.07 23.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.476 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.2 pttm -73.81 51.27 0.38 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -173.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt 49.91 -115.25 0.8 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.496 0.718 . . . . 0.0 112.515 173.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -66.83 118.03 9.78 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.981 0.42 . . . . 0.0 110.736 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.9 46.49 29.04 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.133 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.469 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -60.59 -42.06 95.97 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.481 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.445 ' HD3' ' O ' ' A' ' 33' ' ' LEU . 4.3 mtm-85 -122.53 -83.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.949 169.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.369 175.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 112.333 -0.307 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.93 -59.8 2.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.604 0.24 . . . . 0.0 110.645 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.3 tpt -86.94 -56.86 3.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.888 0.375 . . . . 0.0 111.262 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.39 178.81 5.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.456 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.26 82.11 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.053 0.454 . . . . 0.0 109.909 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.88 140.23 14.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.536 -175.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.44 -35.46 75.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.035 0.445 . . . . 0.0 109.907 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.52 152.22 51.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.989 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -115.64 38.49 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.409 0.623 . . . . 0.0 110.416 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 74.7 mt -86.48 -24.85 25.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.531 ' HE2' ' O ' ' A' ' 18' ' ' ASP . 4.3 mmtp -128.41 174.71 9.1 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.5 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.84 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 21.7 p -90.16 174.8 4.32 Favored Pre-proline 0 C--N 1.308 -1.233 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.91 178.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.84 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 27.5 Cg_endo -62.89 -25.05 74.25 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.955 2.436 . . . . 0.0 112.728 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 93.8 m -78.06 111.63 19.68 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.096 -176.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -67.13 -29.54 39.57 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.122 2.548 . . . . 0.0 112.698 -179.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.78 2.18 85.75 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.984 -177.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.566 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -78.23 162.09 26.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.979 0.419 . . . . 0.0 111.945 -179.002 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.531 ' O ' ' HE2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -94.42 -31.95 13.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.736 172.718 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.88 -16.33 59.65 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 121.112 -0.566 . . . . 0.0 113.654 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.87 77.78 1.12 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 117.429 0.614 . . . . 0.0 111.374 -176.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.99 -172.72 35.18 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.316 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.634 ' CD2' ' HB3' ' A' ' 30' ' ' HIS . 1.8 m-70 -146.29 174.91 10.92 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.647 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -83.29 -35.49 11.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 172.567 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.2 t -59.85 -35.8 75.52 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.061 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.59 13.38 70.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.883 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -108.51 0.36 20.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.913 -0.169 . . . . 0.0 111.443 -176.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -126.45 166.92 16.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.754 0.311 . . . . 0.0 111.419 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.28 -22.41 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.13 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 p -157.84 176.55 12.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.271 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.634 ' HB3' ' CD2' ' A' ' 22' ' ' HIS . 31.1 p-80 -161.07 170.57 20.2 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.84 15.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 111.378 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.07 168.95 22.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.338 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.585 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -77.87 14.82 0.99 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.875 0.369 . . . . 0.0 111.55 -178.499 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -18.44 51.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.044 0.449 . . . . 0.0 110.886 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.544 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -152.93 36.85 0.77 Allowed Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.201 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.585 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 9.2 m -69.82 114.76 27.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 123.588 0.228 . . . . 0.0 111.104 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.647 ' HA ' HG12 ' A' ' 23' ' ' ILE . 56.7 Cg_endo -74.94 -16.29 20.45 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.595 2.197 . . . . 0.0 111.796 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.566 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -126.06 31.78 5.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.093 177.769 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.39 120.05 6.05 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.303 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.66 ' HG3' ' HA ' ' A' ' 44' ' ' LEU . 31.4 mmtm 56.54 -99.47 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.248 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.501 ' HB3' ' H ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -169.39 -113.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.238 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.501 ' H ' ' HB3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -93.62 53.28 1.83 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.355 0.598 . . . . 0.0 110.244 177.342 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.21 131.22 2.81 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.485 -176.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.66 ' HA ' ' HG3' ' A' ' 40' ' ' LYS . 3.7 mt -84.04 -27.15 28.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.773 0.321 . . . . 0.0 111.449 -175.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.9 ptt85 -89.97 15.33 10.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.784 -0.626 . . . . 0.0 110.521 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m 54.99 59.04 4.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.116 0.484 . . . . 0.0 111.509 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.572 ' HB3' ' HA ' ' A' ' 7' ' ' SER . 0.6 OUTLIER -117.97 17.11 14.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -178.801 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.416 ' HB3' ' H ' ' A' ' 5' ' ' ALA . . . 58.28 -106.96 0.34 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.817 177.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.416 ' H ' ' HB3' ' A' ' 4' ' ' ALA . . . -105.85 -36.93 6.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.047 0.451 . . . . 0.0 111.068 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -85.94 62.91 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.069 0.461 . . . . 0.0 110.623 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.572 ' HA ' ' HB3' ' A' ' 3' ' ' MET . 0.0 OUTLIER -72.85 -45.61 57.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.099 178.448 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -122.83 149.73 43.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.272 175.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -87.15 70.16 10.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.479 0.656 . . . . 0.0 109.937 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.18 -25.21 42.8 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.947 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.98 103.34 12.36 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.941 0.877 . . . . 0.0 111.793 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.523 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -57.13 171.63 0.44 Allowed Pre-proline 0 C--N 1.313 -0.999 0 CA-C-N 113.48 -1.691 . . . . 0.0 112.166 176.483 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 11.8 Cg_endo -55.79 -35.73 94.1 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.233 2.622 . . . . 0.0 113.438 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 m -69.66 111.76 9.97 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.692 0.282 . . . . 0.0 111.665 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.498 ' HB2' HG21 ' A' ' 46' ' ' VAL . 26.5 Cg_exo -68.06 -25.45 37.88 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.875 2.384 . . . . 0.0 112.211 -178.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.97 -11.08 79.69 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.235 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.413 ' HA ' ' CB ' ' A' ' 38' ' ' ARG . 48.1 t -92.6 158.59 15.89 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.29 -16.33 16.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 0.0 110.779 -177.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.47 ' HA2' ' SG ' ' A' ' 12' ' ' CYS . . . 97.4 -3.4 61.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.224 175.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.22 162.86 13.68 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.497 -0.413 . . . . 0.0 110.716 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.42 -165.35 47.0 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.711 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.535 ' C ' ' HB3' ' A' ' 37' ' ' PRO . 1.8 m-70 -154.7 156.34 36.22 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.689 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -65.88 -23.23 31.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 173.625 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -61.98 2.22 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 113.723 -1.581 . . . . 0.0 111.9 173.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.99 26.21 8.55 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.644 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -123.36 -0.39 8.78 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -175.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -126.27 175.17 8.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.844 0.354 . . . . 0.0 111.218 -174.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.06 -37.67 9.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.607 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.46 172.23 15.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.584 0.231 . . . . 0.0 111.372 -178.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -140.3 -157.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.827 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 12' ' ' CYS . 1.2 ptp180 -155.71 -18.96 0.11 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.741 0.305 . . . . 0.0 111.482 178.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.431 ' C ' ' H ' ' A' ' 34' ' ' SER . 0.7 OUTLIER -128.01 -177.43 4.13 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 -178.515 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.69 23.87 0.23 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.113 0.482 . . . . 0.0 111.403 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -79.22 -28.21 42.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.545 178.725 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.508 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -151.93 40.19 0.76 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.252 -0.975 . . . . 0.0 113.171 -177.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.8 m -70.76 108.32 3.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 123.666 0.274 . . . . 0.0 110.384 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.689 ' HA ' HG12 ' A' ' 23' ' ' ILE . 77.6 Cg_endo -81.65 -2.63 11.55 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.387 2.058 . . . . 0.0 111.253 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.413 ' CB ' ' HA ' ' A' ' 17' ' ' CYS . 2.5 mtt180 -121.86 20.5 10.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.056 178.018 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.58 109.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.676 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.31 30.04 17.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.018 -176.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.13 -89.17 0.28 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.211 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.67 48.19 1.49 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.447 177.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.43 109.23 0.64 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.71 -51.47 2.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.817 0.341 . . . . 0.0 110.882 -174.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -120.59 82.26 1.88 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.226 0.536 . . . . 0.0 110.594 -179.797 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.498 HG21 ' HB2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.878 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.443 ' HB3' ' HB2' ' A' ' 5' ' ' ALA . 1.6 m 58.42 59.54 2.94 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.088 0.471 . . . . 0.0 111.35 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.97 -13.18 42.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.212 0.53 . . . . 0.0 110.557 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.6 35.26 0.41 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.93 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.443 ' HB2' ' HB3' ' A' ' 2' ' ' SER . . . -87.85 52.11 2.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.635 -179.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.29 163.37 18.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.583 178.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.3 -170.26 2.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.33 16.36 0.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.017 0.437 . . . . 0.0 111.722 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -94.94 34.8 1.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.631 0.729 . . . . 0.0 110.235 177.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.42 22.44 8.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.026 175.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.2 -151.37 0.47 Allowed 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.63 -173.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.781 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 3.5 p -94.74 177.61 1.79 Allowed Pre-proline 0 C--N 1.316 -0.884 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -174.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.781 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 71.9 Cg_endo -75.42 -26.36 10.34 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.586 2.191 . . . . 0.0 112.738 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.608 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.6 m -62.05 116.49 22.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.202 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -64.93 -38.85 27.3 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.993 2.462 . . . . 0.0 113.034 -176.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.68 -13.0 80.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.668 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.608 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 47.5 t -94.62 151.9 18.94 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.14 -16.44 17.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.025 -175.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.34 0.38 59.65 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.668 175.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -106.23 152.98 22.8 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 117.233 0.516 . . . . 0.0 110.516 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.95 -173.69 49.98 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.432 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.568 ' NE2' ' HB3' ' A' ' 30' ' ' HIS . 1.7 m-70 -150.27 157.86 43.53 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 122.944 0.497 . . . . 0.0 109.824 177.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.907 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -70.27 -31.31 46.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.019 0.438 . . . . 0.0 109.831 174.443 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.507 HG23 ' HB2' ' A' ' 26' ' ' ASN . 10.6 t -68.02 -25.31 65.33 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.054 177.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.89 49.08 44.28 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.514 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.507 ' HB2' HG23 ' A' ' 24' ' ' THR . 20.6 m-80 -144.79 5.86 1.19 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -174.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.494 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 97.7 m-85 -138.36 162.48 34.3 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.584 0.231 . . . . 0.0 110.965 -176.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.3 -38.96 18.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.762 0.315 . . . . 0.0 111.34 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.17 175.05 13.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.928 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.568 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 45.9 p-80 -145.24 -169.29 3.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.488 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.14 7.64 0.33 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -176.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.15 170.9 16.81 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.242 -0.183 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.409 ' HG ' ' OG1' ' A' ' 14' ' ' THR . 0.6 OUTLIER -77.56 41.56 0.33 Allowed 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.468 0.48 . . . . 0.0 111.761 -178.146 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.71 -45.26 4.06 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.855 0.36 . . . . 0.0 110.449 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.52 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -114.46 29.29 7.67 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.969 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.3 m -68.8 110.94 6.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.716 0.293 . . . . 0.0 111.514 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.907 ' HA ' HG12 ' A' ' 23' ' ' ILE . 72.3 Cg_endo -76.03 -21.6 13.84 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.144 1.896 . . . . 0.0 111.009 175.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -108.74 40.14 1.86 Allowed 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.874 176.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.4 149.53 10.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.888 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.75 115.06 0.6 Allowed 'General case' 0 C--O 1.236 0.365 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.949 -178.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.55 -158.85 0.67 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.528 -177.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.48 -32.52 73.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -176.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -98.97 -17.77 26.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.51 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.28 77.81 1.56 Allowed 'General case' 0 C--N 1.322 -0.599 0 O-C-N 122.867 -0.196 . . . . 0.0 110.849 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER 54.49 67.87 0.95 Allowed 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.649 0.593 . . . . 0.0 111.438 179.297 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.007 177.555 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 N-CA-C 111.848 -0.501 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.519 ' HA ' ' HB2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -90.82 119.31 30.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.765 0.317 . . . . 0.0 110.674 179.413 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 ttt -87.87 -45.64 10.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.541 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.56 -1.24 11.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.107 0.48 . . . . 0.0 111.157 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -105.47 -179.64 4.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.475 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.87 173.12 11.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.41 179.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.29 68.22 8.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.214 0.531 . . . . 0.0 111.147 -178.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.43 ' C ' ' H ' ' A' ' 10' ' ' LEU . . . -145.37 176.36 9.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.583 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -79.8 36.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.461 0.648 . . . . 0.0 111.614 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.534 ' HG ' ' HG3' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -92.79 -17.81 23.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.801 172.159 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.534 ' HG3' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -132.44 -162.83 1.27 Allowed 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.775 178.21 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.4 p -69.63 167.87 20.55 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 121.066 0.46 . . . . 0.0 112.032 -176.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.664 ' HB2' HD13 ' A' ' 33' ' ' LEU . 27.5 Cg_exo -64.64 -31.47 59.46 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 123.329 2.686 . . . . 0.0 112.944 -179.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.59 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.8 m -64.97 118.2 46.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -174.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_exo -65.27 -37.05 33.16 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.364 2.709 . . . . 0.0 112.839 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.56 -22.77 63.87 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.554 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.59 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 53.8 t -89.52 168.05 12.48 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.519 ' HB2' ' HA ' ' A' ' 2' ' ' SER . 0.3 OUTLIER -120.48 -17.48 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.8 0.334 . . . . 0.0 111.22 -177.615 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.24 -2.33 43.65 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.28 -0.962 . . . . 0.0 113.278 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 m -100.61 134.6 43.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 117.153 0.477 . . . . 0.0 110.619 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.49 -171.94 38.76 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.242 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.628 ' HB3' HG21 ' A' ' 24' ' ' THR . 1.9 m-70 -155.52 152.6 29.08 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.792 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -69.7 -29.27 40.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.221 0.534 . . . . 0.0 109.743 175.157 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.628 HG21 ' HB3' ' A' ' 22' ' ' HIS . 15.3 t -69.06 -22.16 64.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.194 178.209 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.2 41.98 98.12 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.071 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -136.23 8.84 3.2 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -137.41 -170.05 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.736 0.303 . . . . 0.0 111.24 -175.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.89 -42.01 3.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.505 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.03 179.44 7.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.489 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 44.5 p-80 -153.31 -168.29 2.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.608 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -156.7 11.86 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.263 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.542 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -144.53 169.96 16.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.601 178.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.664 HD13 ' HB2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -77.0 30.62 0.13 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.017 0.437 . . . . 0.0 111.845 -178.513 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.428 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.3 OUTLIER -101.36 -17.85 16.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.862 -179.467 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.553 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -143.27 25.66 2.18 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.039 -1.077 . . . . 0.0 113.22 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.0 m -66.63 117.95 49.54 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.743 0.306 . . . . 0.0 111.335 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.792 ' HA ' HG12 ' A' ' 23' ' ' ILE . 56.3 Cg_endo -72.24 -12.1 27.41 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.617 2.212 . . . . 0.0 110.977 175.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.82 43.12 2.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.932 176.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.94 139.78 26.61 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.23 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.659 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -61.73 -25.37 67.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.722 -174.719 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.496 ' HA ' HD22 ' A' ' 44' ' ' LEU . 0.5 OUTLIER 65.59 -81.38 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.133 0.573 . . . . 0.0 110.959 -179.662 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.83 95.57 0.53 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 175.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.409 ' O ' ' HE2' ' A' ' 40' ' ' LYS . . . 71.3 60.36 4.47 Favored Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -172.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.659 ' HA ' ' HB2' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -77.26 -42.11 38.38 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.512 -174.551 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.437 ' HB2' HD11 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -129.74 38.3 3.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.021 0.439 . . . . 0.0 111.35 -178.29 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.794 -0.622 . . . . 0.0 109.445 174.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 51.3 Cg_exo -57.64 -44.31 42.67 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.096 2.531 . . . . 0.0 113.43 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.631 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.4 m -60.39 117.92 28.96 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 0.0 111.934 -176.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 25.1 Cg_exo -68.95 -32.77 21.33 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.189 2.593 . . . . 0.0 112.351 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.86 -23.28 64.47 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.721 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.631 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 48.6 t -88.91 161.97 16.37 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 174.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.62 -37.29 5.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.304 -176.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.6 -14.54 7.21 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.754 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -92.32 139.15 30.89 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 122.387 -0.478 . . . . 0.0 110.29 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.81 -169.97 30.28 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.33 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.596 ' C ' ' HB3' ' A' ' 37' ' ' PRO . 2.6 m-70 -159.03 153.23 23.74 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.862 0.865 . . . . 0.0 108.97 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.814 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -63.71 -26.55 40.93 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 173.821 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -61.64 2.11 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 113.611 -1.631 . . . . 0.0 111.82 174.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.68 44.87 4.43 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -141.38 5.1 1.83 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.501 -0.35 . . . . 0.0 111.109 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.546 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 25.2 m-85 -137.71 -177.94 5.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.299 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.5 -40.24 8.35 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.36 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.17 174.74 13.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.94 0.4 . . . . 0.0 111.63 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.477 ' C ' ' HG2' ' A' ' 31' ' ' ARG . 46.2 p-80 -148.3 176.89 9.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.044 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HG2' ' C ' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -143.53 22.39 1.83 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.984 0.421 . . . . 0.0 110.775 179.225 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.442 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 12.3 m -149.99 173.47 13.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.576 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.55 -2.83 34.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.966 0.413 . . . . 0.0 111.31 -178.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -21.12 46.03 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.042 0.448 . . . . 0.0 110.148 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.544 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -113.27 -8.2 19.86 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.109 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.3 m -58.3 112.13 4.49 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-O 120.949 0.404 . . . . 0.0 111.816 -178.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.814 ' HA ' HG12 ' A' ' 23' ' ' ILE . 87.3 Cg_endo -76.12 -10.89 19.53 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.307 2.005 . . . . 0.0 110.882 174.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.431 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.238 175.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.445 -0.709 0 CA-C-O 120.993 0.425 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HB2' ' HG ' ' A' ' 33' ' ' LEU . 51.3 Cg_exo -61.62 -14.43 35.64 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 123.466 2.777 . . . . 0.0 112.842 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.595 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.8 m -82.18 122.41 79.43 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.225 -175.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 21.8 Cg_exo -74.3 -35.99 3.51 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.191 2.594 . . . . 0.0 112.804 -177.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.97 -15.54 80.45 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.154 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.595 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 47.9 t -102.28 153.75 19.69 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.39 -9.81 23.03 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.125 -0.359 . . . . 0.0 111.502 -172.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.95 -14.86 59.89 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.095 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.97 143.9 27.39 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.404 -0.468 . . . . 0.0 110.572 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.89 -173.8 35.23 Favored Glycine 0 C--O 1.222 -0.643 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.036 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.66 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.9 m-70 -156.67 150.31 24.61 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 176.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.482 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -68.54 -22.27 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.223 0.535 . . . . 0.0 109.858 175.853 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.674 HG23 ' H ' ' A' ' 26' ' ' ASN . 6.0 t -82.23 -21.69 36.22 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.305 177.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.23 20.19 74.81 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.202 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.674 ' H ' HG23 ' A' ' 24' ' ' THR . 38.5 m-80 -110.07 1.82 19.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -175.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.599 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 92.6 m-85 -132.63 -172.99 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 111.384 -175.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -106.64 -43.04 4.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.028 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.82 174.38 15.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.676 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.59 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 42.7 p-80 -148.23 172.33 14.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.928 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 mmt85 -134.45 9.66 3.71 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.88 169.82 15.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.59 0.233 . . . . 0.0 111.094 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.485 HD23 ' OG1' ' A' ' 14' ' ' THR . 2.0 mt -77.68 0.63 22.66 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -177.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.25 -53.41 6.38 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -175.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.66 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -89.96 32.01 5.06 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.699 -174.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.2 m -78.46 116.04 56.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.793 0.296 . . . . 0.0 111.665 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.482 ' HA ' HG12 ' A' ' 23' ' ' ILE . 56.1 Cg_endo -70.81 -20.24 30.14 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.231 1.954 . . . . 0.0 110.793 173.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.481 ' HD2' ' HA ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.919 172.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.4 p . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -53.55 -30.25 53.68 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.551 2.834 . . . . 0.0 114.004 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 3.6 m -81.94 112.37 34.57 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.864 0.364 . . . . 0.0 111.7 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 34.4 Cg_exo -67.08 -29.8 39.49 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.064 2.509 . . . . 0.0 112.379 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.98 -2.75 88.26 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.269 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.553 ' SG ' ' HD2' ' A' ' 37' ' ' PRO . 44.4 t -89.39 158.44 17.76 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.98 -21.81 14.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.43 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.54 -31.35 6.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.437 174.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.569 ' HA ' ' HB3' ' A' ' 29' ' ' SER . 0.0 OUTLIER -97.22 71.96 2.42 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 122.3 -0.53 . . . . 0.0 111.602 -176.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.69 -174.04 45.09 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.299 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.677 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 2.4 m-70 -152.41 144.08 23.53 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.535 ' N ' ' HB3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -76.28 -16.36 15.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 122.209 1.004 . . . . 0.0 108.794 175.375 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.545 ' OG1' ' HB3' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -67.75 -70.1 0.28 Allowed 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.612 177.876 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.79 13.7 10.07 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.243 -176.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.407 ' HB2' ' CD1' ' A' ' 27' ' ' TYR . 4.9 m120 -108.91 -16.84 14.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.51 -0.345 . . . . 0.0 110.917 -175.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.677 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 80.4 m-85 -132.7 149.29 52.31 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.658 -174.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.28 -34.16 42.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.85 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.569 ' HB3' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -155.6 173.09 17.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.522 0.201 . . . . 0.0 111.021 -177.879 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -142.11 -161.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ttp-105 -148.62 -27.68 0.31 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.292 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.56 -175.61 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.107 -179.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.51 HD23 ' HB2' ' A' ' 36' ' ' CYS . 1.6 mt -77.68 46.26 0.54 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.044 0.449 . . . . 0.0 112.021 -176.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.16 -8.99 15.63 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.025 0.44 . . . . 0.0 110.431 177.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.603 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -159.17 25.26 0.34 Allowed Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.47 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.51 ' HB2' HD23 ' A' ' 33' ' ' LEU . 7.6 m -62.65 109.79 2.75 Favored Pre-proline 0 C--O 1.233 0.203 0 O-C-N 123.736 0.315 . . . . 0.0 110.328 176.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.553 ' HD2' ' SG ' ' A' ' 17' ' ' CYS . 88.6 Cg_endo -81.81 -12.3 11.03 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.168 1.912 . . . . 0.0 112.088 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.626 175.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.618 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.446 -0.632 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.618 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 47.5 Cg_exo -58.55 -26.21 77.7 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.465 2.11 . . . . 0.0 112.759 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.52 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 2.0 m -92.86 111.26 50.48 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.747 -177.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -67.82 -30.54 33.47 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.842 2.361 . . . . 0.0 112.415 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.73 0.58 89.36 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.414 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.754 ' SG ' ' HD2' ' A' ' 37' ' ' PRO . 48.6 t -84.24 168.48 15.67 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 178.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.53 -10.2 15.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.498 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.41 -45.87 2.93 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.344 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.96 64.39 3.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.389 0.614 . . . . 0.0 111.262 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.08 -169.97 33.11 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.55 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.599 ' CE1' ' HB3' ' A' ' 30' ' ' HIS . 3.9 m80 -160.28 146.75 15.65 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 123.296 0.638 . . . . 0.0 109.748 176.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.847 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -69.27 -31.15 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 175.159 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.818 HG23 ' H ' ' A' ' 26' ' ' ASN . 12.6 t -74.6 -21.84 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.554 176.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.45 6.8 43.24 Favored Glycine 0 C--N 1.333 0.408 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.983 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.818 ' H ' HG23 ' A' ' 24' ' ' THR . 27.3 m-80 -92.67 1.3 57.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.814 0.34 . . . . 0.0 111.519 -174.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -129.09 -164.72 1.42 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.757 -176.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.4 -37.76 2.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.172 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.08 178.44 10.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.407 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.599 ' HB3' ' CE1' ' A' ' 22' ' ' HIS . 36.0 p-80 -155.53 -159.79 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -154.68 -16.51 0.12 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.873 0.368 . . . . 0.0 111.129 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.41 174.05 8.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.436 -178.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.89 7.08 5.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.894 0.378 . . . . 0.0 111.676 -177.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -14.39 58.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.48 177.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -135.58 11.09 4.32 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.187 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.3 m -67.19 116.8 39.99 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.808 0.304 . . . . 0.0 110.844 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.847 ' HA ' HG12 ' A' ' 23' ' ' ILE . 92.4 Cg_endo -78.84 -5.43 14.64 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.82 2.346 . . . . 0.0 111.794 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.524 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.532 -177.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.586 ' HB2' ' CD ' ' A' ' 13' ' ' PRO . 1.1 p . . . . . 0 N--CA 1.448 -0.573 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.586 ' CD ' ' HB2' ' A' ' 12' ' ' CYS . 25.8 Cg_exo -68.49 -29.62 30.54 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.942 1.762 . . . . 0.0 113.279 -175.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.539 HG21 ' O ' ' A' ' 38' ' ' ARG . 17.0 m -79.87 121.46 82.25 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.008 0.432 . . . . 0.0 112.128 -174.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 32.8 Cg_exo -65.87 -41.16 14.67 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.344 2.696 . . . . 0.0 112.643 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.79 -5.12 89.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.508 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.477 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 12.4 t -87.45 -165.84 1.41 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.17 -36.62 0.33 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.951 -177.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.75 -9.79 8.56 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.762 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -107.71 150.8 26.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.069 0.461 . . . . 0.0 111.033 179.382 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.2 -178.79 46.49 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.075 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.652 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 2.0 m-70 -153.83 150.87 28.88 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 176.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.496 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -70.04 -29.58 40.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 172.047 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.603 HG23 ' HB2' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -73.7 -13.81 61.04 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.674 174.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.11 10.66 34.94 Favored Glycine 0 C--N 1.336 0.552 0 N-CA-C 114.534 0.574 . . . . 0.0 114.534 172.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.603 ' HB2' HG23 ' A' ' 24' ' ' THR . 3.5 m-80 -107.64 13.75 26.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.395 -0.473 . . . . 0.0 111.955 -174.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.652 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 78.6 m-85 -141.43 175.47 9.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.42 -23.22 13.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.273 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -157.36 165.96 34.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.635 -179.475 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.534 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 25.6 p-80 -136.23 -157.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.053 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.41 ' H ' ' HB2' ' A' ' 30' ' ' HIS . 3.8 mtm-85 -147.08 -29.9 0.35 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.059 -178.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.7 OUTLIER -134.37 -169.28 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.744 0.307 . . . . 0.0 111.341 -175.811 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -5.34 47.31 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -8.4 59.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.983 176.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.561 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -125.74 -14.32 3.17 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.966 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.3 m -57.39 113.45 6.27 Favored Pre-proline 0 C--O 1.232 0.164 0 CA-C-N 116.768 0.284 . . . . 0.0 111.088 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.496 ' HA ' HG12 ' A' ' 23' ' ' ILE . 58.4 Cg_endo -73.97 -20.94 18.92 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.148 1.899 . . . . 0.0 110.894 176.319 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.539 ' O ' HG21 ' A' ' 14' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.454 174.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.906 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 17.9 p . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 111.333 0.123 . . . . 0.0 111.333 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.906 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 60.4 Cg_endo -71.23 -20.9 27.62 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.399 2.066 . . . . 0.0 112.476 177.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.572 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 28.6 m -72.5 118.67 69.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.114 0.483 . . . . 0.0 111.863 -177.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 27.8 Cg_exo -68.16 -29.04 33.57 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.27 2.647 . . . . 0.0 112.595 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.24 -8.79 83.12 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.607 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -81.88 172.65 13.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.906 0.384 . . . . 0.0 110.812 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.57 -9.81 12.6 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.621 170.329 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.33 -23.11 32.68 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.551 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.9 OUTLIER -102.47 150.72 23.09 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 122.456 -0.438 . . . . 0.0 111.391 -177.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.07 167.07 38.67 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.655 -0.702 . . . . 0.0 113.16 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.588 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.6 m-70 -144.36 160.2 41.43 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.395 0.678 . . . . 0.0 110.083 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.646 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -68.16 -36.5 75.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 172.666 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.588 HG22 ' HB3' ' A' ' 22' ' ' HIS . 13.1 t -68.74 -18.42 64.22 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.524 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.97 32.21 79.22 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.65 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.557 ' HB2' HG23 ' A' ' 24' ' ' THR . 28.2 m-20 -125.95 10.17 7.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.876 0.37 . . . . 0.0 111.011 -173.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -134.51 171.23 14.6 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.777 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.57 -36.05 10.42 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.983 0.421 . . . . 0.0 110.726 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -159.73 178.35 9.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.816 -178.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.519 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 55.3 p-80 -156.99 165.73 35.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.28 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HE ' ' HB2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -137.99 16.32 2.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.93 0.395 . . . . 0.0 110.676 176.116 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.81 160.11 40.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.347 178.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.436 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -78.27 33.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.039 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.77 -22.88 17.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.055 0.455 . . . . 0.0 110.38 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.512 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -140.53 28.14 2.45 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.034 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 34.5 m -62.48 116.29 22.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.646 ' HA ' HG12 ' A' ' 23' ' ' ILE . 72.8 Cg_endo -78.64 -8.4 15.89 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.452 2.101 . . . . 0.0 111.321 176.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.818 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HB2' ' CD ' ' A' ' 13' ' ' PRO . 9.1 p . . . . . 0 N--CA 1.449 -0.502 0 CA-C-O 120.642 0.258 . . . . 0.0 111.682 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 12.2 Cg_exo -75.65 -31.01 5.73 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 123.18 2.587 . . . . 0.0 112.79 -178.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 2.5 m -58.36 120.72 46.67 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -176.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 24.4 Cg_exo -69.0 -37.17 11.41 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.18 2.587 . . . . 0.0 112.791 -177.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.95 -1.48 88.81 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.78 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 37.9 t -98.14 158.68 15.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.661 0.267 . . . . 0.0 110.297 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.64 -14.91 16.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.802 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.18 -2.81 61.55 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.85 -0.691 . . . . 0.0 113.417 176.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -113.39 156.89 22.63 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.207 -0.584 . . . . 0.0 111.345 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.16 179.73 44.17 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.501 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.607 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 1.9 m-70 -144.01 158.32 43.78 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.857 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -68.48 -31.54 51.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 172.705 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.545 HG23 ' H ' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -74.94 -20.72 59.57 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.018 176.441 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.08 -16.9 13.65 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 121.311 -0.471 . . . . 0.0 114.166 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.545 ' H ' HG23 ' A' ' 24' ' ' THR . 15.6 m-20 -79.02 -1.26 34.73 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -172.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.607 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 72.2 m-85 -124.77 152.9 43.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.725 0.298 . . . . 0.0 110.454 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.53 -29.62 19.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.777 -176.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -163.03 173.68 13.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.741 -178.69 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -153.1 -171.9 4.07 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.95 12.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -178.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.471 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -147.83 164.58 33.22 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.334 -0.146 . . . . 0.0 110.815 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.434 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -76.92 72.42 3.49 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.453 0.644 . . . . 0.0 110.915 -178.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.19 -55.03 0.8 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.146 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -115.97 39.95 2.57 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.613 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.8 m -68.55 117.63 52.18 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.857 ' HA ' HG12 ' A' ' 23' ' ' ILE . 95.1 Cg_endo -76.19 -13.2 19.09 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.977 1.785 . . . . 0.0 110.12 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.481 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.381 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.667 175.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.518 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 6.9 p . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.518 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 46.7 Cg_exo -59.78 -27.93 86.09 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.396 2.731 . . . . 0.0 113.263 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.614 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 16.8 m -75.0 122.04 86.6 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.571 -177.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 25.9 Cg_exo -70.83 -35.15 9.94 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.939 2.426 . . . . 0.0 112.763 -176.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.25 -40.61 15.63 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.749 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.614 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 47.3 t -70.9 139.02 50.63 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 174.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.49 -35.44 24.89 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.184 -0.322 . . . . 0.0 110.912 -173.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.01 -12.15 9.89 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -95.37 136.79 35.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.972 0.415 . . . . 0.0 110.726 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.27 -175.09 33.03 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.143 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.661 ' CE1' ' HB3' ' A' ' 30' ' ' HIS . 5.5 m80 -154.17 164.57 38.31 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.233 0.613 . . . . 0.0 109.622 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.7 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -72.6 -33.92 46.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.641 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.614 HG23 ' HB2' ' A' ' 26' ' ' ASN . 0.9 OUTLIER -76.48 -18.94 58.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.034 176.51 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.02 18.35 64.49 Favored Glycine 0 CA--C 1.523 0.586 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.812 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.614 ' HB2' HG23 ' A' ' 24' ' ' THR . 2.9 m-80 -106.66 10.7 30.94 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -130.84 -177.85 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.989 0.423 . . . . 0.0 111.069 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.54 -44.46 6.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.533 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 p -159.55 177.58 10.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.806 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.661 ' HB3' ' CE1' ' A' ' 22' ' ' HIS . 46.4 p-80 -148.73 170.47 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.699 179.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -137.55 6.78 2.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.846 0.355 . . . . 0.0 110.805 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.94 166.69 21.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.136 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.53 15.37 0.81 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -8.55 45.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -178.278 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -139.69 20.51 2.91 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.145 -1.026 . . . . 0.0 113.169 -176.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.8 m -69.93 112.35 12.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 111.885 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.7 ' HA ' HG12 ' A' ' 23' ' ' ILE . 85.6 Cg_endo -80.37 -18.12 9.85 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.82 2.347 . . . . 0.0 112.356 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 121.12 0.486 . . . . 0.0 110.26 178.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.546 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.446 -0.632 0 CA-C-O 120.423 0.154 . . . . 0.0 111.104 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 12.4 Cg_endo -57.68 -32.75 95.43 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 123.211 2.608 . . . . 0.0 113.431 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 4.1 m -76.69 114.11 35.85 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -175.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 39.6 Cg_exo -66.93 -29.79 40.66 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.223 2.616 . . . . 0.0 112.808 -178.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.08 3.78 83.07 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.072 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 t -106.7 174.67 5.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.709 0.29 . . . . 0.0 110.22 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.51 -17.52 6.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.971 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.64 -4.35 46.73 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.471 -0.871 . . . . 0.0 113.085 176.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -110.3 146.04 36.39 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.789 0.328 . . . . 0.0 110.675 179.127 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.86 -174.89 43.05 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.263 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.666 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 3.0 m80 -152.38 160.22 43.32 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 123.454 0.702 . . . . 0.0 109.359 177.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.864 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -68.81 -29.57 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.674 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.576 HG23 ' HB2' ' A' ' 26' ' ' ASN . 1.3 t -76.46 -13.94 60.08 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.839 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.29 45.76 95.82 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.963 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.576 ' HB2' HG23 ' A' ' 24' ' ' THR . 15.8 m-80 -142.09 3.94 1.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -130.11 155.15 46.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.068 0.461 . . . . 0.0 111.022 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.0 -38.74 35.92 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.239 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -159.64 175.04 13.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.044 0.45 . . . . 0.0 111.676 -176.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.579 ' HB3' ' CE1' ' A' ' 22' ' ' HIS . 46.2 p-80 -154.04 -165.57 2.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.364 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.466 ' HE ' ' HB3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -159.46 15.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 110.6 177.286 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.42 174.16 11.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.395 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -5.9 48.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -5.93 55.27 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.241 0.543 . . . . 0.0 110.229 176.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.666 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -128.36 -12.71 2.75 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.727 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.62 110.53 3.0 Favored Pre-proline 0 CA--C 1.53 0.181 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.864 ' HA ' HG12 ' A' ' 23' ' ' ILE . 57.8 Cg_endo -71.95 -19.11 27.23 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.419 2.079 . . . . 0.0 111.669 176.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.503 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.631 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 27.3 p . . . . . 0 N--CA 1.45 -0.432 0 CA-C-O 120.82 0.343 . . . . 0.0 111.375 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.835 ' HG2' ' HG ' ' A' ' 33' ' ' LEU . 37.2 Cg_endo -65.59 -28.27 53.03 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.733 2.289 . . . . 0.0 113.193 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.504 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 10.1 m -65.56 117.45 41.13 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -175.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 20.5 Cg_exo -72.61 -35.17 6.35 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.162 2.575 . . . . 0.0 112.622 -177.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.65 2.53 87.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.643 -178.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.504 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 8.5 t -84.33 -172.71 4.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.156 0.503 . . . . 0.0 110.958 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.34 -20.49 4.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.844 174.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.75 1.15 65.96 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.501 174.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.9 OUTLIER -117.21 156.58 27.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.08 0.44 . . . . 0.0 110.859 -179.758 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.432 ' O ' ' HD2' ' A' ' 22' ' ' HIS . . . 68.41 -168.18 42.71 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.97 -0.559 . . . . 0.0 113.345 178.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.667 ' C ' ' HB3' ' A' ' 37' ' ' PRO . 1.7 m170 -146.86 153.34 40.04 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 123.887 0.875 . . . . 0.0 109.512 176.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.81 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -61.73 -24.13 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 174.108 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -51.68 -56.72 12.08 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 112.699 -2.046 . . . . 0.0 112.268 169.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.68 19.24 32.5 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.649 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -127.65 9.26 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -175.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -125.31 167.96 14.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.797 0.332 . . . . 0.0 110.699 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.47 -29.47 11.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.741 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -167.35 173.68 8.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.085 0.469 . . . . 0.0 111.059 -179.12 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -152.51 172.76 16.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.548 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.87 -6.59 1.88 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.069 0.461 . . . . 0.0 110.866 -176.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.36 -179.47 5.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.835 ' HG ' ' HG2' ' A' ' 13' ' ' PRO . 4.3 mt -78.41 50.33 0.93 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.33 0.586 . . . . 0.0 110.853 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.36 -35.24 15.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.861 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.59 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -170.11 53.68 0.2 Allowed Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.274 -0.965 . . . . 0.0 113.004 -176.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.6 m -58.13 113.14 5.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.501 0.191 . . . . 0.0 110.577 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.81 ' HA ' HG12 ' A' ' 23' ' ' ILE . 94.3 Cg_endo -77.87 -13.73 15.82 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.337 2.024 . . . . 0.0 110.928 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.494 ' CB ' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.551 171.491 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.705 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 3.1 p . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.705 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 51.9 Cg_endo -69.64 -35.19 13.47 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.826 2.351 . . . . 0.0 112.747 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.522 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 21.7 m -56.82 119.85 33.18 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -177.249 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 31.4 Cg_exo -64.59 -44.37 11.17 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.061 2.507 . . . . 0.0 113.217 -176.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.93 -15.05 79.89 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.91 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.522 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 49.5 t -86.94 153.51 21.53 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.92 -16.19 15.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.815 0.341 . . . . 0.0 111.025 -176.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.03 -1.32 56.38 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.248 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -104.78 151.96 23.14 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 122.469 -0.43 . . . . 0.0 110.306 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.13 -169.13 53.8 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.405 -177.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.647 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.4 m-70 -153.29 155.93 37.45 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.787 0.835 . . . . 0.0 109.831 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.63 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -68.5 -22.25 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.406 0.622 . . . . 0.0 110.087 175.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.617 HG23 ' HB2' ' A' ' 26' ' ' ASN . 8.2 t -81.65 -11.93 58.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.139 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.46 34.71 82.27 Favored Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.308 -0.472 . . . . 0.0 112.529 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.617 ' HB2' HG23 ' A' ' 24' ' ' THR . 14.8 m-20 -127.18 0.07 6.44 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -126.04 -175.82 3.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.991 0.424 . . . . 0.0 111.252 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.03 -36.03 6.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.12 173.7 12.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.948 0.404 . . . . 0.0 111.128 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 45.1 p-80 -149.66 -167.28 2.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.766 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -156.34 10.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.951 0.405 . . . . 0.0 111.291 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.402 ' C ' ' H ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -150.98 175.63 11.88 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.229 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.72 33.86 0.18 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.062 0.458 . . . . 0.0 111.571 -178.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -88.26 -28.71 20.92 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.611 179.086 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.647 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -150.6 39.68 0.84 Allowed Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.892 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.7 m -68.51 112.11 10.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.533 0.206 . . . . 0.0 110.933 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.63 ' HA ' HG12 ' A' ' 23' ' ' ILE . 73.6 Cg_endo -75.56 -13.85 20.15 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.451 2.101 . . . . 0.0 111.478 178.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.094 177.844 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.48 ' SG ' ' HA2' ' A' ' 19' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HB2' ' HG ' ' A' ' 33' ' ' LEU . 86.7 Cg_exo -53.43 -27.27 39.15 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 122.418 2.079 . . . . 0.0 113.669 -176.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 34.2 m -81.68 121.41 79.58 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 121.226 0.536 . . . . 0.0 111.725 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 38.8 Cg_exo -66.54 -43.15 8.2 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.172 2.581 . . . . 0.0 112.757 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.73 5.62 73.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.041 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.538 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 5.9 t -86.69 -178.65 6.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.912 0.387 . . . . 0.0 111.193 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.57 -25.68 3.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.829 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.48 ' HA2' ' SG ' ' A' ' 12' ' ' CYS . . . 106.52 -7.45 39.55 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.02 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -116.05 158.91 22.43 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 122.445 -0.444 . . . . 0.0 110.468 179.29 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.39 -171.88 55.17 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.994 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.645 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.9 m-70 -156.62 164.31 38.33 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 123.219 0.607 . . . . 0.0 109.459 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.002 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -73.97 -28.05 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 172.688 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.645 HG22 ' HB3' ' A' ' 22' ' ' HIS . 13.9 t -73.02 -21.36 60.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.657 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.16 38.5 96.25 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.898 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.436 ' HB2' HG23 ' A' ' 24' ' ' THR . 40.9 m-20 -131.79 4.43 4.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.661 0.267 . . . . 0.0 111.462 -173.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.476 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 66.4 m-85 -129.88 -178.78 4.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.895 0.379 . . . . 0.0 111.019 -177.211 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.75 -41.75 6.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.704 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -155.87 177.61 11.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.028 -179.232 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.438 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 46.9 p-80 -157.02 -175.9 5.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.051 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.449 ' HA ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -160.46 38.33 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.702 0.763 . . . . 0.0 109.88 171.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.32 167.07 29.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.493 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' HG ' ' HB2' ' A' ' 13' ' ' PRO . 1.2 mt -76.36 -7.38 54.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.026 0.441 . . . . 0.0 110.368 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.0 -7.83 58.41 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.023 174.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.565 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -124.15 -20.9 2.4 Favored Glycine 0 N--CA 1.44 -1.047 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.505 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.3 m -58.94 109.64 2.04 Favored Pre-proline 0 C--O 1.233 0.209 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -177.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 1.002 ' HA ' HG12 ' A' ' 23' ' ' ILE . 75.5 Cg_endo -79.61 -12.39 13.78 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.665 2.243 . . . . 0.0 112.23 177.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.264 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.447 -0.589 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HB2' HD12 ' A' ' 33' ' ' LEU . 49.2 Cg_exo -62.85 -26.71 74.73 Favored 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 122.647 2.231 . . . . 0.0 113.293 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 87.8 m -71.94 119.82 76.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.958 0.409 . . . . 0.0 111.636 -178.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 33.3 Cg_exo -66.11 -35.08 34.92 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.052 2.501 . . . . 0.0 112.541 -176.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.69 7.55 81.6 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.742 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.409 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 4.9 t -101.4 -175.1 2.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.861 0.363 . . . . 0.0 110.585 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.86 -22.31 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.03 -6.73 32.68 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.013 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -106.23 148.1 28.32 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.205 -0.585 . . . . 0.0 110.796 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.8 -174.45 42.7 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.82 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.557 ' HB3' HG22 ' A' ' 24' ' ' THR . 3.1 m80 -160.15 155.03 24.42 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.779 0.832 . . . . 0.0 109.549 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.897 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -70.77 -31.07 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.96 0.409 . . . . 0.0 110.07 175.794 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.557 HG22 ' HB3' ' A' ' 22' ' ' HIS . 14.7 t -71.6 -24.63 61.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.267 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.19 38.36 91.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.005 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -130.33 -5.38 4.3 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -121.96 -177.73 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -178.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.23 -46.49 4.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.745 0.307 . . . . 0.0 111.235 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.03 170.65 19.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.229 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 22' ' ' HIS . 53.2 p-80 -146.92 -169.84 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.521 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.21 8.7 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.071 0.462 . . . . 0.0 111.162 177.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.71 171.32 14.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.273 177.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -77.03 11.22 1.89 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -13.68 46.27 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.758 0.313 . . . . 0.0 110.631 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -139.5 14.42 3.19 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.102 -1.047 . . . . 0.0 113.444 -176.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.8 m -66.84 112.53 9.89 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.778 0.289 . . . . 0.0 110.958 178.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.897 ' HA ' HG12 ' A' ' 23' ' ' ILE . 68.3 Cg_endo -76.27 -9.46 19.0 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.685 2.257 . . . . 0.0 111.671 178.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.219 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 1.2 p . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 110.44 -0.208 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 52.8 Cg_exo -59.21 -38.96 82.81 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.014 2.476 . . . . 0.0 113.461 -177.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 7.6 m -69.13 116.09 38.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 0.0 111.989 -175.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 29.6 Cg_exo -66.95 -30.48 39.48 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.174 2.583 . . . . 0.0 112.436 -179.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.0 4.6 86.26 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.275 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.5 t -101.92 177.73 4.82 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.59 -16.96 4.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.386 -178.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.42 -3.65 50.62 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.354 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.94 148.25 28.86 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.362 -0.493 . . . . 0.0 110.817 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.3 -173.22 46.03 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.932 -178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.679 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 2.1 m-70 -155.97 166.8 32.39 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 122.962 0.505 . . . . 0.0 110.039 178.03 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.554 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -77.3 -28.77 16.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 172.889 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.561 HG23 ' H ' ' A' ' 26' ' ' ASN . 13.7 t -80.1 -27.35 39.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.605 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 34.19 85.39 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.172 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.561 ' H ' HG23 ' A' ' 24' ' ' THR . 12.5 m-20 -122.76 -3.5 8.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.723 0.297 . . . . 0.0 111.703 -176.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.618 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 36.9 m-85 -120.5 -168.61 1.67 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.207 -178.341 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.17 -48.5 3.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.543 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.49 175.24 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.446 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.503 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 49.8 p-80 -145.71 -174.56 4.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.643 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.41 10.42 0.43 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.912 0.387 . . . . 0.0 111.129 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.15 170.44 16.09 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.94 -3.12 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.945 0.402 . . . . 0.0 111.248 -177.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -13.68 59.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.421 0.629 . . . . 0.0 109.555 174.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.679 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -115.77 -18.26 6.12 Favored Glycine 0 N--CA 1.44 -1.055 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.948 -178.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.0 m -57.53 109.62 1.89 Allowed Pre-proline 0 C--O 1.234 0.243 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.554 ' HA ' HG12 ' A' ' 23' ' ' ILE . 74.3 Cg_endo -74.32 -7.05 19.25 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.377 2.051 . . . . 0.0 111.107 174.51 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.72 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.636 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 25.2 p . . . . . 0 C--O 1.238 0.467 0 CA-C-O 120.917 0.389 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.797 ' HG2' ' HG ' ' A' ' 33' ' ' LEU . 19.3 Cg_endo -59.29 -29.0 89.15 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 123.137 2.558 . . . . 0.0 112.651 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.541 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 21.9 m -62.89 115.19 15.51 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.431 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 38.9 Cg_exo -66.14 -46.78 4.06 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.888 2.392 . . . . 0.0 112.805 -176.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.29 3.5 77.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.002 -0.618 . . . . 0.0 113.345 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.541 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 0.5 OUTLIER -76.7 158.72 30.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.775 0.321 . . . . 0.0 111.348 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.36 -34.94 13.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.63 174.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.51 -17.74 56.24 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.896 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.72 77.42 1.13 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.651 0.725 . . . . 0.0 112.085 -175.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.6 -176.62 33.89 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.643 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.658 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.8 m-70 -144.38 148.15 34.32 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 175.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.524 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -67.92 -25.23 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.068 0.461 . . . . 0.0 109.998 176.317 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.658 HG22 ' HB3' ' A' ' 22' ' ' HIS . 5.8 t -70.54 -18.57 62.93 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.356 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.04 73.34 Favored Glycine 0 C--N 1.334 0.467 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.732 177.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.509 ' HB2' HG23 ' A' ' 24' ' ' THR . 19.8 m-20 -120.79 -1.18 10.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.844 0.354 . . . . 0.0 111.2 -176.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -125.82 170.1 11.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.505 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.84 -28.95 10.84 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.917 0.389 . . . . 0.0 110.642 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.9 179.31 9.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 22' ' ' HIS . 29.8 p-80 -161.84 164.79 28.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -146.75 19.24 1.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.697 0.284 . . . . 0.0 111.475 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.23 166.19 26.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.597 0.237 . . . . 0.0 110.612 178.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.797 ' HG ' ' HG2' ' A' ' 13' ' ' PRO . 2.7 mt -78.27 70.32 4.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.185 0.517 . . . . 0.0 110.826 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 m -132.92 -41.38 0.92 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.711 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.505 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -139.19 57.65 0.62 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.779 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.4 m -75.58 117.81 66.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.554 0.216 . . . . 0.0 111.034 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.524 ' HA ' HG12 ' A' ' 23' ' ' ILE . 71.5 Cg_endo -77.89 -23.91 8.95 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.724 2.283 . . . . 0.0 111.349 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.528 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.237 0.426 0 CA-C-O 120.834 0.35 . . . . 0.0 111.74 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 34.2 Cg_exo -65.37 -37.98 28.34 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.289 2.66 . . . . 0.0 113.552 -176.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.471 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 4.4 m -64.16 119.11 52.92 Favored Pre-proline 0 N--CA 1.464 0.274 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -174.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 25.2 Cg_exo -69.51 -33.04 18.37 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.364 2.709 . . . . 0.0 112.522 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.54 4.53 85.58 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.201 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.9 t -100.43 173.4 6.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.5 -14.4 8.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.595 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.67 -4.62 61.69 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.364 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.14 156.53 18.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 117.038 0.419 . . . . 0.0 110.665 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.17 -168.71 54.75 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.364 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.739 ' CE1' ' HB3' ' A' ' 30' ' ' HIS . 2.6 m80 -155.78 158.83 38.78 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 123.503 0.721 . . . . 0.0 109.801 176.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.745 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -67.83 -29.84 46.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.211 0.529 . . . . 0.0 109.587 174.151 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 26' ' ' ASN . 3.1 t -79.97 -11.63 59.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.954 177.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.94 18.98 58.3 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.228 -0.442 . . . . 0.0 113.583 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.609 ' HB2' HG23 ' A' ' 24' ' ' THR . 39.9 m-20 -108.26 2.02 22.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.511 -0.405 . . . . 0.0 111.694 -174.37 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -132.16 154.73 49.24 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.933 -176.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.15 -39.12 50.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.58 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.66 171.56 20.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.794 0.331 . . . . 0.0 111.062 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.739 ' HB3' ' CE1' ' A' ' 22' ' ' HIS . 45.4 p-80 -143.62 -170.19 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.063 177.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mmm-85 -146.69 -10.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.662 0.268 . . . . 0.0 111.486 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 34' ' ' SER . 0.1 OUTLIER -133.05 173.89 10.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.817 -175.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.58 23.03 0.16 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.284 0.564 . . . . 0.0 111.27 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -86.51 -17.77 33.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.825 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.61 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -153.28 30.09 0.79 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.115 -1.041 . . . . 0.0 113.614 -176.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.6 m -66.0 113.69 13.33 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 120.591 0.234 . . . . 0.0 110.69 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.745 ' HA ' HG12 ' A' ' 23' ' ' ILE . 73.1 Cg_endo -76.74 -8.27 17.96 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.374 2.049 . . . . 0.0 111.146 177.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.747 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.846 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 21.7 p . . . . . 0 N--CA 1.448 -0.566 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.846 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 27.5 Cg_endo -62.89 -25.05 74.25 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.955 2.436 . . . . 0.0 112.728 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 93.8 m -78.06 111.63 19.68 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.096 -176.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 31.1 Cg_exo -67.13 -29.54 39.57 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.122 2.548 . . . . 0.0 112.698 -179.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.78 2.18 85.75 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.984 -177.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.588 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -78.23 162.09 26.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.979 0.419 . . . . 0.0 111.945 -179.002 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.42 -31.95 13.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.736 172.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.88 -16.33 59.65 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 121.112 -0.566 . . . . 0.0 113.654 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.87 77.78 1.12 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 117.429 0.614 . . . . 0.0 111.374 -176.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.99 -172.72 35.18 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.316 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.65 ' CD2' ' HB3' ' A' ' 30' ' ' HIS . 1.8 m-70 -146.29 174.91 10.92 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.671 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -83.29 -35.49 11.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 172.567 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.768 HG23 ' H ' ' A' ' 26' ' ' ASN . 7.2 t -59.85 -35.8 75.52 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.061 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.59 13.38 70.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.883 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.768 ' H ' HG23 ' A' ' 24' ' ' THR . 28.3 m-80 -108.51 0.36 20.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.913 -0.169 . . . . 0.0 111.443 -176.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -126.45 166.92 16.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.754 0.311 . . . . 0.0 111.419 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.28 -22.41 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.13 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 p -157.84 176.55 12.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.271 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.65 ' HB3' ' CD2' ' A' ' 22' ' ' HIS . 31.1 p-80 -161.07 170.57 20.2 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.84 15.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 111.378 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.07 168.95 22.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.338 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.597 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -77.87 14.82 0.99 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.875 0.369 . . . . 0.0 111.55 -178.499 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -18.44 51.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.044 0.449 . . . . 0.0 110.886 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.554 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -152.93 36.85 0.77 Allowed Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.201 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 9.2 m -69.82 114.76 27.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 123.588 0.228 . . . . 0.0 111.104 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.671 ' HA ' HG12 ' A' ' 23' ' ' ILE . 56.7 Cg_endo -74.94 -16.29 20.45 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.595 2.197 . . . . 0.0 111.796 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.588 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.093 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.533 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.592 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 11.8 Cg_endo -55.79 -35.73 94.1 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.233 2.622 . . . . 0.0 113.438 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 4.0 m -69.66 111.76 9.97 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.692 0.282 . . . . 0.0 111.665 -179.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 26.5 Cg_exo -68.06 -25.45 37.88 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.875 2.384 . . . . 0.0 112.211 -178.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.97 -11.08 79.69 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.235 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.41 ' HA ' ' CB ' ' A' ' 38' ' ' ARG . 48.1 t -92.6 158.59 15.89 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.29 -16.33 16.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 0.0 110.779 -177.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.482 ' HA2' ' SG ' ' A' ' 12' ' ' CYS . . . 97.4 -3.4 61.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.224 175.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.22 162.86 13.68 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.497 -0.413 . . . . 0.0 110.716 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.42 -165.35 47.0 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.711 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.538 ' C ' ' HB3' ' A' ' 37' ' ' PRO . 1.8 m-70 -154.7 156.34 36.22 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.724 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -65.88 -23.23 31.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 173.625 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -61.98 2.22 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 113.723 -1.581 . . . . 0.0 111.9 173.194 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.99 26.21 8.55 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.644 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -123.36 -0.39 8.78 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -175.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -126.27 175.17 8.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.844 0.354 . . . . 0.0 111.218 -174.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.06 -37.67 9.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.607 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.46 172.23 15.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.584 0.231 . . . . 0.0 111.372 -178.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -140.3 -157.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.827 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -155.71 -18.96 0.11 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.741 0.305 . . . . 0.0 111.482 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.41 ' C ' ' H ' ' A' ' 34' ' ' SER . 0.7 OUTLIER -128.01 -177.43 4.13 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 -178.515 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.404 ' HG ' ' HG2' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -77.69 23.87 0.23 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.113 0.482 . . . . 0.0 111.403 -179.734 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -79.22 -28.21 42.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.545 178.725 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.519 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -151.93 40.19 0.76 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.252 -0.975 . . . . 0.0 113.171 -177.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.8 m -70.76 108.32 3.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 123.666 0.274 . . . . 0.0 110.384 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.724 ' HA ' HG12 ' A' ' 23' ' ' ILE . 77.6 Cg_endo -81.65 -2.63 11.55 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.387 2.058 . . . . 0.0 111.253 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.41 ' CB ' ' HA ' ' A' ' 17' ' ' CYS . 2.5 mtt180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.056 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.8 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 3.5 p . . . . . 0 N--CA 1.447 -0.618 0 CA-C-O 120.346 0.117 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.8 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 71.9 Cg_endo -75.42 -26.36 10.34 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.586 2.191 . . . . 0.0 112.738 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.636 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.6 m -62.05 116.49 22.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.202 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 34.8 Cg_exo -64.93 -38.85 27.3 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.993 2.462 . . . . 0.0 113.034 -176.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.68 -13.0 80.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.668 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.636 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 47.5 t -94.62 151.9 18.94 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.14 -16.44 17.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.025 -175.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.34 0.38 59.65 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.668 175.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -106.23 152.98 22.8 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 117.233 0.516 . . . . 0.0 110.516 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.95 -173.69 49.98 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.432 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.693 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.7 m-70 -150.27 157.86 43.53 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 122.944 0.497 . . . . 0.0 109.824 177.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.934 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -70.27 -31.31 46.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.019 0.438 . . . . 0.0 109.831 174.443 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.693 HG22 ' HB3' ' A' ' 22' ' ' HIS . 10.6 t -68.02 -25.31 65.33 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.054 177.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.89 49.08 44.28 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.514 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -144.79 5.86 1.19 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -174.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.503 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 97.7 m-85 -138.36 162.48 34.3 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.584 0.231 . . . . 0.0 110.965 -176.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.3 -38.96 18.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.762 0.315 . . . . 0.0 111.34 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.17 175.05 13.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.928 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.584 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 45.9 p-80 -145.24 -169.29 3.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.488 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.14 7.64 0.33 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -176.086 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.15 170.9 16.81 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.242 -0.183 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.415 ' HG ' ' OG1' ' A' ' 14' ' ' THR . 0.6 OUTLIER -77.56 41.56 0.33 Allowed 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.468 0.48 . . . . 0.0 111.761 -178.146 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.71 -45.26 4.06 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.855 0.36 . . . . 0.0 110.449 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.531 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -114.46 29.29 7.67 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.969 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.3 m -68.8 110.94 6.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.716 0.293 . . . . 0.0 111.514 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.934 ' HA ' HG12 ' A' ' 23' ' ' ILE . 72.3 Cg_endo -76.03 -21.6 13.84 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.144 1.896 . . . . 0.0 111.009 175.048 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.874 176.313 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.448 -0.533 0 CA-C-O 121.066 0.46 . . . . 0.0 112.032 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 27.5 Cg_exo -64.64 -31.47 59.46 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 123.329 2.686 . . . . 0.0 112.944 -179.212 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.621 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.8 m -64.97 118.2 46.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -174.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 27.7 Cg_exo -65.27 -37.05 33.16 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.364 2.709 . . . . 0.0 112.839 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.56 -22.77 63.87 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.554 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.621 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 53.8 t -89.52 168.05 12.48 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.48 -17.48 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.8 0.334 . . . . 0.0 111.22 -177.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.24 -2.33 43.65 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.28 -0.962 . . . . 0.0 113.278 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 m -100.61 134.6 43.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 117.153 0.477 . . . . 0.0 110.619 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.49 -171.94 38.76 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.242 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.738 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.9 m-70 -155.52 152.6 29.08 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.837 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -69.7 -29.27 40.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.221 0.534 . . . . 0.0 109.743 175.157 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.738 HG22 ' HB3' ' A' ' 22' ' ' HIS . 15.3 t -69.06 -22.16 64.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.194 178.209 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.2 41.98 98.12 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.071 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -136.23 8.84 3.2 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -137.41 -170.05 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.736 0.303 . . . . 0.0 111.24 -175.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.89 -42.01 3.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.505 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.03 179.44 7.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.499 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 44.5 p-80 -153.31 -168.29 2.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.608 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -156.7 11.86 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.263 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.586 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -144.53 169.96 16.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.601 178.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -77.0 30.62 0.13 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.017 0.437 . . . . 0.0 111.845 -178.513 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.36 -17.85 16.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.862 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -143.27 25.66 2.18 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.039 -1.077 . . . . 0.0 113.22 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.0 m -66.63 117.95 49.54 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.743 0.306 . . . . 0.0 111.335 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.837 ' HA ' HG12 ' A' ' 23' ' ' ILE . 56.3 Cg_endo -72.24 -12.1 27.41 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.617 2.212 . . . . 0.0 110.977 175.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 17' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.43 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.932 176.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.01 -39.61 13.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.238 0.542 . . . . 0.0 110.245 178.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.36 99.48 6.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.108 178.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -94.14 -144.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.649 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.686 ' HB2' ' HA ' ' A' ' 13' ' ' PRO . . . -126.3 -174.54 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.689 0.281 . . . . 0.0 110.776 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -65.23 -27.78 68.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.113 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.26 33.62 0.55 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.938 177.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HB3' ' HG ' ' A' ' 10' ' ' LEU . . . 58.64 -159.51 0.28 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.829 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -92.78 37.56 1.02 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.486 0.66 . . . . 0.0 109.577 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HG ' ' HB3' ' A' ' 8' ' ' ALA . 13.9 mt -92.36 -28.51 16.87 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 175.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.614 ' HD3' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -142.36 -176.92 5.02 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 114.53 -1.214 . . . . 0.0 108.777 171.475 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.614 ' O ' ' HD3' ' A' ' 11' ' ' LYS . 3.5 p -93.46 167.93 13.02 Favored Pre-proline 0 C--N 1.31 -1.141 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.004 -172.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.686 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . 51.3 Cg_exo -57.64 -44.31 42.67 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.096 2.531 . . . . 0.0 113.43 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.631 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.4 m -60.39 117.92 28.96 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 0.0 111.934 -176.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 25.1 Cg_exo -68.95 -32.77 21.33 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.189 2.593 . . . . 0.0 112.351 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.86 -23.28 64.47 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.721 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.631 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 48.6 t -88.91 161.97 16.37 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 174.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.62 -37.29 5.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.304 -176.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.6 -14.54 7.21 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.754 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -92.32 139.15 30.89 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 122.387 -0.478 . . . . 0.0 110.29 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.81 -169.97 30.28 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.33 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.596 ' C ' ' HB3' ' A' ' 37' ' ' PRO . 2.6 m-70 -159.03 153.23 23.74 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.862 0.865 . . . . 0.0 108.97 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.814 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -63.71 -26.55 40.93 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 173.821 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -61.64 2.11 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 113.611 -1.631 . . . . 0.0 111.82 174.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.68 44.87 4.43 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -141.38 5.1 1.83 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.501 -0.35 . . . . 0.0 111.109 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.546 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 25.2 m-85 -137.71 -177.94 5.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.299 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.5 -40.24 8.35 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.36 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.17 174.74 13.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.94 0.4 . . . . 0.0 111.63 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.477 ' C ' ' HG2' ' A' ' 31' ' ' ARG . 46.2 p-80 -148.3 176.89 9.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.044 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HG2' ' C ' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -143.53 22.39 1.83 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.984 0.421 . . . . 0.0 110.775 179.225 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.442 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 12.3 m -149.99 173.47 13.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.576 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.55 -2.83 34.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.966 0.413 . . . . 0.0 111.31 -178.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -21.12 46.03 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.042 0.448 . . . . 0.0 110.148 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.544 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -113.27 -8.2 19.86 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.109 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.668 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . 57.3 m -58.3 112.13 4.49 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-O 120.949 0.404 . . . . 0.0 111.816 -178.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.814 ' HA ' HG12 ' A' ' 23' ' ' ILE . 87.3 Cg_endo -76.12 -10.89 19.53 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.307 2.005 . . . . 0.0 110.882 174.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.23 21.17 13.85 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.238 175.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.668 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . . . -55.75 101.4 0.05 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.898 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.823 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 48.88 36.19 7.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.763 -175.797 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.04 72.07 5.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.437 -177.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.4 m 68.94 -65.24 0.29 Allowed 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.788 0.68 . . . . 0.0 111.264 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.56 68.31 3.57 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.848 175.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.823 ' HB3' ' HA ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -80.48 -33.99 36.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.716 0.293 . . . . 0.0 111.276 -176.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -143.8 110.56 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.853 0.359 . . . . 0.0 110.683 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.545 -0.741 . . . . 0.0 109.867 179.176 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.75 0 N-CA-C 112.422 -0.271 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.609 ' HB3' ' HB3' ' A' ' 9' ' ' ASP . 0.9 OUTLIER -59.85 134.21 56.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.824 0.345 . . . . 0.0 110.81 179.603 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 ttt -81.95 -49.17 10.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.164 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.04 164.63 14.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.528 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.56 60.08 5.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.965 0.412 . . . . 0.0 112.003 -176.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.413 ' CD2' ' HB2' ' A' ' 9' ' ' ASP . 6.6 p80 -154.42 137.21 15.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.661 172.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -30.68 64.72 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -170.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.91 3.13 15.3 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.609 ' HB3' ' HB3' ' A' ' 2' ' ' SER . 1.3 t70 -84.96 46.89 1.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.38 0.609 . . . . 0.0 110.883 178.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.81 6.84 33.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.826 0.822 . . . . 0.0 109.363 175.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -143.63 -156.34 0.68 Allowed 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.356 -1.293 . . . . 0.0 108.348 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.6 p -82.41 166.74 34.73 Favored Pre-proline 0 C--N 1.313 -0.98 0 CA-C-O 120.993 0.425 . . . . 0.0 110.75 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HB2' ' HG ' ' A' ' 33' ' ' LEU . 51.3 Cg_exo -61.62 -14.43 35.64 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 123.466 2.777 . . . . 0.0 112.842 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.595 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.8 m -82.18 122.41 79.43 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.225 -175.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 21.8 Cg_exo -74.3 -35.99 3.51 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.191 2.594 . . . . 0.0 112.804 -177.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.97 -15.54 80.45 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.154 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.595 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 47.9 t -102.28 153.75 19.69 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.39 -9.81 23.03 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.125 -0.359 . . . . 0.0 111.502 -172.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.95 -14.86 59.89 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.095 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.97 143.9 27.39 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.404 -0.468 . . . . 0.0 110.572 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.89 -173.8 35.23 Favored Glycine 0 C--O 1.222 -0.643 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.036 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.66 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.9 m-70 -156.67 150.31 24.61 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 176.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.482 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -68.54 -22.27 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.223 0.535 . . . . 0.0 109.858 175.853 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.674 HG23 ' H ' ' A' ' 26' ' ' ASN . 6.0 t -82.23 -21.69 36.22 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.305 177.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.23 20.19 74.81 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.202 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.674 ' H ' HG23 ' A' ' 24' ' ' THR . 38.5 m-80 -110.07 1.82 19.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -175.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.599 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 92.6 m-85 -132.63 -172.99 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 111.384 -175.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -106.64 -43.04 4.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.028 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.82 174.38 15.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.676 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.59 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 42.7 p-80 -148.23 172.33 14.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.928 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 mmt85 -134.45 9.66 3.71 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.88 169.82 15.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.59 0.233 . . . . 0.0 111.094 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.485 HD23 ' OG1' ' A' ' 14' ' ' THR . 2.0 mt -77.68 0.63 22.66 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -177.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.25 -53.41 6.38 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -175.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.66 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -89.96 32.01 5.06 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.699 -174.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.2 m -78.46 116.04 56.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.793 0.296 . . . . 0.0 111.665 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.482 ' HA ' HG12 ' A' ' 23' ' ' ILE . 56.1 Cg_endo -70.81 -20.24 30.14 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.231 1.954 . . . . 0.0 110.793 173.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.481 ' HD2' ' HA ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -99.87 42.74 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.919 172.338 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -44.0 117.2 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.724 -1.126 . . . . 0.0 112.241 -173.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.539 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -48.72 138.86 10.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.382 -1.281 . . . . 0.0 111.596 -179.357 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -138.11 -64.24 0.54 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.376 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.63 -21.27 60.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.981 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.89 133.01 2.67 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.539 ' HA ' ' HB2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -74.85 -61.27 1.94 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.699 -177.72 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -154.47 79.15 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.143 0.497 . . . . 0.0 110.678 177.129 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.26 0 CA-C-O 118.528 -0.749 . . . . 0.0 110.175 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.97 155.1 23.19 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 178.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.9 ptm -66.53 141.59 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.979 0.418 . . . . 0.0 110.284 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.88 -38.65 8.54 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.431 -178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.73 146.23 24.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.513 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -123.6 89.32 3.07 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.923 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.58 73.26 4.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.603 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -111.05 11.34 22.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.674 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -114.65 34.56 4.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.515 0.674 . . . . 0.0 110.374 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 mt -100.27 -61.46 1.36 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.889 173.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.2 126.65 51.48 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 170.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.4 p -57.47 160.52 7.16 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.525 -171.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -53.55 -30.25 53.68 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.551 2.834 . . . . 0.0 114.004 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.741 HG21 ' HA ' ' A' ' 39' ' ' ALA . 3.6 m -81.94 112.37 34.57 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.864 0.364 . . . . 0.0 111.7 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 34.4 Cg_exo -67.08 -29.8 39.49 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.064 2.509 . . . . 0.0 112.379 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.98 -2.75 88.26 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.269 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.553 ' SG ' ' HD2' ' A' ' 37' ' ' PRO . 44.4 t -89.39 158.44 17.76 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.98 -21.81 14.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.43 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.54 -31.35 6.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.437 174.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.569 ' HA ' ' HB3' ' A' ' 29' ' ' SER . 0.0 OUTLIER -97.22 71.96 2.42 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 122.3 -0.53 . . . . 0.0 111.602 -176.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.69 -174.04 45.09 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.299 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.677 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 2.4 m-70 -152.41 144.08 23.53 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.535 ' N ' ' HB3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -76.28 -16.36 15.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 122.209 1.004 . . . . 0.0 108.794 175.375 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.545 ' OG1' ' HB3' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -67.75 -70.1 0.28 Allowed 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.612 177.876 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.79 13.7 10.07 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.243 -176.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.407 ' HB2' ' CD1' ' A' ' 27' ' ' TYR . 4.9 m120 -108.91 -16.84 14.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.51 -0.345 . . . . 0.0 110.917 -175.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.677 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 80.4 m-85 -132.7 149.29 52.31 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.658 -174.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.28 -34.16 42.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.85 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.569 ' HB3' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -155.6 173.09 17.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.522 0.201 . . . . 0.0 111.021 -177.879 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -142.11 -161.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ttp-105 -148.62 -27.68 0.31 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.292 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.56 -175.61 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.107 -179.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.51 HD23 ' HB2' ' A' ' 36' ' ' CYS . 1.6 mt -77.68 46.26 0.54 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.044 0.449 . . . . 0.0 112.021 -176.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.16 -8.99 15.63 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.025 0.44 . . . . 0.0 110.431 177.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.603 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -159.17 25.26 0.34 Allowed Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.47 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.51 ' HB2' HD23 ' A' ' 33' ' ' LEU . 7.6 m -62.65 109.79 2.75 Favored Pre-proline 0 C--O 1.233 0.203 0 O-C-N 123.736 0.315 . . . . 0.0 110.328 176.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.553 ' HD2' ' SG ' ' A' ' 17' ' ' CYS . 88.6 Cg_endo -81.81 -12.3 11.03 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.168 1.912 . . . . 0.0 112.088 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -113.73 31.33 6.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.626 175.587 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.741 ' HA ' HG21 ' A' ' 14' ' ' THR . . . -69.75 88.75 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.739 -176.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.698 ' HE3' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER 47.18 54.68 9.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.299 178.183 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' HE2' ' O ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -81.62 -65.4 1.02 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.846 -179.858 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.62 ' HB2' HG11 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -106.83 41.05 1.52 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.298 174.235 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.45 -170.9 27.4 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.606 -172.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -112.17 15.91 20.32 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.312 0.556 . . . . 0.0 110.551 178.226 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.88 66.52 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.264 178.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.62 HG11 ' HB2' ' A' ' 42' ' ' SER . 14.5 p . . . . . 0 C--O 1.25 1.119 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 52.65 74.28 0.29 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.039 0.447 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.39 110.75 0.67 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.112 -177.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.72 62.69 2.43 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.711 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.47 -32.63 71.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.984 -174.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.73 102.12 13.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.724 0.297 . . . . 0.0 110.596 179.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.09 -49.33 58.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.335 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 68.08 113.01 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.958 0.786 . . . . 0.0 111.571 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -79.47 82.55 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.498 0.666 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.28 18.37 19.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 20.2 mmtm 68.98 141.1 0.04 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-N 114.42 -1.264 . . . . 0.0 112.187 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.618 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -105.33 -173.0 0.26 Allowed Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 114.215 -1.357 . . . . 0.0 110.373 -170.638 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.618 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 47.5 Cg_exo -58.55 -26.21 77.7 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.465 2.11 . . . . 0.0 112.759 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.52 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 2.0 m -92.86 111.26 50.48 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.747 -177.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HD2' ' HD2' ' A' ' 40' ' ' LYS . 27.0 Cg_exo -67.82 -30.54 33.47 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.842 2.361 . . . . 0.0 112.415 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.73 0.58 89.36 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.414 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.754 ' SG ' ' HD2' ' A' ' 37' ' ' PRO . 48.6 t -84.24 168.48 15.67 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 178.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.53 -10.2 15.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.498 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.41 -45.87 2.93 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.344 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.96 64.39 3.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.389 0.614 . . . . 0.0 111.262 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.08 -169.97 33.11 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.55 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.599 ' CE1' ' HB3' ' A' ' 30' ' ' HIS . 3.9 m80 -160.28 146.75 15.65 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 123.296 0.638 . . . . 0.0 109.748 176.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.847 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -69.27 -31.15 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 175.159 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.818 HG23 ' H ' ' A' ' 26' ' ' ASN . 12.6 t -74.6 -21.84 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.554 176.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.45 6.8 43.24 Favored Glycine 0 C--N 1.333 0.408 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.983 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.818 ' H ' HG23 ' A' ' 24' ' ' THR . 27.3 m-80 -92.67 1.3 57.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.814 0.34 . . . . 0.0 111.519 -174.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -129.09 -164.72 1.42 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.757 -176.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.4 -37.76 2.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.172 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.08 178.44 10.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.407 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.599 ' HB3' ' CE1' ' A' ' 22' ' ' HIS . 36.0 p-80 -155.53 -159.79 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -154.68 -16.51 0.12 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.873 0.368 . . . . 0.0 111.129 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.41 174.05 8.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.436 -178.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.89 7.08 5.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.894 0.378 . . . . 0.0 111.676 -177.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -14.39 58.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.48 177.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -135.58 11.09 4.32 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.187 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.3 m -67.19 116.8 39.99 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.808 0.304 . . . . 0.0 110.844 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.847 ' HA ' HG12 ' A' ' 23' ' ' ILE . 92.4 Cg_endo -78.84 -5.43 14.64 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.82 2.346 . . . . 0.0 111.794 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.524 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 1.0 OUTLIER -134.73 45.27 2.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.532 -177.752 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.04 147.52 34.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.008 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HD3' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -75.49 43.78 0.25 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.14 0.495 . . . . 0.0 111.023 179.626 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.87 86.52 2.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.721 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.0 m 70.84 -62.2 0.45 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.771 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.84 43.94 3.25 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 121.27 -0.49 . . . . 0.0 113.009 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -31.69 61.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.18 0.514 . . . . 0.0 110.14 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.95 87.96 2.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.64 176.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.798 -0.62 . . . . 0.0 110.073 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.94 -29.2 64.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.917 0.389 . . . . 0.0 110.739 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.36 74.37 1.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.249 0.547 . . . . 0.0 110.0 176.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.448 ' HB1' ' OD1' ' A' ' 9' ' ' ASP . . . -153.01 -142.13 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.876 -177.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.617 ' HB3' ' HA ' ' A' ' 9' ' ' ASP . . . -77.7 79.37 4.19 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 173.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.485 ' HB3' ' H ' ' A' ' 7' ' ' SER . 11.4 t-80 59.56 -105.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.081 -170.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.485 ' H ' ' HB3' ' A' ' 6' ' ' HIS . 0.7 OUTLIER -132.58 19.74 4.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.057 0.456 . . . . 0.0 110.353 178.604 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.53 -58.51 2.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.439 -176.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.617 ' HA ' ' HB3' ' A' ' 5' ' ' ALA . 7.2 t70 51.93 60.34 3.91 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.748 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.71 -17.01 49.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.311 177.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 7.0 mmtp 66.1 109.03 0.04 OUTLIER 'General case' 0 C--O 1.231 0.097 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.556 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.586 ' HB2' ' CD ' ' A' ' 13' ' ' PRO . 1.1 p -84.83 -175.76 0.68 Allowed Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.94 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.586 ' CD ' ' HB2' ' A' ' 12' ' ' CYS . 25.8 Cg_exo -68.49 -29.62 30.54 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.942 1.762 . . . . 0.0 113.279 -175.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.539 HG21 ' O ' ' A' ' 38' ' ' ARG . 17.0 m -79.87 121.46 82.25 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.008 0.432 . . . . 0.0 112.128 -174.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.449 ' HG2' ' HB3' ' A' ' 44' ' ' LEU . 32.8 Cg_exo -65.87 -41.16 14.67 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.344 2.696 . . . . 0.0 112.643 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.79 -5.12 89.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.508 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.477 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 12.4 t -87.45 -165.84 1.41 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.17 -36.62 0.33 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.951 -177.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.75 -9.79 8.56 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.762 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -107.71 150.8 26.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.069 0.461 . . . . 0.0 111.033 179.382 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.2 -178.79 46.49 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.075 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.652 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 2.0 m-70 -153.83 150.87 28.88 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 176.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.496 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -70.04 -29.58 40.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 172.047 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.603 HG23 ' HB2' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -73.7 -13.81 61.04 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.674 174.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.11 10.66 34.94 Favored Glycine 0 C--N 1.336 0.552 0 N-CA-C 114.534 0.574 . . . . 0.0 114.534 172.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.603 ' HB2' HG23 ' A' ' 24' ' ' THR . 3.5 m-80 -107.64 13.75 26.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.395 -0.473 . . . . 0.0 111.955 -174.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.652 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 78.6 m-85 -141.43 175.47 9.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.42 -23.22 13.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.273 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -157.36 165.96 34.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.635 -179.475 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.534 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 25.6 p-80 -136.23 -157.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.053 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.41 ' H ' ' HB2' ' A' ' 30' ' ' HIS . 3.8 mtm-85 -147.08 -29.9 0.35 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.059 -178.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.7 OUTLIER -134.37 -169.28 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.744 0.307 . . . . 0.0 111.341 -175.811 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -5.34 47.31 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -8.4 59.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.983 176.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.561 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -125.74 -14.32 3.17 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.966 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.3 m -57.39 113.45 6.27 Favored Pre-proline 0 C--O 1.232 0.164 0 CA-C-N 116.768 0.284 . . . . 0.0 111.088 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.496 ' HA ' HG12 ' A' ' 23' ' ' ILE . 58.4 Cg_endo -73.97 -20.94 18.92 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.148 1.899 . . . . 0.0 110.894 176.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.539 ' O ' HG21 ' A' ' 14' ' ' THR . 0.1 OUTLIER -105.93 34.7 3.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.454 174.163 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.38 129.21 3.07 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.125 -0.943 . . . . 0.0 113.004 -173.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.516 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -72.91 103.2 3.66 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.629 177.266 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.99 -49.38 0.17 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.578 -178.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.53 32.08 4.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.384 174.524 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 138.93 159.81 8.15 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.682 -174.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.449 ' HB3' ' HG2' ' A' ' 15' ' ' PRO . 5.3 mt -83.1 1.67 39.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.101 0.451 . . . . 0.0 110.797 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.74 161.3 42.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.016 178.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.4 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.532 177.743 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.516 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.26 103.21 9.05 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.868 0.366 . . . . 0.0 110.046 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.94 155.18 25.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.555 -177.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.56 -133.65 1.68 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.422 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . . . -132.3 150.24 52.2 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -50.96 27.35 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.45 58.59 1.49 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.839 175.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . . . -79.46 51.88 1.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.321 0.582 . . . . 0.0 111.384 -176.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.613 ' HA ' ' HB3' ' A' ' 31' ' ' ARG . 2.9 t70 -90.37 55.2 2.97 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.192 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mt -88.78 -40.82 12.91 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.553 ' HD3' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -174.07 168.78 4.09 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.481 172.222 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.906 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 17.9 p -93.28 -178.33 0.83 Allowed Pre-proline 0 C--N 1.313 -1.016 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.333 -173.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.906 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 60.4 Cg_endo -71.23 -20.9 27.62 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.399 2.066 . . . . 0.0 112.476 177.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.572 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 28.6 m -72.5 118.67 69.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.114 0.483 . . . . 0.0 111.863 -177.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.532 ' HD2' ' HE2' ' A' ' 40' ' ' LYS . 27.8 Cg_exo -68.16 -29.04 33.57 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.27 2.647 . . . . 0.0 112.595 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.24 -8.79 83.12 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.607 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -81.88 172.65 13.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.906 0.384 . . . . 0.0 110.812 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.57 -9.81 12.6 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.621 170.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.33 -23.11 32.68 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.551 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.9 OUTLIER -102.47 150.72 23.09 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 122.456 -0.438 . . . . 0.0 111.391 -177.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.07 167.07 38.67 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.655 -0.702 . . . . 0.0 113.16 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.588 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.6 m-70 -144.36 160.2 41.43 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.395 0.678 . . . . 0.0 110.083 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.646 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -68.16 -36.5 75.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 172.666 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.588 HG22 ' HB3' ' A' ' 22' ' ' HIS . 13.1 t -68.74 -18.42 64.22 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.524 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.97 32.21 79.22 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.65 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.557 ' HB2' HG23 ' A' ' 24' ' ' THR . 28.2 m-20 -125.95 10.17 7.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.876 0.37 . . . . 0.0 111.011 -173.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -134.51 171.23 14.6 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.777 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.57 -36.05 10.42 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.983 0.421 . . . . 0.0 110.726 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -159.73 178.35 9.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.816 -178.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.519 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 55.3 p-80 -156.99 165.73 35.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.28 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.613 ' HB3' ' HA ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -137.99 16.32 2.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.93 0.395 . . . . 0.0 110.676 176.116 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.81 160.11 40.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.347 178.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.436 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -78.27 33.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.039 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.77 -22.88 17.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.055 0.455 . . . . 0.0 110.38 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.512 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -140.53 28.14 2.45 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.034 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 34.5 m -62.48 116.29 22.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.646 ' HA ' HG12 ' A' ' 23' ' ' ILE . 72.8 Cg_endo -78.64 -8.4 15.89 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.452 2.101 . . . . 0.0 111.321 176.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.91 41.06 3.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.818 176.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.494 ' O ' ' HD2' ' A' ' 41' ' ' LYS . . . -58.13 144.31 40.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.211 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.532 ' HE2' ' HD2' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -53.83 98.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.79 -175.545 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.494 ' HD2' ' O ' ' A' ' 39' ' ' ALA . 1.6 mptt -90.44 -169.55 2.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.297 176.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -40.17 96.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.053 0.454 . . . . 0.0 109.853 176.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.21 78.71 0.27 Allowed Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.546 174.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.528 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -58.3 -35.98 72.65 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.999 0.428 . . . . 0.0 110.72 -178.833 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.504 ' HG3' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -114.68 154.48 28.36 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 171.801 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.346 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 112.056 -0.417 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.66 96.21 10.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.68 0.276 . . . . 0.0 111.072 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.8 ttm 69.01 -88.68 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.807 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.53 -86.79 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.621 0.576 . . . . 0.0 110.697 -175.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -117.09 78.16 1.19 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.27 106.63 3.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.546 -177.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.33 86.58 7.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.559 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.68 -151.73 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.631 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -104.54 68.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.481 0.658 . . . . 0.0 110.384 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.95 -30.92 12.44 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 176.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -99.46 -154.2 0.46 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.886 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HB2' ' CD ' ' A' ' 13' ' ' PRO . 9.1 p -80.47 171.99 10.94 Favored Pre-proline 0 C--N 1.315 -0.917 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.682 -176.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 12.2 Cg_exo -75.65 -31.01 5.73 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 123.18 2.587 . . . . 0.0 112.79 -178.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.457 HG23 ' HG2' ' A' ' 40' ' ' LYS . 2.5 m -58.36 120.72 46.67 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -176.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 24.4 Cg_exo -69.0 -37.17 11.41 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.18 2.587 . . . . 0.0 112.791 -177.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.95 -1.48 88.81 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.78 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 37.9 t -98.14 158.68 15.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.661 0.267 . . . . 0.0 110.297 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.64 -14.91 16.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.802 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.18 -2.81 61.55 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.85 -0.691 . . . . 0.0 113.417 176.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -113.39 156.89 22.63 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.207 -0.584 . . . . 0.0 111.345 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.16 179.73 44.17 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.501 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.607 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 1.9 m-70 -144.01 158.32 43.78 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.857 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -68.48 -31.54 51.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 172.705 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.545 HG23 ' H ' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -74.94 -20.72 59.57 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.018 176.441 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.08 -16.9 13.65 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 121.311 -0.471 . . . . 0.0 114.166 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.545 ' H ' HG23 ' A' ' 24' ' ' THR . 15.6 m-20 -79.02 -1.26 34.73 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -172.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.607 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 72.2 m-85 -124.77 152.9 43.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.725 0.298 . . . . 0.0 110.454 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.53 -29.62 19.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.777 -176.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -163.03 173.68 13.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.741 -178.69 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -153.1 -171.9 4.07 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.95 12.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -178.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.471 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -147.83 164.58 33.22 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.334 -0.146 . . . . 0.0 110.815 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.434 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -76.92 72.42 3.49 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.453 0.644 . . . . 0.0 110.915 -178.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.19 -55.03 0.8 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.146 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -115.97 39.95 2.57 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.613 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.8 m -68.55 117.63 52.18 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.857 ' HA ' HG12 ' A' ' 23' ' ' ILE . 95.1 Cg_endo -76.19 -13.2 19.09 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.977 1.785 . . . . 0.0 110.12 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.481 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.4 OUTLIER -113.67 30.92 6.87 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.667 175.22 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.78 128.85 31.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.999 -178.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.601 ' HB3' ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -53.32 115.26 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.957 -176.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.18 -71.78 0.72 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.861 -178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.29 -19.69 22.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.624 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.27 94.25 0.19 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.815 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.601 ' HA ' ' HB3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -79.72 -53.0 7.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.382 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.36 131.18 53.57 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.849 171.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.715 -0.66 . . . . 0.0 110.402 -177.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 112.153 -0.379 . . . . 0.0 112.153 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.14 95.37 1.64 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.042 0.448 . . . . 0.0 110.68 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.0 tpp -112.48 121.25 44.28 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.604 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.88 54.33 2.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.697 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.88 145.36 19.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.343 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 97.73 4.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.32 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.53 91.61 0.79 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.241 -176.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.37 -25.72 12.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.23 0.538 . . . . 0.0 109.966 178.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.821 ' HA ' ' HB3' ' A' ' 31' ' ' ARG . 3.1 t70 -83.33 43.03 0.85 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.462 177.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.444 ' HG ' ' N ' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -83.07 -37.0 24.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.386 177.32 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.67 ' HD3' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 178.73 156.96 0.47 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.399 -0.819 . . . . 0.0 108.974 174.202 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.67 ' O ' ' HD3' ' A' ' 11' ' ' LYS . 6.9 p -86.33 173.63 6.57 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.759 -170.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.518 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 46.7 Cg_exo -59.78 -27.93 86.09 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.396 2.731 . . . . 0.0 113.263 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.614 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 16.8 m -75.0 122.04 86.6 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.571 -177.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 25.9 Cg_exo -70.83 -35.15 9.94 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.939 2.426 . . . . 0.0 112.763 -176.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.25 -40.61 15.63 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.749 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.614 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 47.3 t -70.9 139.02 50.63 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 174.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.49 -35.44 24.89 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.184 -0.322 . . . . 0.0 110.912 -173.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.01 -12.15 9.89 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -95.37 136.79 35.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.972 0.415 . . . . 0.0 110.726 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.27 -175.09 33.03 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.143 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.661 ' CE1' ' HB3' ' A' ' 30' ' ' HIS . 5.5 m80 -154.17 164.57 38.31 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.233 0.613 . . . . 0.0 109.622 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.7 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -72.6 -33.92 46.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.641 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.614 HG23 ' HB2' ' A' ' 26' ' ' ASN . 0.9 OUTLIER -76.48 -18.94 58.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.034 176.51 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.02 18.35 64.49 Favored Glycine 0 CA--C 1.523 0.586 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.812 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.614 ' HB2' HG23 ' A' ' 24' ' ' THR . 2.9 m-80 -106.66 10.7 30.94 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -130.84 -177.85 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.989 0.423 . . . . 0.0 111.069 -176.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.54 -44.46 6.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.533 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 p -159.55 177.58 10.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.806 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.661 ' HB3' ' CE1' ' A' ' 22' ' ' HIS . 46.4 p-80 -148.73 170.47 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.699 179.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.821 ' HB3' ' HA ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -137.55 6.78 2.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.846 0.355 . . . . 0.0 110.805 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.94 166.69 21.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.136 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.53 15.37 0.81 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -8.55 45.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -178.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -139.69 20.51 2.91 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.145 -1.026 . . . . 0.0 113.169 -176.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.8 m -69.93 112.35 12.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 111.885 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.7 ' HA ' HG12 ' A' ' 23' ' ' ILE . 85.6 Cg_endo -80.37 -18.12 9.85 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.82 2.347 . . . . 0.0 112.356 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -126.6 46.37 2.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.12 0.486 . . . . 0.0 110.26 178.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.481 ' C ' ' HG2' ' A' ' 40' ' ' LYS . . . -62.63 112.81 2.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.337 -177.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.873 ' HG3' ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 47.54 -133.46 1.21 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.086 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HB3' ' H ' ' A' ' 42' ' ' SER . 1.1 mptt -125.86 -138.77 0.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.447 ' H ' ' HB3' ' A' ' 41' ' ' LYS . 2.7 m -78.44 63.26 3.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.158 0.504 . . . . 0.0 110.545 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.36 91.92 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.229 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.873 ' HA ' ' HG3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -87.22 -7.52 57.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.976 0.417 . . . . 0.0 110.888 -176.375 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.7 27.87 7.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.36 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.784 -0.627 . . . . 0.0 110.52 -179.784 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.38 87.1 7.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.964 0.412 . . . . 0.0 110.497 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.3 tpt -76.01 132.87 40.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.166 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.89 76.79 2.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.109 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.11 -12.53 9.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.982 -173.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -128.93 107.6 9.75 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.615 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 5.1 m 67.14 -94.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.088 -174.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 44.1 -106.09 0.09 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -121.18 20.09 11.43 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.692 0.758 . . . . 0.0 110.694 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mt -100.11 -42.39 6.74 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.176 172.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.615 ' HB2' ' HA ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -111.82 122.81 48.8 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.205 177.864 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.546 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -67.3 172.77 3.32 Favored Pre-proline 0 C--N 1.313 -0.979 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.104 -178.647 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 12.4 Cg_endo -57.68 -32.75 95.43 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 123.211 2.608 . . . . 0.0 113.431 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.667 HG23 ' HD3' ' A' ' 40' ' ' LYS . 4.1 m -76.69 114.11 35.85 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -175.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.767 ' HG2' ' HB2' ' A' ' 44' ' ' LEU . 39.6 Cg_exo -66.93 -29.79 40.66 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.223 2.616 . . . . 0.0 112.808 -178.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.08 3.78 83.07 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.072 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 t -106.7 174.67 5.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.709 0.29 . . . . 0.0 110.22 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.51 -17.52 6.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.971 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.64 -4.35 46.73 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.471 -0.871 . . . . 0.0 113.085 176.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -110.3 146.04 36.39 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.789 0.328 . . . . 0.0 110.675 179.127 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.86 -174.89 43.05 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.263 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.666 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 3.0 m80 -152.38 160.22 43.32 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 123.454 0.702 . . . . 0.0 109.359 177.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.864 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -68.81 -29.57 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.674 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.576 HG23 ' HB2' ' A' ' 26' ' ' ASN . 1.3 t -76.46 -13.94 60.08 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.839 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.29 45.76 95.82 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.963 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.576 ' HB2' HG23 ' A' ' 24' ' ' THR . 15.8 m-80 -142.09 3.94 1.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -130.11 155.15 46.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.068 0.461 . . . . 0.0 111.022 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.0 -38.74 35.92 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.239 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -159.64 175.04 13.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.044 0.45 . . . . 0.0 111.676 -176.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.579 ' HB3' ' CE1' ' A' ' 22' ' ' HIS . 46.2 p-80 -154.04 -165.57 2.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.364 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.466 ' HE ' ' HB3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -159.46 15.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 110.6 177.286 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.42 174.16 11.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.395 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -5.9 48.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -5.93 55.27 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.241 0.543 . . . . 0.0 110.229 176.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.666 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -128.36 -12.71 2.75 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.727 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.62 110.53 3.0 Favored Pre-proline 0 CA--C 1.53 0.181 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.864 ' HA ' HG12 ' A' ' 23' ' ' ILE . 57.8 Cg_endo -71.95 -19.11 27.23 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.419 2.079 . . . . 0.0 111.669 176.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.64 40.12 2.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.503 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.25 133.04 24.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.765 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.667 ' HD3' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -88.27 158.22 18.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.109 179.396 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -111.77 -118.12 0.3 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.55 99.45 8.08 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.973 0.416 . . . . 0.0 110.268 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.2 108.87 3.15 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -175.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.767 ' HB2' ' HG2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.87 -64.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.679 0.276 . . . . 0.0 111.308 -175.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.667 ' H ' HD12 ' A' ' 44' ' ' LEU . 1.1 mtt180 -151.24 162.7 40.42 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.401 -0.809 . . . . 0.0 110.458 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.929 -0.468 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.04 36.85 3.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.918 0.389 . . . . 0.0 111.02 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.05 14.98 30.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.273 0.559 . . . . 0.0 110.391 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.64 103.46 15.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.169 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -113.77 54.36 0.75 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.305 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.95 -160.84 0.97 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.778 178.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 m 65.77 176.79 0.21 Allowed 'General case' 0 C--O 1.236 0.395 0 O-C-N 123.235 0.334 . . . . 0.0 110.404 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.6 46.95 24.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.494 0.664 . . . . 0.0 110.084 -174.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.501 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 3.2 t70 -90.87 58.68 3.89 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.382 -174.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.4 mt -100.14 -42.29 6.77 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.13 128.27 53.29 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.877 176.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.631 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 27.3 p -55.33 166.63 0.86 Allowed Pre-proline 0 C--N 1.309 -1.159 0 CA-C-N 113.699 -1.591 . . . . 0.0 111.375 178.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.835 ' HG2' ' HG ' ' A' ' 33' ' ' LEU . 37.2 Cg_endo -65.59 -28.27 53.03 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.733 2.289 . . . . 0.0 113.193 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.504 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 10.1 m -65.56 117.45 41.13 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -175.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 20.5 Cg_exo -72.61 -35.17 6.35 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.162 2.575 . . . . 0.0 112.622 -177.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.65 2.53 87.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.643 -178.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.504 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 8.5 t -84.33 -172.71 4.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.156 0.503 . . . . 0.0 110.958 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.34 -20.49 4.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.844 174.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.75 1.15 65.96 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.501 174.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.9 OUTLIER -117.21 156.58 27.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.08 0.44 . . . . 0.0 110.859 -179.758 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.432 ' O ' ' HD2' ' A' ' 22' ' ' HIS . . . 68.41 -168.18 42.71 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.97 -0.559 . . . . 0.0 113.345 178.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.667 ' C ' ' HB3' ' A' ' 37' ' ' PRO . 1.7 m170 -146.86 153.34 40.04 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 123.887 0.875 . . . . 0.0 109.512 176.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.81 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -61.73 -24.13 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 174.108 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -51.68 -56.72 12.08 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 112.699 -2.046 . . . . 0.0 112.268 169.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.68 19.24 32.5 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.649 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -127.65 9.26 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -175.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -125.31 167.96 14.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.797 0.332 . . . . 0.0 110.699 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.47 -29.47 11.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.741 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -167.35 173.68 8.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.085 0.469 . . . . 0.0 111.059 -179.12 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -152.51 172.76 16.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.548 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.501 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -136.87 -6.59 1.88 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.069 0.461 . . . . 0.0 110.866 -176.301 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.36 -179.47 5.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.835 ' HG ' ' HG2' ' A' ' 13' ' ' PRO . 4.3 mt -78.41 50.33 0.93 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.33 0.586 . . . . 0.0 110.853 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.36 -35.24 15.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.861 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.59 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -170.11 53.68 0.2 Allowed Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.274 -0.965 . . . . 0.0 113.004 -176.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.6 m -58.13 113.14 5.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.501 0.191 . . . . 0.0 110.577 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.81 ' HA ' HG12 ' A' ' 23' ' ' ILE . 94.3 Cg_endo -77.87 -13.73 15.82 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.337 2.024 . . . . 0.0 110.928 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.494 ' CB ' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -94.44 39.77 1.09 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.551 171.491 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.94 143.53 13.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.812 -174.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.41 ' HG3' ' HA ' ' A' ' 44' ' ' LEU . 5.0 mttp -51.98 -46.5 64.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.543 -177.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HB3' ' H ' ' A' ' 42' ' ' SER . 0.1 OUTLIER -160.66 -117.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.239 176.872 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.402 ' H ' ' HB3' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -78.34 60.12 2.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.54 0.686 . . . . 0.0 110.013 177.05 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.76 -179.8 16.16 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.826 -172.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.542 ' HB2' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -106.02 -9.24 17.13 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.872 0.368 . . . . 0.0 110.55 -178.866 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.41 83.81 1.99 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.91 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.387 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 112.066 -0.414 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -73.67 -37.8 65.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.65 0.262 . . . . 0.0 111.276 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.7 37.45 25.15 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -177.75 0.05 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.34 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 10' ' ' LEU . . . -82.9 -169.39 2.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.441 -177.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -80.43 55.22 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.267 0.556 . . . . 0.0 110.525 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.37 -164.61 0.93 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.462 -178.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.11 -2.66 49.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.259 0.552 . . . . 0.0 110.488 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -135.15 59.03 1.74 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.619 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 5' ' ' ALA . 1.3 pp -89.35 -20.38 24.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.06 176.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -116.0 -158.53 0.69 Allowed 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.962 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.705 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 3.1 p -87.44 173.19 6.83 Favored Pre-proline 0 C--N 1.313 -1.003 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.927 -172.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.705 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 51.9 Cg_endo -69.64 -35.19 13.47 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.826 2.351 . . . . 0.0 112.747 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.525 HG21 ' HA ' ' A' ' 39' ' ' ALA . 21.7 m -56.82 119.85 33.18 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -177.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 31.4 Cg_exo -64.59 -44.37 11.17 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.061 2.507 . . . . 0.0 113.217 -176.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.93 -15.05 79.89 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.91 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.522 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 49.5 t -86.94 153.51 21.53 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.92 -16.19 15.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.815 0.341 . . . . 0.0 111.025 -176.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.03 -1.32 56.38 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.248 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -104.78 151.96 23.14 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 122.469 -0.43 . . . . 0.0 110.306 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.13 -169.13 53.8 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.405 -177.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.647 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.4 m-70 -153.29 155.93 37.45 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.787 0.835 . . . . 0.0 109.831 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.63 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -68.5 -22.25 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.406 0.622 . . . . 0.0 110.087 175.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.617 HG23 ' HB2' ' A' ' 26' ' ' ASN . 8.2 t -81.65 -11.93 58.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.139 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.46 34.71 82.27 Favored Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.308 -0.472 . . . . 0.0 112.529 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.617 ' HB2' HG23 ' A' ' 24' ' ' THR . 14.8 m-20 -127.18 0.07 6.44 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -126.04 -175.82 3.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.991 0.424 . . . . 0.0 111.252 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.03 -36.03 6.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.12 173.7 12.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.948 0.404 . . . . 0.0 111.128 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 45.1 p-80 -149.66 -167.28 2.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.766 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -156.34 10.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.951 0.405 . . . . 0.0 111.291 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.402 ' C ' ' H ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -150.98 175.63 11.88 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.229 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.72 33.86 0.18 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.062 0.458 . . . . 0.0 111.571 -178.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -88.26 -28.71 20.92 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.611 179.086 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.647 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -150.6 39.68 0.84 Allowed Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.892 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.7 m -68.51 112.11 10.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.533 0.206 . . . . 0.0 110.933 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.63 ' HA ' HG12 ' A' ' 23' ' ' ILE . 73.6 Cg_endo -75.56 -13.85 20.15 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.451 2.101 . . . . 0.0 111.478 178.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -120.47 33.22 5.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.094 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.525 ' HA ' HG21 ' A' ' 14' ' ' THR . . . -62.03 109.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.154 -178.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 44' ' ' LEU . 3.6 mttp 66.06 166.83 0.2 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.405 -178.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -96.39 175.64 6.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.752 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.21 126.37 24.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.298 0.374 . . . . 0.0 110.631 177.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.477 ' HA2' HG22 ' A' ' 46' ' ' VAL . . . 91.19 40.68 5.42 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.741 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.517 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -70.4 -31.18 68.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.807 0.336 . . . . 0.0 110.987 -179.554 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.75 61.53 0.67 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.758 0.313 . . . . 0.0 110.589 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.477 HG22 ' HA2' ' A' ' 43' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.494 -0.765 . . . . 0.0 109.966 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -108.48 172.83 6.61 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.83 0.348 . . . . 0.0 111.126 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.1 ttt -85.77 93.14 8.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.438 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -143.39 81.2 1.7 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.276 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.54 -10.91 35.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.509 -176.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -119.58 -168.47 1.59 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.382 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.8 98.39 0.09 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.096 0.474 . . . . 0.0 111.222 -177.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.35 168.16 20.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.001 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -81.62 50.28 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.201 0.524 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -93.02 2.33 56.84 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.736 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 11.0 mmtt 71.89 143.12 0.06 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.648 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.48 ' SG ' ' HA2' ' A' ' 19' ' ' GLY . 0.5 OUTLIER -73.53 175.61 3.43 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.739 177.344 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HB2' ' HG ' ' A' ' 33' ' ' LEU . 86.7 Cg_exo -53.43 -27.27 39.15 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 122.418 2.079 . . . . 0.0 113.669 -176.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 34.2 m -81.68 121.41 79.58 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 121.226 0.536 . . . . 0.0 111.725 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 38.8 Cg_exo -66.54 -43.15 8.2 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.172 2.581 . . . . 0.0 112.757 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.73 5.62 73.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.041 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.538 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 5.9 t -86.69 -178.65 6.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.912 0.387 . . . . 0.0 111.193 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.57 -25.68 3.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.829 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.48 ' HA2' ' SG ' ' A' ' 12' ' ' CYS . . . 106.52 -7.45 39.55 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.02 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -116.05 158.91 22.43 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 122.445 -0.444 . . . . 0.0 110.468 179.29 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.39 -171.88 55.17 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.994 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.645 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.9 m-70 -156.62 164.31 38.33 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 123.219 0.607 . . . . 0.0 109.459 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.002 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -73.97 -28.05 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 172.688 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.645 HG22 ' HB3' ' A' ' 22' ' ' HIS . 13.9 t -73.02 -21.36 60.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.657 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.16 38.5 96.25 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.898 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.436 ' HB2' HG23 ' A' ' 24' ' ' THR . 40.9 m-20 -131.79 4.43 4.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.661 0.267 . . . . 0.0 111.462 -173.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.476 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 66.4 m-85 -129.88 -178.78 4.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.895 0.379 . . . . 0.0 111.019 -177.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.75 -41.75 6.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.704 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -155.87 177.61 11.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.028 -179.232 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.438 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 46.9 p-80 -157.02 -175.9 5.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.051 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.449 ' HA ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -160.46 38.33 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.702 0.763 . . . . 0.0 109.88 171.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.32 167.07 29.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.493 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' HG ' ' HB2' ' A' ' 13' ' ' PRO . 1.2 mt -76.36 -7.38 54.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.026 0.441 . . . . 0.0 110.368 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.0 -7.83 58.41 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.023 174.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.565 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -124.15 -20.9 2.4 Favored Glycine 0 N--CA 1.44 -1.047 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.505 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.3 m -58.94 109.64 2.04 Favored Pre-proline 0 C--O 1.233 0.209 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -177.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 1.002 ' HA ' HG12 ' A' ' 23' ' ' ILE . 75.5 Cg_endo -79.61 -12.39 13.78 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.665 2.243 . . . . 0.0 112.23 177.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.92 30.32 7.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.264 -178.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.91 143.81 20.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.966 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.608 ' HD3' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -72.06 134.96 46.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.81 0.338 . . . . 0.0 110.268 -178.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.477 ' HB2' ' HE3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -93.45 -85.3 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.728 -177.515 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.18 -40.05 7.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.546 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.51 62.26 4.61 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.823 176.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.608 HD23 ' HD3' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -59.22 -60.41 3.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.898 0.38 . . . . 0.0 110.433 -178.773 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.68 70.62 1.17 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.235 0.54 . . . . 0.0 109.996 176.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.4 -0.81 . . . . 0.0 109.89 179.594 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.84 113.12 25.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.751 0.31 . . . . 0.0 110.329 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.82 156.41 21.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.479 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.64 -42.33 91.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.781 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.42 -90.12 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.887 0.742 . . . . 0.0 112.01 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -67.82 -36.15 79.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.181 0.515 . . . . 0.0 110.21 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.71 31.95 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.229 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -105.04 148.46 26.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.732 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -98.71 45.5 1.01 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.484 0.659 . . . . 0.0 110.541 -178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.18 2.8 55.08 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.13 -160.9 1.01 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.696 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -89.05 177.99 2.25 Favored Pre-proline 0 C--N 1.313 -1.015 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.3 -178.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HB2' HD12 ' A' ' 33' ' ' LEU . 49.2 Cg_exo -62.85 -26.71 74.73 Favored 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 122.647 2.231 . . . . 0.0 113.293 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 87.8 m -71.94 119.82 76.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.958 0.409 . . . . 0.0 111.636 -178.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 33.3 Cg_exo -66.11 -35.08 34.92 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.052 2.501 . . . . 0.0 112.541 -176.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.69 7.55 81.6 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.742 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.409 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 4.9 t -101.4 -175.1 2.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.861 0.363 . . . . 0.0 110.585 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.86 -22.31 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.03 -6.73 32.68 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.013 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -106.23 148.1 28.32 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.205 -0.585 . . . . 0.0 110.796 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.8 -174.45 42.7 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.82 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.557 ' HB3' HG22 ' A' ' 24' ' ' THR . 3.1 m80 -160.15 155.03 24.42 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.779 0.832 . . . . 0.0 109.549 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.897 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -70.77 -31.07 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.96 0.409 . . . . 0.0 110.07 175.794 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.557 HG22 ' HB3' ' A' ' 22' ' ' HIS . 14.7 t -71.6 -24.63 61.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.267 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.19 38.36 91.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.005 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -130.33 -5.38 4.3 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -121.96 -177.73 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -178.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.23 -46.49 4.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.745 0.307 . . . . 0.0 111.235 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.03 170.65 19.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.229 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 22' ' ' HIS . 53.2 p-80 -146.92 -169.84 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.521 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.21 8.7 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.071 0.462 . . . . 0.0 111.162 177.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.71 171.32 14.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.273 177.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -77.03 11.22 1.89 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -13.68 46.27 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.758 0.313 . . . . 0.0 110.631 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -139.5 14.42 3.19 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.102 -1.047 . . . . 0.0 113.444 -176.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . 41.8 m -66.84 112.53 9.89 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.778 0.289 . . . . 0.0 110.958 178.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.897 ' HA ' HG12 ' A' ' 23' ' ' ILE . 68.3 Cg_endo -76.27 -9.46 19.0 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.685 2.257 . . . . 0.0 111.671 178.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.56 19.22 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.219 178.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.486 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . . . -59.62 110.43 1.13 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.552 178.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.916 ' HA ' ' HG ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 52.37 35.42 17.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.295 -176.106 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.93 103.6 0.15 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.676 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m 58.15 31.26 20.53 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.777 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.03 120.7 0.38 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.929 -176.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.916 ' HG ' ' HA ' ' A' ' 40' ' ' LYS . 68.4 mt -67.26 -27.83 67.54 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.588 -0.36 . . . . 0.0 111.553 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.9 ttp-105 -94.09 11.04 31.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.946 0.403 . . . . 0.0 111.24 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.112 177.843 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.909 -0.476 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -86.66 73.83 9.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.984 0.421 . . . . 0.0 110.87 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.1 mtp -92.43 -72.45 0.6 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.972 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.89 -72.38 0.65 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.923 175.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.74 -102.22 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.609 174.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -86.79 62.76 7.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.355 0.598 . . . . 0.0 109.934 174.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.79 72.8 10.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.513 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.31 156.4 42.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.86 -177.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 t70 55.01 37.79 29.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.029 177.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mt -100.35 -28.09 13.13 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 172.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.39 151.95 37.64 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.514 173.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 1.2 p -78.56 172.75 9.04 Favored Pre-proline 0 C--N 1.307 -1.263 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.44 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 52.8 Cg_exo -59.21 -38.96 82.81 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.014 2.476 . . . . 0.0 113.461 -177.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.698 HG23 ' HG3' ' A' ' 40' ' ' LYS . 7.6 m -69.13 116.09 38.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 0.0 111.989 -175.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.45 ' HB2' ' HG3' ' A' ' 45' ' ' ARG . 29.6 Cg_exo -66.95 -30.48 39.48 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.174 2.583 . . . . 0.0 112.436 -179.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.0 4.6 86.26 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.275 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.5 t -101.92 177.73 4.82 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.59 -16.96 4.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.386 -178.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.42 -3.65 50.62 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.354 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.94 148.25 28.86 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.362 -0.493 . . . . 0.0 110.817 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.3 -173.22 46.03 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.932 -178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.679 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 2.1 m-70 -155.97 166.8 32.39 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 122.962 0.505 . . . . 0.0 110.039 178.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.554 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -77.3 -28.77 16.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 172.889 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.561 HG23 ' H ' ' A' ' 26' ' ' ASN . 13.7 t -80.1 -27.35 39.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.605 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 34.19 85.39 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.172 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.561 ' H ' HG23 ' A' ' 24' ' ' THR . 12.5 m-20 -122.76 -3.5 8.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.723 0.297 . . . . 0.0 111.703 -176.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.618 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 36.9 m-85 -120.5 -168.61 1.67 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.207 -178.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.17 -48.5 3.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.543 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.49 175.24 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.446 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.503 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 49.8 p-80 -145.71 -174.56 4.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.643 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.41 10.42 0.43 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.912 0.387 . . . . 0.0 111.129 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.15 170.44 16.09 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.94 -3.12 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.945 0.402 . . . . 0.0 111.248 -177.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -13.68 59.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.421 0.629 . . . . 0.0 109.555 174.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.679 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -115.77 -18.26 6.12 Favored Glycine 0 N--CA 1.44 -1.055 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.948 -178.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.0 m -57.53 109.62 1.89 Allowed Pre-proline 0 C--O 1.234 0.243 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.554 ' HA ' HG12 ' A' ' 23' ' ' ILE . 74.3 Cg_endo -74.32 -7.05 19.25 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.377 2.051 . . . . 0.0 111.107 174.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.27 30.91 6.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.72 177.097 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HB3' ' HE3' ' A' ' 41' ' ' LYS . . . -46.55 138.6 5.74 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.763 -175.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.698 ' HG3' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -60.0 102.2 0.15 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.865 -177.439 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HE3' ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -102.78 -82.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.115 -179.806 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -36.74 55.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.144 0.497 . . . . 0.0 110.103 177.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.61 -179.71 16.63 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.454 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.61 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -106.98 -31.23 8.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.191 0.52 . . . . 0.0 110.338 178.437 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.45 ' HG3' ' HB2' ' A' ' 15' ' ' PRO . 0.8 OUTLIER -103.5 62.7 0.78 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.713 177.015 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.98 -0.533 . . . . 0.0 110.428 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -119.34 104.4 10.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.919 0.39 . . . . 0.0 110.812 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 mtp -84.09 58.25 4.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.223 0.535 . . . . 0.0 110.628 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -155.48 79.94 1.03 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.302 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.26 -57.46 10.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.248 -176.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -127.25 25.72 6.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.888 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.96 159.55 28.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.793 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.12 -177.73 6.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -178.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.53 93.63 1.6 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.265 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.68 4.89 51.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.486 176.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' NZ ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 64.59 130.62 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.62 -1.173 . . . . 0.0 112.467 -179.097 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.636 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 25.2 p -62.12 164.38 11.01 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.849 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.797 ' HG2' ' HG ' ' A' ' 33' ' ' LEU . 19.3 Cg_endo -59.29 -29.0 89.15 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 123.137 2.558 . . . . 0.0 112.651 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.541 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 21.9 m -62.89 115.19 15.51 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.431 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 38.9 Cg_exo -66.14 -46.78 4.06 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.888 2.392 . . . . 0.0 112.805 -176.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.29 3.5 77.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.002 -0.618 . . . . 0.0 113.345 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.541 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 0.5 OUTLIER -76.7 158.72 30.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.775 0.321 . . . . 0.0 111.348 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.36 -34.94 13.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.63 174.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.51 -17.74 56.24 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.896 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.72 77.42 1.13 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.651 0.725 . . . . 0.0 112.085 -175.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.6 -176.62 33.89 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.643 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.658 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.8 m-70 -144.38 148.15 34.32 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 175.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.524 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -67.92 -25.23 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.068 0.461 . . . . 0.0 109.998 176.317 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.658 HG22 ' HB3' ' A' ' 22' ' ' HIS . 5.8 t -70.54 -18.57 62.93 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.356 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.04 73.34 Favored Glycine 0 C--N 1.334 0.467 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.732 177.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.509 ' HB2' HG23 ' A' ' 24' ' ' THR . 19.8 m-20 -120.79 -1.18 10.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.844 0.354 . . . . 0.0 111.2 -176.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -125.82 170.1 11.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.505 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.84 -28.95 10.84 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.917 0.389 . . . . 0.0 110.642 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.9 179.31 9.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 22' ' ' HIS . 29.8 p-80 -161.84 164.79 28.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -146.75 19.24 1.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.697 0.284 . . . . 0.0 111.475 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.23 166.19 26.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.597 0.237 . . . . 0.0 110.612 178.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.797 ' HG ' ' HG2' ' A' ' 13' ' ' PRO . 2.7 mt -78.27 70.32 4.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.185 0.517 . . . . 0.0 110.826 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 m -132.92 -41.38 0.92 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.711 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.505 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -139.19 57.65 0.62 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.779 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.4 m -75.58 117.81 66.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.554 0.216 . . . . 0.0 111.034 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.524 ' HA ' HG12 ' A' ' 23' ' ' ILE . 71.5 Cg_endo -77.89 -23.91 8.95 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.724 2.283 . . . . 0.0 111.349 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.528 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -114.22 43.37 1.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.641 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.51 99.28 0.1 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.91 -174.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.403 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.0 OUTLIER 58.72 -147.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.812 178.645 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' H ' ' HB3' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -169.27 177.77 4.61 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.08 -45.7 93.65 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.4 66.23 0.28 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 171.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.432 ' HB3' ' H ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -61.55 131.41 50.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.685 -173.858 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.9 21.9 13.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.728 177.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.191 -0.909 . . . . 0.0 109.755 176.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 53.81 77.35 0.19 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.858 0.463 . . . . 0.0 111.566 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -120.89 132.67 55.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.499 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.52 97.97 6.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.09 0.471 . . . . 0.0 110.292 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -105.02 161.48 14.18 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.87 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -126.12 55.98 1.45 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.227 0.537 . . . . 0.0 109.708 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.8 -32.2 17.97 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.017 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.98 155.04 17.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.052 175.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -158.61 40.99 0.24 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.376 0.608 . . . . 0.0 110.219 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.36 -29.73 27.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.082 175.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' NZ ' ' SG ' ' A' ' 12' ' ' CYS . 1.6 pttp -135.62 -154.22 0.56 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.296 175.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' SG ' ' NZ ' ' A' ' 11' ' ' LYS . 7.2 p -75.49 167.77 33.77 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-O 120.834 0.35 . . . . 0.0 111.74 -177.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 34.2 Cg_exo -65.37 -37.98 28.34 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.289 2.66 . . . . 0.0 113.552 -176.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.471 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 4.4 m -64.16 119.11 52.92 Favored Pre-proline 0 N--CA 1.464 0.274 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -174.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 25.2 Cg_exo -69.51 -33.04 18.37 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.364 2.709 . . . . 0.0 112.522 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.54 4.53 85.58 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.201 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.9 t -100.43 173.4 6.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.5 -14.4 8.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.595 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.67 -4.62 61.69 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.364 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.14 156.53 18.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 117.038 0.419 . . . . 0.0 110.665 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.17 -168.71 54.75 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.364 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.739 ' CE1' ' HB3' ' A' ' 30' ' ' HIS . 2.6 m80 -155.78 158.83 38.78 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 123.503 0.721 . . . . 0.0 109.801 176.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.745 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -67.83 -29.84 46.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.211 0.529 . . . . 0.0 109.587 174.151 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 26' ' ' ASN . 3.1 t -79.97 -11.63 59.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.954 177.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.94 18.98 58.3 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.228 -0.442 . . . . 0.0 113.583 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.609 ' HB2' HG23 ' A' ' 24' ' ' THR . 39.9 m-20 -108.26 2.02 22.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.511 -0.405 . . . . 0.0 111.694 -174.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -132.16 154.73 49.24 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.933 -176.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.15 -39.12 50.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.58 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.66 171.56 20.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.794 0.331 . . . . 0.0 111.062 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.739 ' HB3' ' CE1' ' A' ' 22' ' ' HIS . 45.4 p-80 -143.62 -170.19 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.063 177.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mmm-85 -146.69 -10.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.662 0.268 . . . . 0.0 111.486 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 34' ' ' SER . 0.1 OUTLIER -133.05 173.89 10.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.817 -175.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.692 HD22 ' HG2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -76.58 23.03 0.16 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.284 0.564 . . . . 0.0 111.27 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -86.51 -17.77 33.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.825 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.61 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -153.28 30.09 0.79 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.115 -1.041 . . . . 0.0 113.614 -176.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.6 m -66.0 113.69 13.33 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 120.591 0.234 . . . . 0.0 110.69 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.745 ' HA ' HG12 ' A' ' 23' ' ' ILE . 73.1 Cg_endo -76.74 -8.27 17.96 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.374 2.049 . . . . 0.0 111.146 177.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.23 37.54 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.747 177.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.447 ' HB1' ' HB3' ' A' ' 44' ' ' LEU . . . -55.62 126.07 23.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.476 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HG2' ' H ' ' A' ' 40' ' ' LYS . 3.2 pttm -73.81 51.27 0.38 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -173.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt 49.91 -115.25 0.8 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.496 0.718 . . . . 0.0 112.515 173.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -66.83 118.03 9.78 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.981 0.42 . . . . 0.0 110.736 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.9 46.49 29.04 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.133 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.498 HD12 ' HG3' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -60.59 -42.06 95.97 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.481 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.692 ' HG2' HD22 ' A' ' 33' ' ' LEU . 4.3 mtm-85 -122.53 -83.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.949 169.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.449 ' H ' ' HB2' ' A' ' 45' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.369 175.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 112.333 -0.307 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.93 -59.8 2.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.604 0.24 . . . . 0.0 110.645 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.3 tpt -86.94 -56.86 3.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.888 0.375 . . . . 0.0 111.262 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.39 178.81 5.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.456 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.26 82.11 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.053 0.454 . . . . 0.0 109.909 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.88 140.23 14.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.536 -175.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.44 -35.46 75.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.035 0.445 . . . . 0.0 109.907 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.52 152.22 51.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.989 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -115.64 38.49 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.409 0.623 . . . . 0.0 110.416 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 74.7 mt -86.48 -24.85 25.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HE2' ' O ' ' A' ' 18' ' ' ASP . 4.3 mmtp -128.41 174.71 9.1 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.5 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.846 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 21.7 p -90.16 174.8 4.32 Favored Pre-proline 0 C--N 1.308 -1.233 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.91 178.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.846 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 27.5 Cg_endo -62.89 -25.05 74.25 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.955 2.436 . . . . 0.0 112.728 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 93.8 m -78.06 111.63 19.68 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.096 -176.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 31.1 Cg_exo -67.13 -29.54 39.57 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.122 2.548 . . . . 0.0 112.698 -179.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.78 2.18 85.75 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.984 -177.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.588 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -78.23 162.09 26.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.979 0.419 . . . . 0.0 111.945 -179.002 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.544 ' O ' ' HE2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -94.42 -31.95 13.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.736 172.718 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.88 -16.33 59.65 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 121.112 -0.566 . . . . 0.0 113.654 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.87 77.78 1.12 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 117.429 0.614 . . . . 0.0 111.374 -176.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.99 -172.72 35.18 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.316 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.65 ' CD2' ' HB3' ' A' ' 30' ' ' HIS . 1.8 m-70 -146.29 174.91 10.92 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.671 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -83.29 -35.49 11.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 172.567 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.768 HG23 ' H ' ' A' ' 26' ' ' ASN . 7.2 t -59.85 -35.8 75.52 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.061 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.59 13.38 70.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.883 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.768 ' H ' HG23 ' A' ' 24' ' ' THR . 28.3 m-80 -108.51 0.36 20.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.913 -0.169 . . . . 0.0 111.443 -176.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -126.45 166.92 16.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.754 0.311 . . . . 0.0 111.419 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.28 -22.41 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.13 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 p -157.84 176.55 12.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.271 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.65 ' HB3' ' CD2' ' A' ' 22' ' ' HIS . 31.1 p-80 -161.07 170.57 20.2 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.84 15.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 111.378 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.07 168.95 22.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.338 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.597 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -77.87 14.82 0.99 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.875 0.369 . . . . 0.0 111.55 -178.499 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -18.44 51.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.044 0.449 . . . . 0.0 110.886 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.554 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -152.93 36.85 0.77 Allowed Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.201 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 9.2 m -69.82 114.76 27.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 123.588 0.228 . . . . 0.0 111.104 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.671 ' HA ' HG12 ' A' ' 23' ' ' ILE . 56.7 Cg_endo -74.94 -16.29 20.45 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.595 2.197 . . . . 0.0 111.796 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.588 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -126.06 31.78 5.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.093 177.769 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.546 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . . . -54.39 120.05 6.05 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.303 -177.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.679 ' HG3' ' HA ' ' A' ' 44' ' ' LEU . 31.4 mmtm 56.54 -99.47 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.248 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' HB3' ' H ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -169.39 -113.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.238 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.439 ' H ' ' HB3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -93.62 53.28 1.83 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.355 0.598 . . . . 0.0 110.244 177.342 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.21 131.22 2.81 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.485 -176.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.679 ' HA ' ' HG3' ' A' ' 40' ' ' LYS . 3.7 mt -84.04 -27.15 28.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.773 0.321 . . . . 0.0 111.449 -175.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.9 ptt85 -89.97 15.33 10.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.784 -0.626 . . . . 0.0 110.521 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m 54.99 59.04 4.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.116 0.484 . . . . 0.0 111.509 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.578 ' HB3' ' HA ' ' A' ' 7' ' ' SER . 0.6 OUTLIER -117.97 17.11 14.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -178.801 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.28 -106.96 0.34 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.817 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -105.85 -36.93 6.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.047 0.451 . . . . 0.0 111.068 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -85.94 62.91 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.069 0.461 . . . . 0.0 110.623 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.578 ' HA ' ' HB3' ' A' ' 3' ' ' MET . 0.0 OUTLIER -72.85 -45.61 57.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.099 178.448 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -122.83 149.73 43.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.272 175.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -87.15 70.16 10.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.479 0.656 . . . . 0.0 109.937 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.18 -25.21 42.8 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.947 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.98 103.34 12.36 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.941 0.877 . . . . 0.0 111.793 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.533 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -57.13 171.63 0.44 Allowed Pre-proline 0 C--N 1.313 -0.999 0 CA-C-N 113.48 -1.691 . . . . 0.0 112.166 176.483 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 11.8 Cg_endo -55.79 -35.73 94.1 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.233 2.622 . . . . 0.0 113.438 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.824 HG21 ' HA ' ' A' ' 39' ' ' ALA . 4.0 m -69.66 111.76 9.97 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.692 0.282 . . . . 0.0 111.665 -179.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 26.5 Cg_exo -68.06 -25.45 37.88 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.875 2.384 . . . . 0.0 112.211 -178.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.97 -11.08 79.69 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.235 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.41 ' HA ' ' CB ' ' A' ' 38' ' ' ARG . 48.1 t -92.6 158.59 15.89 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.29 -16.33 16.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 0.0 110.779 -177.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.482 ' HA2' ' SG ' ' A' ' 12' ' ' CYS . . . 97.4 -3.4 61.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.224 175.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.22 162.86 13.68 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.497 -0.413 . . . . 0.0 110.716 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.42 -165.35 47.0 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.711 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.538 ' C ' ' HB3' ' A' ' 37' ' ' PRO . 1.8 m-70 -154.7 156.34 36.22 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.724 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -65.88 -23.23 31.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 173.625 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -61.98 2.22 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 113.723 -1.581 . . . . 0.0 111.9 173.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.99 26.21 8.55 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.644 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -123.36 -0.39 8.78 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -175.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -126.27 175.17 8.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.844 0.354 . . . . 0.0 111.218 -174.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.06 -37.67 9.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.607 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.46 172.23 15.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.584 0.231 . . . . 0.0 111.372 -178.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -140.3 -157.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.827 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -155.71 -18.96 0.11 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.741 0.305 . . . . 0.0 111.482 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.41 ' C ' ' H ' ' A' ' 34' ' ' SER . 0.7 OUTLIER -128.01 -177.43 4.13 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 -178.515 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.404 ' HG ' ' HG2' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -77.69 23.87 0.23 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.113 0.482 . . . . 0.0 111.403 -179.734 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -79.22 -28.21 42.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.545 178.725 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.519 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -151.93 40.19 0.76 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.252 -0.975 . . . . 0.0 113.171 -177.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.8 m -70.76 108.32 3.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 123.666 0.274 . . . . 0.0 110.384 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.724 ' HA ' HG12 ' A' ' 23' ' ' ILE . 77.6 Cg_endo -81.65 -2.63 11.55 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.387 2.058 . . . . 0.0 111.253 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.41 ' CB ' ' HA ' ' A' ' 17' ' ' CYS . 2.5 mtt180 -121.86 20.5 10.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.056 178.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.824 ' HA ' HG21 ' A' ' 14' ' ' THR . . . -60.58 109.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.676 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.31 30.04 17.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.018 -176.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.13 -89.17 0.28 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.211 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.67 48.19 1.49 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.447 177.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.43 109.23 0.64 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.489 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -110.71 -51.47 2.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.817 0.341 . . . . 0.0 110.882 -174.485 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.423 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -120.59 82.26 1.88 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.226 0.536 . . . . 0.0 110.594 -179.797 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.413 HG23 ' HB2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.878 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m 58.42 59.54 2.94 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.088 0.471 . . . . 0.0 111.35 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.97 -13.18 42.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.212 0.53 . . . . 0.0 110.557 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.6 35.26 0.41 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.93 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.85 52.11 2.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.635 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.29 163.37 18.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.583 178.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.3 -170.26 2.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.33 16.36 0.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.017 0.437 . . . . 0.0 111.722 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -94.94 34.8 1.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.631 0.729 . . . . 0.0 110.235 177.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.42 22.44 8.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.026 175.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 0.8 OUTLIER -109.2 -151.37 0.47 Allowed 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.63 -173.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.8 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 3.5 p -94.74 177.61 1.79 Allowed Pre-proline 0 C--N 1.316 -0.884 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -174.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.8 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 71.9 Cg_endo -75.42 -26.36 10.34 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.586 2.191 . . . . 0.0 112.738 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.636 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.6 m -62.05 116.49 22.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.202 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 34.8 Cg_exo -64.93 -38.85 27.3 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.993 2.462 . . . . 0.0 113.034 -176.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.452 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . -81.68 -13.0 80.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.668 -177.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.636 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 47.5 t -94.62 151.9 18.94 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.14 -16.44 17.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.025 -175.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.425 ' HA3' ' HB2' ' A' ' 11' ' ' LYS . . . 97.34 0.38 59.65 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.668 175.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -106.23 152.98 22.8 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 117.233 0.516 . . . . 0.0 110.516 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.95 -173.69 49.98 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.432 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.693 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.7 m-70 -150.27 157.86 43.53 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 122.944 0.497 . . . . 0.0 109.824 177.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.934 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -70.27 -31.31 46.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.019 0.438 . . . . 0.0 109.831 174.443 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.693 HG22 ' HB3' ' A' ' 22' ' ' HIS . 10.6 t -68.02 -25.31 65.33 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.054 177.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.89 49.08 44.28 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.514 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -144.79 5.86 1.19 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -174.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.503 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 97.7 m-85 -138.36 162.48 34.3 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.584 0.231 . . . . 0.0 110.965 -176.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.3 -38.96 18.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.762 0.315 . . . . 0.0 111.34 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.17 175.05 13.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.928 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.584 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 45.9 p-80 -145.24 -169.29 3.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.488 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.14 7.64 0.33 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -176.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.15 170.9 16.81 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.242 -0.183 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.416 HD11 ' HE3' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -77.56 41.56 0.33 Allowed 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.468 0.48 . . . . 0.0 111.761 -178.146 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.71 -45.26 4.06 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.855 0.36 . . . . 0.0 110.449 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.531 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -114.46 29.29 7.67 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.969 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.3 m -68.8 110.94 6.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.716 0.293 . . . . 0.0 111.514 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.934 ' HA ' HG12 ' A' ' 23' ' ' ILE . 72.3 Cg_endo -76.03 -21.6 13.84 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.144 1.896 . . . . 0.0 111.009 175.048 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -108.74 40.14 1.86 Allowed 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.874 176.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.4 149.53 10.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.888 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.546 ' HD2' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -41.75 115.06 0.6 Allowed 'General case' 0 C--O 1.236 0.365 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.949 -178.246 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.55 -158.85 0.67 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.528 -177.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.48 -32.52 73.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -176.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -98.97 -17.77 26.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.51 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.452 HD22 ' HA3' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -103.28 77.81 1.56 Allowed 'General case' 0 C--N 1.322 -0.599 0 O-C-N 122.867 -0.196 . . . . 0.0 110.849 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER 54.49 67.87 0.95 Allowed 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.649 0.593 . . . . 0.0 111.438 179.297 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.007 177.555 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 N-CA-C 111.848 -0.501 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.547 ' HA ' ' HB2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -90.82 119.31 30.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.765 0.317 . . . . 0.0 110.674 179.413 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 ttt -87.87 -45.64 10.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.541 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.56 -1.24 11.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.107 0.48 . . . . 0.0 111.157 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -105.47 -179.64 4.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.475 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.419 ' H ' HD21 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -137.87 173.12 11.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.41 179.259 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.29 68.22 8.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.214 0.531 . . . . 0.0 111.147 -178.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.468 ' HB3' HD23 ' A' ' 10' ' ' LEU . . . -145.37 176.36 9.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.583 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -79.8 36.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.461 0.648 . . . . 0.0 111.614 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.545 ' HG ' ' HG3' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -92.79 -17.81 23.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.801 172.159 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.545 ' HG3' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -132.44 -162.83 1.27 Allowed 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.775 178.21 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.4 p -69.63 167.87 20.55 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 121.066 0.46 . . . . 0.0 112.032 -176.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 27.5 Cg_exo -64.64 -31.47 59.46 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 123.329 2.686 . . . . 0.0 112.944 -179.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.621 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.8 m -64.97 118.2 46.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -174.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 27.7 Cg_exo -65.27 -37.05 33.16 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.364 2.709 . . . . 0.0 112.839 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.56 -22.77 63.87 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.554 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.621 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 53.8 t -89.52 168.05 12.48 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.547 ' HB2' ' HA ' ' A' ' 2' ' ' SER . 0.3 OUTLIER -120.48 -17.48 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.8 0.334 . . . . 0.0 111.22 -177.615 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.24 -2.33 43.65 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.28 -0.962 . . . . 0.0 113.278 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 m -100.61 134.6 43.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 117.153 0.477 . . . . 0.0 110.619 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.49 -171.94 38.76 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.242 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.738 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.9 m-70 -155.52 152.6 29.08 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.837 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -69.7 -29.27 40.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.221 0.534 . . . . 0.0 109.743 175.157 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.738 HG22 ' HB3' ' A' ' 22' ' ' HIS . 15.3 t -69.06 -22.16 64.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.194 178.209 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.2 41.98 98.12 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.071 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -136.23 8.84 3.2 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -137.41 -170.05 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.736 0.303 . . . . 0.0 111.24 -175.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.89 -42.01 3.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.505 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.03 179.44 7.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.499 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 44.5 p-80 -153.31 -168.29 2.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.608 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -156.7 11.86 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.263 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.586 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -144.53 169.96 16.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.601 178.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -77.0 30.62 0.13 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.017 0.437 . . . . 0.0 111.845 -178.513 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.36 -17.85 16.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.862 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -143.27 25.66 2.18 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.039 -1.077 . . . . 0.0 113.22 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.0 m -66.63 117.95 49.54 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.743 0.306 . . . . 0.0 111.335 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.837 ' HA ' HG12 ' A' ' 23' ' ' ILE . 56.3 Cg_endo -72.24 -12.1 27.41 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.617 2.212 . . . . 0.0 110.977 175.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 17' ' ' CYS . 0.2 OUTLIER -119.82 43.12 2.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.932 176.624 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.94 139.78 26.61 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.23 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.662 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -61.73 -25.37 67.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.722 -174.719 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.479 ' HA ' HD23 ' A' ' 44' ' ' LEU . 0.5 OUTLIER 65.59 -81.38 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.133 0.573 . . . . 0.0 110.959 -179.662 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.83 95.57 0.53 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 175.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.423 ' O ' ' HE2' ' A' ' 40' ' ' LYS . . . 71.3 60.36 4.47 Favored Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -172.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.662 ' HA ' ' HB2' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -77.26 -42.11 38.38 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.512 -174.551 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.457 ' HB2' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -129.74 38.3 3.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.021 0.439 . . . . 0.0 111.35 -178.29 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.794 -0.622 . . . . 0.0 109.445 174.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 51.3 Cg_exo -57.64 -44.31 42.67 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.096 2.531 . . . . 0.0 113.43 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.631 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.4 m -60.39 117.92 28.96 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 0.0 111.934 -176.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 25.1 Cg_exo -68.95 -32.77 21.33 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.189 2.593 . . . . 0.0 112.351 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.86 -23.28 64.47 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.721 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.631 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 48.6 t -88.91 161.97 16.37 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 174.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.62 -37.29 5.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.304 -176.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.6 -14.54 7.21 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.754 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -92.32 139.15 30.89 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 122.387 -0.478 . . . . 0.0 110.29 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.81 -169.97 30.28 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.33 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.596 ' C ' ' HB3' ' A' ' 37' ' ' PRO . 2.6 m-70 -159.03 153.23 23.74 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.862 0.865 . . . . 0.0 108.97 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.814 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -63.71 -26.55 40.93 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 173.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -61.64 2.11 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 113.611 -1.631 . . . . 0.0 111.82 174.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.68 44.87 4.43 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -141.38 5.1 1.83 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.501 -0.35 . . . . 0.0 111.109 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.546 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 25.2 m-85 -137.71 -177.94 5.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.299 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.5 -40.24 8.35 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.36 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.17 174.74 13.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.94 0.4 . . . . 0.0 111.63 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.477 ' C ' ' HG2' ' A' ' 31' ' ' ARG . 46.2 p-80 -148.3 176.89 9.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.044 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HG2' ' C ' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -143.53 22.39 1.83 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.984 0.421 . . . . 0.0 110.775 179.225 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.442 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 12.3 m -149.99 173.47 13.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.576 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.55 -2.83 34.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.966 0.413 . . . . 0.0 111.31 -178.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -21.12 46.03 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.042 0.448 . . . . 0.0 110.148 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.544 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -113.27 -8.2 19.86 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.109 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.3 m -58.3 112.13 4.49 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-O 120.949 0.404 . . . . 0.0 111.816 -178.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.814 ' HA ' HG12 ' A' ' 23' ' ' ILE . 87.3 Cg_endo -76.12 -10.89 19.53 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.307 2.005 . . . . 0.0 110.882 174.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.431 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.238 175.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.445 -0.709 0 CA-C-O 120.993 0.425 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HB2' ' HG ' ' A' ' 33' ' ' LEU . 51.3 Cg_exo -61.62 -14.43 35.64 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 123.466 2.777 . . . . 0.0 112.842 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.595 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.8 m -82.18 122.41 79.43 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.225 -175.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 21.8 Cg_exo -74.3 -35.99 3.51 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.191 2.594 . . . . 0.0 112.804 -177.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.97 -15.54 80.45 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.154 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.595 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 47.9 t -102.28 153.75 19.69 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.39 -9.81 23.03 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.125 -0.359 . . . . 0.0 111.502 -172.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.95 -14.86 59.89 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.095 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.97 143.9 27.39 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.404 -0.468 . . . . 0.0 110.572 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.89 -173.8 35.23 Favored Glycine 0 C--O 1.222 -0.643 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.036 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.66 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.9 m-70 -156.67 150.31 24.61 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 176.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.482 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -68.54 -22.27 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.223 0.535 . . . . 0.0 109.858 175.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.674 HG23 ' H ' ' A' ' 26' ' ' ASN . 6.0 t -82.23 -21.69 36.22 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.305 177.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.23 20.19 74.81 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.202 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.674 ' H ' HG23 ' A' ' 24' ' ' THR . 38.5 m-80 -110.07 1.82 19.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -175.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.599 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 92.6 m-85 -132.63 -172.99 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 111.384 -175.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -106.64 -43.04 4.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.028 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.82 174.38 15.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.676 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.59 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 42.7 p-80 -148.23 172.33 14.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.928 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 mmt85 -134.45 9.66 3.71 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.88 169.82 15.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.59 0.233 . . . . 0.0 111.094 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.485 HD23 ' OG1' ' A' ' 14' ' ' THR . 2.0 mt -77.68 0.63 22.66 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -177.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.25 -53.41 6.38 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -175.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.66 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -89.96 32.01 5.06 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.699 -174.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.2 m -78.46 116.04 56.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.793 0.296 . . . . 0.0 111.665 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.482 ' HA ' HG12 ' A' ' 23' ' ' ILE . 56.1 Cg_endo -70.81 -20.24 30.14 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.231 1.954 . . . . 0.0 110.793 173.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.481 ' HD2' ' HA ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.919 172.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.4 p . . . . . 0 CA--C 1.537 0.461 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -53.55 -30.25 53.68 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.551 2.834 . . . . 0.0 114.004 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 3.6 m -81.94 112.37 34.57 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.864 0.364 . . . . 0.0 111.7 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 34.4 Cg_exo -67.08 -29.8 39.49 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.064 2.509 . . . . 0.0 112.379 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.98 -2.75 88.26 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.269 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.553 ' SG ' ' HD2' ' A' ' 37' ' ' PRO . 44.4 t -89.39 158.44 17.76 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.98 -21.81 14.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.43 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.54 -31.35 6.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.437 174.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.569 ' HA ' ' HB3' ' A' ' 29' ' ' SER . 0.0 OUTLIER -97.22 71.96 2.42 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 122.3 -0.53 . . . . 0.0 111.602 -176.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.69 -174.04 45.09 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.299 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.677 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 2.4 m-70 -152.41 144.08 23.53 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.535 ' N ' ' HB3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -76.28 -16.36 15.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 122.209 1.004 . . . . 0.0 108.794 175.375 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.545 ' OG1' ' HB3' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -67.75 -70.1 0.28 Allowed 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.612 177.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.79 13.7 10.07 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.243 -176.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.407 ' HB2' ' CD1' ' A' ' 27' ' ' TYR . 4.9 m120 -108.91 -16.84 14.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.51 -0.345 . . . . 0.0 110.917 -175.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.677 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 80.4 m-85 -132.7 149.29 52.31 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.658 -174.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.28 -34.16 42.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.85 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.569 ' HB3' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -155.6 173.09 17.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.522 0.201 . . . . 0.0 111.021 -177.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -142.11 -161.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ttp-105 -148.62 -27.68 0.31 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.292 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.56 -175.61 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.107 -179.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.51 HD23 ' HB2' ' A' ' 36' ' ' CYS . 1.6 mt -77.68 46.26 0.54 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.044 0.449 . . . . 0.0 112.021 -176.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.16 -8.99 15.63 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.025 0.44 . . . . 0.0 110.431 177.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.603 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -159.17 25.26 0.34 Allowed Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.47 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.51 ' HB2' HD23 ' A' ' 33' ' ' LEU . 7.6 m -62.65 109.79 2.75 Favored Pre-proline 0 C--O 1.233 0.203 0 O-C-N 123.736 0.315 . . . . 0.0 110.328 176.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.553 ' HD2' ' SG ' ' A' ' 17' ' ' CYS . 88.6 Cg_endo -81.81 -12.3 11.03 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.168 1.912 . . . . 0.0 112.088 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.626 175.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.618 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER . . . . . 0 N--CA 1.446 -0.632 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.618 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 47.5 Cg_exo -58.55 -26.21 77.7 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.465 2.11 . . . . 0.0 112.759 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.52 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 2.0 m -92.86 111.26 50.48 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.747 -177.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -67.82 -30.54 33.47 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.842 2.361 . . . . 0.0 112.415 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.73 0.58 89.36 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.414 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.754 ' SG ' ' HD2' ' A' ' 37' ' ' PRO . 48.6 t -84.24 168.48 15.67 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 178.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.53 -10.2 15.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.498 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.41 -45.87 2.93 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.344 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.96 64.39 3.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.389 0.614 . . . . 0.0 111.262 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.08 -169.97 33.11 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.55 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 2.1 m-70 -160.28 146.75 15.65 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 123.296 0.638 . . . . 0.0 109.748 176.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.847 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -69.27 -31.15 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 175.159 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.818 HG23 ' H ' ' A' ' 26' ' ' ASN . 12.6 t -74.6 -21.84 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.554 176.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.45 6.8 43.24 Favored Glycine 0 C--N 1.333 0.408 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.983 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.818 ' H ' HG23 ' A' ' 24' ' ' THR . 27.3 m-80 -92.67 1.3 57.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.814 0.34 . . . . 0.0 111.519 -174.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.549 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 78.9 m-85 -129.09 -164.72 1.42 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.757 -176.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.4 -37.76 2.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.172 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.08 178.44 10.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.407 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.407 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 36.0 p-80 -155.53 -159.79 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -154.68 -16.51 0.12 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.873 0.368 . . . . 0.0 111.129 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.41 174.05 8.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.436 -178.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.89 7.08 5.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.894 0.378 . . . . 0.0 111.676 -177.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -14.39 58.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.48 177.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -135.58 11.09 4.32 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.187 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.3 m -67.19 116.8 39.99 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.808 0.304 . . . . 0.0 110.844 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.847 ' HA ' HG12 ' A' ' 23' ' ' ILE . 92.4 Cg_endo -78.84 -5.43 14.64 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.82 2.346 . . . . 0.0 111.794 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.524 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.532 -177.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.586 ' HB2' ' CD ' ' A' ' 13' ' ' PRO . 1.1 p . . . . . 0 N--CA 1.448 -0.573 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.586 ' CD ' ' HB2' ' A' ' 12' ' ' CYS . 25.8 Cg_exo -68.49 -29.62 30.54 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.942 1.762 . . . . 0.0 113.279 -175.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.539 HG21 ' O ' ' A' ' 38' ' ' ARG . 17.0 m -79.87 121.46 82.25 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.008 0.432 . . . . 0.0 112.128 -174.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 32.8 Cg_exo -65.87 -41.16 14.67 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.344 2.696 . . . . 0.0 112.643 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.79 -5.12 89.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.508 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.477 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 12.4 t -87.45 -165.84 1.41 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.17 -36.62 0.33 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.951 -177.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.75 -9.79 8.56 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.762 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -107.71 150.8 26.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.069 0.461 . . . . 0.0 111.033 179.382 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.2 -178.79 46.49 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.075 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.652 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 2.0 m-70 -153.83 150.87 28.88 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 176.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.496 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -70.04 -29.58 40.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 172.047 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.603 HG23 ' HB2' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -73.7 -13.81 61.04 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.674 174.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.11 10.66 34.94 Favored Glycine 0 C--N 1.336 0.552 0 N-CA-C 114.534 0.574 . . . . 0.0 114.534 172.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.603 ' HB2' HG23 ' A' ' 24' ' ' THR . 3.5 m-80 -107.64 13.75 26.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.395 -0.473 . . . . 0.0 111.955 -174.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.652 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 78.6 m-85 -141.43 175.47 9.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.42 -23.22 13.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.273 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -157.36 165.96 34.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.635 -179.475 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.534 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 25.6 p-80 -136.23 -157.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.053 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.41 ' H ' ' HB2' ' A' ' 30' ' ' HIS . 3.8 mtm-85 -147.08 -29.9 0.35 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.059 -178.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.7 OUTLIER -134.37 -169.28 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.744 0.307 . . . . 0.0 111.341 -175.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -5.34 47.31 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -8.4 59.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.983 176.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.561 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -125.74 -14.32 3.17 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.966 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.3 m -57.39 113.45 6.27 Favored Pre-proline 0 C--O 1.232 0.164 0 CA-C-N 116.768 0.284 . . . . 0.0 111.088 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.496 ' HA ' HG12 ' A' ' 23' ' ' ILE . 58.4 Cg_endo -73.97 -20.94 18.92 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.148 1.899 . . . . 0.0 110.894 176.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.539 ' O ' HG21 ' A' ' 14' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.454 174.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.906 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 17.9 p . . . . . 0 CA--C 1.54 0.563 0 N-CA-C 111.333 0.123 . . . . 0.0 111.333 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.906 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 60.4 Cg_endo -71.23 -20.9 27.62 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.399 2.066 . . . . 0.0 112.476 177.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.572 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 28.6 m -72.5 118.67 69.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.114 0.483 . . . . 0.0 111.863 -177.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 27.8 Cg_exo -68.16 -29.04 33.57 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.27 2.647 . . . . 0.0 112.595 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.24 -8.79 83.12 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.607 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -81.88 172.65 13.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.906 0.384 . . . . 0.0 110.812 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.57 -9.81 12.6 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.621 170.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.33 -23.11 32.68 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.551 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.9 OUTLIER -102.47 150.72 23.09 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 122.456 -0.438 . . . . 0.0 111.391 -177.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.07 167.07 38.67 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.655 -0.702 . . . . 0.0 113.16 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.588 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.6 m-70 -144.36 160.2 41.43 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.395 0.678 . . . . 0.0 110.083 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.646 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -68.16 -36.5 75.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 172.666 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.588 HG22 ' HB3' ' A' ' 22' ' ' HIS . 13.1 t -68.74 -18.42 64.22 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.524 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.97 32.21 79.22 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.65 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.557 ' HB2' HG23 ' A' ' 24' ' ' THR . 28.2 m-20 -125.95 10.17 7.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.876 0.37 . . . . 0.0 111.011 -173.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -134.51 171.23 14.6 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.777 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.57 -36.05 10.42 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.983 0.421 . . . . 0.0 110.726 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -159.73 178.35 9.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.816 -178.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.519 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 55.3 p-80 -156.99 165.73 35.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.28 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HE ' ' HB2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -137.99 16.32 2.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.93 0.395 . . . . 0.0 110.676 176.116 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.81 160.11 40.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.347 178.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.436 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -78.27 33.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.039 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.77 -22.88 17.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.055 0.455 . . . . 0.0 110.38 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.512 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -140.53 28.14 2.45 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.034 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 34.5 m -62.48 116.29 22.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.646 ' HA ' HG12 ' A' ' 23' ' ' ILE . 72.8 Cg_endo -78.64 -8.4 15.89 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.452 2.101 . . . . 0.0 111.321 176.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.818 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HB2' ' CD ' ' A' ' 13' ' ' PRO . 9.1 p . . . . . 0 N--CA 1.449 -0.502 0 CA-C-O 120.642 0.258 . . . . 0.0 111.682 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 12.2 Cg_exo -75.65 -31.01 5.73 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 123.18 2.587 . . . . 0.0 112.79 -178.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 2.5 m -58.36 120.72 46.67 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -176.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 24.4 Cg_exo -69.0 -37.17 11.41 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.18 2.587 . . . . 0.0 112.791 -177.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.95 -1.48 88.81 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.78 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 37.9 t -98.14 158.68 15.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.661 0.267 . . . . 0.0 110.297 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.64 -14.91 16.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.802 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.18 -2.81 61.55 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.85 -0.691 . . . . 0.0 113.417 176.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -113.39 156.89 22.63 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.207 -0.584 . . . . 0.0 111.345 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.16 179.73 44.17 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.501 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.607 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 1.9 m-70 -144.01 158.32 43.78 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.857 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -68.48 -31.54 51.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 172.705 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.545 HG23 ' H ' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -74.94 -20.72 59.57 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.018 176.441 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.08 -16.9 13.65 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 121.311 -0.471 . . . . 0.0 114.166 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.545 ' H ' HG23 ' A' ' 24' ' ' THR . 15.6 m-20 -79.02 -1.26 34.73 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -172.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.607 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 72.2 m-85 -124.77 152.9 43.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.725 0.298 . . . . 0.0 110.454 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.53 -29.62 19.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.777 -176.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -163.03 173.68 13.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.741 -178.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -153.1 -171.9 4.07 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.95 12.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -178.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.471 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -147.83 164.58 33.22 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.334 -0.146 . . . . 0.0 110.815 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.434 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -76.92 72.42 3.49 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.453 0.644 . . . . 0.0 110.915 -178.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.19 -55.03 0.8 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.146 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -115.97 39.95 2.57 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.613 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.8 m -68.55 117.63 52.18 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.857 ' HA ' HG12 ' A' ' 23' ' ' ILE . 95.1 Cg_endo -76.19 -13.2 19.09 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.977 1.785 . . . . 0.0 110.12 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.481 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.381 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.667 175.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.518 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 6.9 p . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.518 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 46.7 Cg_exo -59.78 -27.93 86.09 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.396 2.731 . . . . 0.0 113.263 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.614 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 16.8 m -75.0 122.04 86.6 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.571 -177.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 25.9 Cg_exo -70.83 -35.15 9.94 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.939 2.426 . . . . 0.0 112.763 -176.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.25 -40.61 15.63 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.749 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.614 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 47.3 t -70.9 139.02 50.63 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 174.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.49 -35.44 24.89 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.184 -0.322 . . . . 0.0 110.912 -173.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.01 -12.15 9.89 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -95.37 136.79 35.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.972 0.415 . . . . 0.0 110.726 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.27 -175.09 33.03 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.143 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.554 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 1.9 m-70 -154.17 164.57 38.31 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.233 0.613 . . . . 0.0 109.622 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.7 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -72.6 -33.92 46.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.641 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.614 HG23 ' HB2' ' A' ' 26' ' ' ASN . 0.9 OUTLIER -76.48 -18.94 58.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.034 176.51 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.02 18.35 64.49 Favored Glycine 0 CA--C 1.523 0.586 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.812 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.614 ' HB2' HG23 ' A' ' 24' ' ' THR . 2.9 m-80 -106.66 10.7 30.94 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.554 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 67.9 m-85 -130.84 -177.85 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.989 0.423 . . . . 0.0 111.069 -176.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.54 -44.46 6.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.533 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 p -159.55 177.58 10.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.806 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.462 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 46.4 p-80 -148.73 170.47 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.699 179.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -137.55 6.78 2.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.846 0.355 . . . . 0.0 110.805 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.94 166.69 21.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.136 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.53 15.37 0.81 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -8.55 45.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -178.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -139.69 20.51 2.91 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.145 -1.026 . . . . 0.0 113.169 -176.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.8 m -69.93 112.35 12.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 111.885 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.7 ' HA ' HG12 ' A' ' 23' ' ' ILE . 85.6 Cg_endo -80.37 -18.12 9.85 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.82 2.347 . . . . 0.0 112.356 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 121.12 0.486 . . . . 0.0 110.26 178.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.546 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.446 -0.632 0 CA-C-O 120.423 0.154 . . . . 0.0 111.104 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 12.4 Cg_endo -57.68 -32.75 95.43 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 123.211 2.608 . . . . 0.0 113.431 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 4.1 m -76.69 114.11 35.85 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -175.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 39.6 Cg_exo -66.93 -29.79 40.66 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.223 2.616 . . . . 0.0 112.808 -178.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.08 3.78 83.07 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.072 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 t -106.7 174.67 5.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.709 0.29 . . . . 0.0 110.22 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.51 -17.52 6.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.971 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.64 -4.35 46.73 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.471 -0.871 . . . . 0.0 113.085 176.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -110.3 146.04 36.39 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.789 0.328 . . . . 0.0 110.675 179.127 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.86 -174.89 43.05 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.263 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.666 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.6 m-70 -152.38 160.22 43.32 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 123.454 0.702 . . . . 0.0 109.359 177.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.864 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -68.81 -29.57 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.674 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.576 HG23 ' HB2' ' A' ' 26' ' ' ASN . 1.3 t -76.46 -13.94 60.08 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.839 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.29 45.76 95.82 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.963 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.576 ' HB2' HG23 ' A' ' 24' ' ' THR . 15.8 m-80 -142.09 3.94 1.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.524 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 80.5 m-85 -130.11 155.15 46.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.068 0.461 . . . . 0.0 111.022 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.0 -38.74 35.92 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.239 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -159.64 175.04 13.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.044 0.45 . . . . 0.0 111.676 -176.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -154.04 -165.57 2.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.364 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.466 ' HE ' ' HB3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -159.46 15.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 110.6 177.286 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.42 174.16 11.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.395 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -5.9 48.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -5.93 55.27 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.241 0.543 . . . . 0.0 110.229 176.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.666 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -128.36 -12.71 2.75 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.727 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.62 110.53 3.0 Favored Pre-proline 0 CA--C 1.53 0.181 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.864 ' HA ' HG12 ' A' ' 23' ' ' ILE . 57.8 Cg_endo -71.95 -19.11 27.23 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.419 2.079 . . . . 0.0 111.669 176.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.503 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.631 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 27.3 p . . . . . 0 N--CA 1.45 -0.432 0 CA-C-O 120.82 0.343 . . . . 0.0 111.375 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.835 ' HG2' ' HG ' ' A' ' 33' ' ' LEU . 37.2 Cg_endo -65.59 -28.27 53.03 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.733 2.289 . . . . 0.0 113.193 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.504 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 10.1 m -65.56 117.45 41.13 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -175.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 20.5 Cg_exo -72.61 -35.17 6.35 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.162 2.575 . . . . 0.0 112.622 -177.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.65 2.53 87.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.643 -178.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.504 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 8.5 t -84.33 -172.71 4.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.156 0.503 . . . . 0.0 110.958 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.34 -20.49 4.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.844 174.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.75 1.15 65.96 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.501 174.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.9 OUTLIER -117.21 156.58 27.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.08 0.44 . . . . 0.0 110.859 -179.758 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.432 ' O ' ' HD2' ' A' ' 22' ' ' HIS . . . 68.41 -168.18 42.71 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.97 -0.559 . . . . 0.0 113.345 178.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.667 ' C ' ' HB3' ' A' ' 37' ' ' PRO . 1.7 m170 -146.86 153.34 40.04 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 123.887 0.875 . . . . 0.0 109.512 176.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.81 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -61.73 -24.13 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 174.108 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -51.68 -56.72 12.08 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 112.699 -2.046 . . . . 0.0 112.268 169.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.68 19.24 32.5 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.649 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -127.65 9.26 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -175.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -125.31 167.96 14.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.797 0.332 . . . . 0.0 110.699 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.47 -29.47 11.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.741 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -167.35 173.68 8.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.085 0.469 . . . . 0.0 111.059 -179.12 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -152.51 172.76 16.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.548 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.87 -6.59 1.88 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.069 0.461 . . . . 0.0 110.866 -176.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.36 -179.47 5.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.835 ' HG ' ' HG2' ' A' ' 13' ' ' PRO . 4.3 mt -78.41 50.33 0.93 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.33 0.586 . . . . 0.0 110.853 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.36 -35.24 15.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.861 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.59 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -170.11 53.68 0.2 Allowed Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.274 -0.965 . . . . 0.0 113.004 -176.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.6 m -58.13 113.14 5.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.501 0.191 . . . . 0.0 110.577 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.81 ' HA ' HG12 ' A' ' 23' ' ' ILE . 94.3 Cg_endo -77.87 -13.73 15.82 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.337 2.024 . . . . 0.0 110.928 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.494 ' CB ' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.551 171.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.705 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 3.1 p . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.705 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 51.9 Cg_endo -69.64 -35.19 13.47 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.826 2.351 . . . . 0.0 112.747 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.522 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 21.7 m -56.82 119.85 33.18 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -177.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 31.4 Cg_exo -64.59 -44.37 11.17 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.061 2.507 . . . . 0.0 113.217 -176.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.93 -15.05 79.89 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.91 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.522 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 49.5 t -86.94 153.51 21.53 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.92 -16.19 15.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.815 0.341 . . . . 0.0 111.025 -176.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.03 -1.32 56.38 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.248 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -104.78 151.96 23.14 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 122.469 -0.43 . . . . 0.0 110.306 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.13 -169.13 53.8 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.405 -177.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.647 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.4 m-70 -153.29 155.93 37.45 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.787 0.835 . . . . 0.0 109.831 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.63 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -68.5 -22.25 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.406 0.622 . . . . 0.0 110.087 175.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.617 HG23 ' HB2' ' A' ' 26' ' ' ASN . 8.2 t -81.65 -11.93 58.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.139 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.46 34.71 82.27 Favored Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.308 -0.472 . . . . 0.0 112.529 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.617 ' HB2' HG23 ' A' ' 24' ' ' THR . 14.8 m-20 -127.18 0.07 6.44 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -126.04 -175.82 3.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.991 0.424 . . . . 0.0 111.252 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.03 -36.03 6.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.12 173.7 12.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.948 0.404 . . . . 0.0 111.128 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.448 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 45.1 p-80 -149.66 -167.28 2.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.766 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -156.34 10.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.951 0.405 . . . . 0.0 111.291 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.402 ' C ' ' H ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -150.98 175.63 11.88 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.229 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.72 33.86 0.18 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.062 0.458 . . . . 0.0 111.571 -178.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -88.26 -28.71 20.92 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.611 179.086 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.647 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -150.6 39.68 0.84 Allowed Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.892 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.7 m -68.51 112.11 10.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.533 0.206 . . . . 0.0 110.933 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.63 ' HA ' HG12 ' A' ' 23' ' ' ILE . 73.6 Cg_endo -75.56 -13.85 20.15 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.451 2.101 . . . . 0.0 111.478 178.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.094 177.844 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.48 ' SG ' ' HA2' ' A' ' 19' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HB2' ' HG ' ' A' ' 33' ' ' LEU . 86.7 Cg_exo -53.43 -27.27 39.15 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 122.418 2.079 . . . . 0.0 113.669 -176.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 34.2 m -81.68 121.41 79.58 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 121.226 0.536 . . . . 0.0 111.725 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 38.8 Cg_exo -66.54 -43.15 8.2 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.172 2.581 . . . . 0.0 112.757 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.73 5.62 73.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.041 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.538 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 5.9 t -86.69 -178.65 6.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.912 0.387 . . . . 0.0 111.193 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.57 -25.68 3.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.829 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.48 ' HA2' ' SG ' ' A' ' 12' ' ' CYS . . . 106.52 -7.45 39.55 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.02 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -116.05 158.91 22.43 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 122.445 -0.444 . . . . 0.0 110.468 179.29 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.39 -171.88 55.17 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.994 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.645 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.9 m-70 -156.62 164.31 38.33 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 123.219 0.607 . . . . 0.0 109.459 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.002 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -73.97 -28.05 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 172.688 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.645 HG22 ' HB3' ' A' ' 22' ' ' HIS . 13.9 t -73.02 -21.36 60.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.657 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.16 38.5 96.25 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.898 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.436 ' HB2' HG23 ' A' ' 24' ' ' THR . 40.9 m-20 -131.79 4.43 4.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.661 0.267 . . . . 0.0 111.462 -173.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.476 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 66.4 m-85 -129.88 -178.78 4.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.895 0.379 . . . . 0.0 111.019 -177.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.75 -41.75 6.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.704 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -155.87 177.61 11.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.028 -179.232 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.438 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 46.9 p-80 -157.02 -175.9 5.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.051 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.449 ' HA ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -160.46 38.33 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.702 0.763 . . . . 0.0 109.88 171.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.32 167.07 29.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.493 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.402 ' HG ' ' HB2' ' A' ' 13' ' ' PRO . 1.2 mt -76.36 -7.38 54.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.026 0.441 . . . . 0.0 110.368 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.0 -7.83 58.41 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.023 174.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.565 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -124.15 -20.9 2.4 Favored Glycine 0 N--CA 1.44 -1.047 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.505 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.3 m -58.94 109.64 2.04 Favored Pre-proline 0 C--O 1.233 0.209 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -177.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 1.002 ' HA ' HG12 ' A' ' 23' ' ' ILE . 75.5 Cg_endo -79.61 -12.39 13.78 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.665 2.243 . . . . 0.0 112.23 177.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.264 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.447 -0.589 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HB2' HD12 ' A' ' 33' ' ' LEU . 49.2 Cg_exo -62.85 -26.71 74.73 Favored 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 122.647 2.231 . . . . 0.0 113.293 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 87.8 m -71.94 119.82 76.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.958 0.409 . . . . 0.0 111.636 -178.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 33.3 Cg_exo -66.11 -35.08 34.92 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.052 2.501 . . . . 0.0 112.541 -176.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.69 7.55 81.6 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.742 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.409 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 4.9 t -101.4 -175.1 2.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.861 0.363 . . . . 0.0 110.585 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.86 -22.31 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.03 -6.73 32.68 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.013 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -106.23 148.1 28.32 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.205 -0.585 . . . . 0.0 110.796 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.8 -174.45 42.7 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.82 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.598 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 1.9 m-70 -160.15 155.03 24.42 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.779 0.832 . . . . 0.0 109.549 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.897 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -70.77 -31.07 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.96 0.409 . . . . 0.0 110.07 175.794 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.557 HG22 ' HB3' ' A' ' 22' ' ' HIS . 14.7 t -71.6 -24.63 61.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.267 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.19 38.36 91.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.005 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -130.33 -5.38 4.3 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.598 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 27.6 m-85 -121.96 -177.73 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -178.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.23 -46.49 4.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.745 0.307 . . . . 0.0 111.235 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.03 170.65 19.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.229 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -146.92 -169.84 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.521 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.21 8.7 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.071 0.462 . . . . 0.0 111.162 177.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.71 171.32 14.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.273 177.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -77.03 11.22 1.89 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -13.68 46.27 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.758 0.313 . . . . 0.0 110.631 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.474 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -139.5 14.42 3.19 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.102 -1.047 . . . . 0.0 113.444 -176.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.8 m -66.84 112.53 9.89 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.778 0.289 . . . . 0.0 110.958 178.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.897 ' HA ' HG12 ' A' ' 23' ' ' ILE . 68.3 Cg_endo -76.27 -9.46 19.0 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.685 2.257 . . . . 0.0 111.671 178.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.219 178.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 1.2 p . . . . . 0 N--CA 1.446 -0.649 0 N-CA-C 110.44 -0.208 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 52.8 Cg_exo -59.21 -38.96 82.81 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.014 2.476 . . . . 0.0 113.461 -177.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 7.6 m -69.13 116.09 38.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 0.0 111.989 -175.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 29.6 Cg_exo -66.95 -30.48 39.48 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.174 2.583 . . . . 0.0 112.436 -179.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.0 4.6 86.26 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.275 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.5 t -101.92 177.73 4.82 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.59 -16.96 4.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.386 -178.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.42 -3.65 50.62 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.354 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.94 148.25 28.86 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.362 -0.493 . . . . 0.0 110.817 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.3 -173.22 46.03 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.932 -178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.679 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 2.1 m-70 -155.97 166.8 32.39 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 122.962 0.505 . . . . 0.0 110.039 178.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.554 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -77.3 -28.77 16.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 172.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.561 HG23 ' H ' ' A' ' 26' ' ' ASN . 13.7 t -80.1 -27.35 39.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.605 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 34.19 85.39 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.172 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.561 ' H ' HG23 ' A' ' 24' ' ' THR . 12.5 m-20 -122.76 -3.5 8.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.723 0.297 . . . . 0.0 111.703 -176.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.618 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 36.9 m-85 -120.5 -168.61 1.67 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.207 -178.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.17 -48.5 3.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.543 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.49 175.24 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.446 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.503 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 49.8 p-80 -145.71 -174.56 4.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.643 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.41 10.42 0.43 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.912 0.387 . . . . 0.0 111.129 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.15 170.44 16.09 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.94 -3.12 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.945 0.402 . . . . 0.0 111.248 -177.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -13.68 59.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.421 0.629 . . . . 0.0 109.555 174.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.679 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -115.77 -18.26 6.12 Favored Glycine 0 N--CA 1.44 -1.055 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.948 -178.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.0 m -57.53 109.62 1.89 Allowed Pre-proline 0 C--O 1.234 0.243 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.554 ' HA ' HG12 ' A' ' 23' ' ' ILE . 74.3 Cg_endo -74.32 -7.05 19.25 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.377 2.051 . . . . 0.0 111.107 174.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.72 177.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.636 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 25.2 p . . . . . 0 C--O 1.238 0.467 0 CA-C-O 120.917 0.389 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.797 ' HG2' ' HG ' ' A' ' 33' ' ' LEU . 19.3 Cg_endo -59.29 -29.0 89.15 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 123.137 2.558 . . . . 0.0 112.651 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.541 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 21.9 m -62.89 115.19 15.51 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.431 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 38.9 Cg_exo -66.14 -46.78 4.06 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.888 2.392 . . . . 0.0 112.805 -176.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.29 3.5 77.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.002 -0.618 . . . . 0.0 113.345 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.541 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 0.5 OUTLIER -76.7 158.72 30.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.775 0.321 . . . . 0.0 111.348 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.36 -34.94 13.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.63 174.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.51 -17.74 56.24 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.896 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.72 77.42 1.13 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.651 0.725 . . . . 0.0 112.085 -175.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.6 -176.62 33.89 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.643 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.658 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.8 m-70 -144.38 148.15 34.32 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 175.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.524 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -67.92 -25.23 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.068 0.461 . . . . 0.0 109.998 176.317 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.658 HG22 ' HB3' ' A' ' 22' ' ' HIS . 5.8 t -70.54 -18.57 62.93 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.356 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.04 73.34 Favored Glycine 0 C--N 1.334 0.467 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.732 177.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.509 ' HB2' HG23 ' A' ' 24' ' ' THR . 19.8 m-20 -120.79 -1.18 10.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.844 0.354 . . . . 0.0 111.2 -176.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -125.82 170.1 11.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.505 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.84 -28.95 10.84 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.917 0.389 . . . . 0.0 110.642 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.9 179.31 9.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 22' ' ' HIS . 29.8 p-80 -161.84 164.79 28.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -146.75 19.24 1.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.697 0.284 . . . . 0.0 111.475 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.23 166.19 26.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.597 0.237 . . . . 0.0 110.612 178.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.797 ' HG ' ' HG2' ' A' ' 13' ' ' PRO . 2.7 mt -78.27 70.32 4.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.185 0.517 . . . . 0.0 110.826 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 m -132.92 -41.38 0.92 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.711 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.505 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -139.19 57.65 0.62 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.779 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.4 m -75.58 117.81 66.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.554 0.216 . . . . 0.0 111.034 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.524 ' HA ' HG12 ' A' ' 23' ' ' ILE . 71.5 Cg_endo -77.89 -23.91 8.95 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.724 2.283 . . . . 0.0 111.349 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.528 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.2 p . . . . . 0 C--O 1.237 0.426 0 CA-C-O 120.834 0.35 . . . . 0.0 111.74 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 34.2 Cg_exo -65.37 -37.98 28.34 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.289 2.66 . . . . 0.0 113.552 -176.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.471 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 4.4 m -64.16 119.11 52.92 Favored Pre-proline 0 N--CA 1.464 0.274 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -174.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 25.2 Cg_exo -69.51 -33.04 18.37 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.364 2.709 . . . . 0.0 112.522 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.54 4.53 85.58 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.201 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.9 t -100.43 173.4 6.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.5 -14.4 8.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.595 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.67 -4.62 61.69 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.364 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.14 156.53 18.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 117.038 0.419 . . . . 0.0 110.665 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.17 -168.71 54.75 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.364 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.61 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.5 m-70 -155.78 158.83 38.78 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 123.503 0.721 . . . . 0.0 109.801 176.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.745 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -67.83 -29.84 46.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.211 0.529 . . . . 0.0 109.587 174.151 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 26' ' ' ASN . 3.1 t -79.97 -11.63 59.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.954 177.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.94 18.98 58.3 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.228 -0.442 . . . . 0.0 113.583 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.609 ' HB2' HG23 ' A' ' 24' ' ' THR . 39.9 m-20 -108.26 2.02 22.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.511 -0.405 . . . . 0.0 111.694 -174.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.579 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 92.7 m-85 -132.16 154.73 49.24 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.933 -176.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.15 -39.12 50.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.58 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.66 171.56 20.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.794 0.331 . . . . 0.0 111.062 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.532 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 45.4 p-80 -143.62 -170.19 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.063 177.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mmm-85 -146.69 -10.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.662 0.268 . . . . 0.0 111.486 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 34' ' ' SER . 0.1 OUTLIER -133.05 173.89 10.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.817 -175.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.58 23.03 0.16 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.284 0.564 . . . . 0.0 111.27 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -86.51 -17.77 33.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.825 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.61 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -153.28 30.09 0.79 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.115 -1.041 . . . . 0.0 113.614 -176.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.6 m -66.0 113.69 13.33 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 120.591 0.234 . . . . 0.0 110.69 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.745 ' HA ' HG12 ' A' ' 23' ' ' ILE . 73.1 Cg_endo -76.74 -8.27 17.96 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.374 2.049 . . . . 0.0 111.146 177.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.747 177.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.846 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 21.7 p . . . . . 0 N--CA 1.448 -0.566 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.846 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 27.5 Cg_endo -62.89 -25.05 74.25 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.955 2.436 . . . . 0.0 112.728 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 93.8 m -78.06 111.63 19.68 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.096 -176.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 31.1 Cg_exo -67.13 -29.54 39.57 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.122 2.548 . . . . 0.0 112.698 -179.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.78 2.18 85.75 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.984 -177.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.588 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -78.23 162.09 26.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.979 0.419 . . . . 0.0 111.945 -179.002 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.42 -31.95 13.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.736 172.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.88 -16.33 59.65 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 121.112 -0.566 . . . . 0.0 113.654 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.87 77.78 1.12 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 117.429 0.614 . . . . 0.0 111.374 -176.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.99 -172.72 35.18 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.316 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.65 ' CD2' ' HB3' ' A' ' 30' ' ' HIS . 1.8 m-70 -146.29 174.91 10.92 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.671 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -83.29 -35.49 11.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 172.567 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.768 HG23 ' H ' ' A' ' 26' ' ' ASN . 7.2 t -59.85 -35.8 75.52 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.061 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.59 13.38 70.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.883 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.768 ' H ' HG23 ' A' ' 24' ' ' THR . 28.3 m-80 -108.51 0.36 20.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.913 -0.169 . . . . 0.0 111.443 -176.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -126.45 166.92 16.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.754 0.311 . . . . 0.0 111.419 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.28 -22.41 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.13 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 p -157.84 176.55 12.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.271 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.65 ' HB3' ' CD2' ' A' ' 22' ' ' HIS . 31.1 p-80 -161.07 170.57 20.2 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.84 15.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 111.378 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.07 168.95 22.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.338 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.597 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -77.87 14.82 0.99 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.875 0.369 . . . . 0.0 111.55 -178.499 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -18.44 51.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.044 0.449 . . . . 0.0 110.886 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.554 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -152.93 36.85 0.77 Allowed Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.201 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 9.2 m -69.82 114.76 27.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 123.588 0.228 . . . . 0.0 111.104 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.671 ' HA ' HG12 ' A' ' 23' ' ' ILE . 56.7 Cg_endo -74.94 -16.29 20.45 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.595 2.197 . . . . 0.0 111.796 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.588 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.093 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.533 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.592 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 11.8 Cg_endo -55.79 -35.73 94.1 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.233 2.622 . . . . 0.0 113.438 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 4.0 m -69.66 111.76 9.97 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.692 0.282 . . . . 0.0 111.665 -179.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 26.5 Cg_exo -68.06 -25.45 37.88 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.875 2.384 . . . . 0.0 112.211 -178.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.97 -11.08 79.69 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.235 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.41 ' HA ' ' CB ' ' A' ' 38' ' ' ARG . 48.1 t -92.6 158.59 15.89 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.29 -16.33 16.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 0.0 110.779 -177.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.482 ' HA2' ' SG ' ' A' ' 12' ' ' CYS . . . 97.4 -3.4 61.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.224 175.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.22 162.86 13.68 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.497 -0.413 . . . . 0.0 110.716 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.42 -165.35 47.0 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.711 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.538 ' C ' ' HB3' ' A' ' 37' ' ' PRO . 1.8 m-70 -154.7 156.34 36.22 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.724 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -65.88 -23.23 31.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 173.625 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -61.98 2.22 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 113.723 -1.581 . . . . 0.0 111.9 173.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.99 26.21 8.55 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.644 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -123.36 -0.39 8.78 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -175.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -126.27 175.17 8.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.844 0.354 . . . . 0.0 111.218 -174.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.06 -37.67 9.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.607 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.46 172.23 15.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.584 0.231 . . . . 0.0 111.372 -178.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -140.3 -157.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.827 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -155.71 -18.96 0.11 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.741 0.305 . . . . 0.0 111.482 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.41 ' C ' ' H ' ' A' ' 34' ' ' SER . 0.7 OUTLIER -128.01 -177.43 4.13 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 -178.515 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.404 ' HG ' ' HG2' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -77.69 23.87 0.23 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.113 0.482 . . . . 0.0 111.403 -179.734 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -79.22 -28.21 42.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.545 178.725 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.519 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -151.93 40.19 0.76 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.252 -0.975 . . . . 0.0 113.171 -177.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.8 m -70.76 108.32 3.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 123.666 0.274 . . . . 0.0 110.384 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.724 ' HA ' HG12 ' A' ' 23' ' ' ILE . 77.6 Cg_endo -81.65 -2.63 11.55 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.387 2.058 . . . . 0.0 111.253 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.41 ' CB ' ' HA ' ' A' ' 17' ' ' CYS . 2.5 mtt180 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.056 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.8 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 3.5 p . . . . . 0 N--CA 1.447 -0.618 0 CA-C-O 120.346 0.117 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.8 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 71.9 Cg_endo -75.42 -26.36 10.34 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.586 2.191 . . . . 0.0 112.738 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.636 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.6 m -62.05 116.49 22.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 34.8 Cg_exo -64.93 -38.85 27.3 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.993 2.462 . . . . 0.0 113.034 -176.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.68 -13.0 80.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.668 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.636 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 47.5 t -94.62 151.9 18.94 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.14 -16.44 17.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.025 -175.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.34 0.38 59.65 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.668 175.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -106.23 152.98 22.8 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 117.233 0.516 . . . . 0.0 110.516 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.95 -173.69 49.98 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.432 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.693 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.7 m-70 -150.27 157.86 43.53 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 122.944 0.497 . . . . 0.0 109.824 177.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.934 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -70.27 -31.31 46.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.019 0.438 . . . . 0.0 109.831 174.443 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.693 HG22 ' HB3' ' A' ' 22' ' ' HIS . 10.6 t -68.02 -25.31 65.33 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.054 177.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.89 49.08 44.28 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.514 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -144.79 5.86 1.19 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -174.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.503 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 97.7 m-85 -138.36 162.48 34.3 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.584 0.231 . . . . 0.0 110.965 -176.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.3 -38.96 18.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.762 0.315 . . . . 0.0 111.34 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.17 175.05 13.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.928 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.584 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 45.9 p-80 -145.24 -169.29 3.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.488 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.14 7.64 0.33 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -176.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.15 170.9 16.81 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.242 -0.183 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.415 ' HG ' ' OG1' ' A' ' 14' ' ' THR . 0.6 OUTLIER -77.56 41.56 0.33 Allowed 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.468 0.48 . . . . 0.0 111.761 -178.146 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.71 -45.26 4.06 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.855 0.36 . . . . 0.0 110.449 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.531 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -114.46 29.29 7.67 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.969 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.3 m -68.8 110.94 6.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.716 0.293 . . . . 0.0 111.514 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.934 ' HA ' HG12 ' A' ' 23' ' ' ILE . 72.3 Cg_endo -76.03 -21.6 13.84 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.144 1.896 . . . . 0.0 111.009 175.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.874 176.313 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.448 -0.533 0 CA-C-O 121.066 0.46 . . . . 0.0 112.032 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 27.5 Cg_exo -64.64 -31.47 59.46 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 123.329 2.686 . . . . 0.0 112.944 -179.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.621 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.8 m -64.97 118.2 46.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -174.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 27.7 Cg_exo -65.27 -37.05 33.16 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.364 2.709 . . . . 0.0 112.839 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.56 -22.77 63.87 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.554 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.621 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 53.8 t -89.52 168.05 12.48 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.48 -17.48 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.8 0.334 . . . . 0.0 111.22 -177.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.24 -2.33 43.65 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.28 -0.962 . . . . 0.0 113.278 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 m -100.61 134.6 43.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 117.153 0.477 . . . . 0.0 110.619 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.49 -171.94 38.76 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.242 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.738 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.9 m-70 -155.52 152.6 29.08 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.837 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -69.7 -29.27 40.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.221 0.534 . . . . 0.0 109.743 175.157 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.738 HG22 ' HB3' ' A' ' 22' ' ' HIS . 15.3 t -69.06 -22.16 64.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.194 178.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.2 41.98 98.12 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.071 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -136.23 8.84 3.2 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -137.41 -170.05 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.736 0.303 . . . . 0.0 111.24 -175.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.89 -42.01 3.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.505 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.03 179.44 7.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.499 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 44.5 p-80 -153.31 -168.29 2.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.608 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -156.7 11.86 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.263 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.586 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -144.53 169.96 16.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.601 178.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -77.0 30.62 0.13 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.017 0.437 . . . . 0.0 111.845 -178.513 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.36 -17.85 16.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.862 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -143.27 25.66 2.18 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.039 -1.077 . . . . 0.0 113.22 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.0 m -66.63 117.95 49.54 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.743 0.306 . . . . 0.0 111.335 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.837 ' HA ' HG12 ' A' ' 23' ' ' ILE . 56.3 Cg_endo -72.24 -12.1 27.41 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.617 2.212 . . . . 0.0 110.977 175.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 17' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.43 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.932 176.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.802 -0.519 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.01 -39.61 13.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.238 0.542 . . . . 0.0 110.245 178.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.36 99.48 6.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.108 178.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -94.14 -144.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.649 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.686 ' HB2' ' HA ' ' A' ' 13' ' ' PRO . . . -126.3 -174.54 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.689 0.281 . . . . 0.0 110.776 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -65.23 -27.78 68.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.113 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.26 33.62 0.55 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.938 177.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.425 ' HB3' ' HG ' ' A' ' 10' ' ' LEU . . . 58.64 -159.51 0.28 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.829 179.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -92.78 37.56 1.02 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.486 0.66 . . . . 0.0 109.577 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HG ' ' HB3' ' A' ' 8' ' ' ALA . 13.9 mt -92.36 -28.51 16.87 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 175.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.614 ' HD3' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -142.36 -176.92 5.02 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 114.53 -1.214 . . . . 0.0 108.777 171.475 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.614 ' O ' ' HD3' ' A' ' 11' ' ' LYS . 3.5 p -93.46 167.93 13.02 Favored Pre-proline 0 C--N 1.31 -1.141 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.004 -172.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.686 ' HA ' ' HB2' ' A' ' 5' ' ' ALA . 51.3 Cg_exo -57.64 -44.31 42.67 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.096 2.531 . . . . 0.0 113.43 -178.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.631 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.4 m -60.39 117.92 28.96 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 0.0 111.934 -176.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 25.1 Cg_exo -68.95 -32.77 21.33 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.189 2.593 . . . . 0.0 112.351 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.86 -23.28 64.47 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.721 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.631 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 48.6 t -88.91 161.97 16.37 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 174.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.62 -37.29 5.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.304 -176.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 125.6 -14.54 7.21 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.31 -0.948 . . . . 0.0 112.754 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -92.32 139.15 30.89 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 122.387 -0.478 . . . . 0.0 110.29 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.81 -169.97 30.28 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.33 -178.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.596 ' C ' ' HB3' ' A' ' 37' ' ' PRO . 2.6 m-70 -159.03 153.23 23.74 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.862 0.865 . . . . 0.0 108.97 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.814 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -63.71 -26.55 40.93 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.166 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 173.821 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -61.64 2.11 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 113.611 -1.631 . . . . 0.0 111.82 174.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.68 44.87 4.43 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -173.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -141.38 5.1 1.83 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.501 -0.35 . . . . 0.0 111.109 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.546 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 25.2 m-85 -137.71 -177.94 5.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.299 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -98.5 -40.24 8.35 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.36 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -160.17 174.74 13.8 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.94 0.4 . . . . 0.0 111.63 -178.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.477 ' C ' ' HG2' ' A' ' 31' ' ' ARG . 46.2 p-80 -148.3 176.89 9.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.044 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.477 ' HG2' ' C ' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -143.53 22.39 1.83 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.984 0.421 . . . . 0.0 110.775 179.225 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.442 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 12.3 m -149.99 173.47 13.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.576 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.55 -2.83 34.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.966 0.413 . . . . 0.0 111.31 -178.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -21.12 46.03 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.042 0.448 . . . . 0.0 110.148 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.544 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -113.27 -8.2 19.86 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.671 -0.776 . . . . 0.0 113.109 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.668 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . 57.3 m -58.3 112.13 4.49 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-O 120.949 0.404 . . . . 0.0 111.816 -178.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.814 ' HA ' HG12 ' A' ' 23' ' ' ILE . 87.3 Cg_endo -76.12 -10.89 19.53 Favored 'Trans proline' 0 N--CA 1.456 -0.694 0 C-N-CA 122.307 2.005 . . . . 0.0 110.882 174.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.23 21.17 13.85 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.238 175.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.668 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . . . -55.75 101.4 0.05 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.898 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.823 ' HA ' ' HB3' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 48.88 36.19 7.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.208 -0.905 . . . . 0.0 110.763 -175.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.04 72.07 5.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.437 -177.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.4 m 68.94 -65.24 0.29 Allowed 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.788 0.68 . . . . 0.0 111.264 -177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.56 68.31 3.57 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.066 -0.588 . . . . 0.0 111.848 175.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.823 ' HB3' ' HA ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -80.48 -33.99 36.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.716 0.293 . . . . 0.0 111.276 -176.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -143.8 110.56 5.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.853 0.359 . . . . 0.0 110.683 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.545 -0.741 . . . . 0.0 109.867 179.176 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.75 0 N-CA-C 112.422 -0.271 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.609 ' HB3' ' HB3' ' A' ' 9' ' ' ASP . 0.9 OUTLIER -59.85 134.21 56.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.824 0.345 . . . . 0.0 110.81 179.603 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 ttt -81.95 -49.17 10.59 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.164 -178.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.04 164.63 14.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.528 177.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.56 60.08 5.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.965 0.412 . . . . 0.0 112.003 -176.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.413 ' CD2' ' HB2' ' A' ' 9' ' ' ASP . 6.6 p80 -154.42 137.21 15.31 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.661 172.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.19 -30.68 64.72 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 -170.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.91 3.13 15.3 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.609 ' HB3' ' HB3' ' A' ' 2' ' ' SER . 1.3 t70 -84.96 46.89 1.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.38 0.609 . . . . 0.0 110.883 178.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.81 6.84 33.32 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.826 0.822 . . . . 0.0 109.363 175.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -143.63 -156.34 0.68 Allowed 'General case' 0 N--CA 1.441 -0.878 0 CA-C-N 114.356 -1.293 . . . . 0.0 108.348 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.6 p -82.41 166.74 34.73 Favored Pre-proline 0 C--N 1.313 -0.98 0 CA-C-O 120.993 0.425 . . . . 0.0 110.75 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.467 ' HB2' ' HG ' ' A' ' 33' ' ' LEU . 51.3 Cg_exo -61.62 -14.43 35.64 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 123.466 2.777 . . . . 0.0 112.842 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.595 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.8 m -82.18 122.41 79.43 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.225 -175.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 21.8 Cg_exo -74.3 -35.99 3.51 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 123.191 2.594 . . . . 0.0 112.804 -177.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -78.97 -15.54 80.45 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.154 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.595 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 47.9 t -102.28 153.75 19.69 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.39 -9.81 23.03 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 122.125 -0.359 . . . . 0.0 111.502 -172.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.95 -14.86 59.89 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.761 -0.733 . . . . 0.0 113.095 177.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.97 143.9 27.39 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.404 -0.468 . . . . 0.0 110.572 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.89 -173.8 35.23 Favored Glycine 0 C--O 1.222 -0.643 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.036 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.66 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.9 m-70 -156.67 150.31 24.61 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 176.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.482 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -68.54 -22.27 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.223 0.535 . . . . 0.0 109.858 175.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.674 HG23 ' H ' ' A' ' 26' ' ' ASN . 6.0 t -82.23 -21.69 36.22 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.305 177.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.23 20.19 74.81 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.202 177.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.674 ' H ' HG23 ' A' ' 24' ' ' THR . 38.5 m-80 -110.07 1.82 19.14 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -175.123 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.599 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 92.6 m-85 -132.63 -172.99 3.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 111.384 -175.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -106.64 -43.04 4.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.028 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.82 174.38 15.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.676 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.59 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 42.7 p-80 -148.23 172.33 14.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.928 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.3 mmt85 -134.45 9.66 3.71 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.989 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.88 169.82 15.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.59 0.233 . . . . 0.0 111.094 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.485 HD23 ' OG1' ' A' ' 14' ' ' THR . 2.0 mt -77.68 0.63 22.66 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 -177.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.25 -53.41 6.38 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -175.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.66 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -89.96 32.01 5.06 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.699 -174.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 59.2 m -78.46 116.04 56.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 116.793 0.296 . . . . 0.0 111.665 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.482 ' HA ' HG12 ' A' ' 23' ' ' ILE . 56.1 Cg_endo -70.81 -20.24 30.14 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.231 1.954 . . . . 0.0 110.793 173.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.481 ' HD2' ' HA ' ' A' ' 17' ' ' CYS . 0.1 OUTLIER -99.87 42.74 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.919 172.338 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -44.0 117.2 1.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.724 -1.126 . . . . 0.0 112.241 -173.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.539 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -48.72 138.86 10.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.382 -1.281 . . . . 0.0 111.596 -179.357 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.6 mttm -138.11 -64.24 0.54 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.376 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.63 -21.27 60.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.981 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.89 133.01 2.67 Favored Glycine 0 N--CA 1.448 -0.539 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.539 ' HA ' ' HB2' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -74.85 -61.27 1.94 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.699 -177.72 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -154.47 79.15 1.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.143 0.497 . . . . 0.0 110.678 177.129 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.26 0 CA-C-O 118.528 -0.749 . . . . 0.0 110.175 177.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.581 0 N-CA-C 111.762 -0.535 . . . . 0.0 111.762 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.97 155.1 23.19 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 178.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.9 ptm -66.53 141.59 57.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.979 0.418 . . . . 0.0 110.284 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.88 -38.65 8.54 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.431 -178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.73 146.23 24.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.513 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -123.6 89.32 3.07 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.923 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.58 73.26 4.37 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.603 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -111.05 11.34 22.05 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.674 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -114.65 34.56 4.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.515 0.674 . . . . 0.0 110.374 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 mt -100.27 -61.46 1.36 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.889 173.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.2 126.65 51.48 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 170.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.4 p -57.47 160.52 7.16 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.525 -171.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -53.55 -30.25 53.68 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.551 2.834 . . . . 0.0 114.004 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.741 HG21 ' HA ' ' A' ' 39' ' ' ALA . 3.6 m -81.94 112.37 34.57 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.864 0.364 . . . . 0.0 111.7 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 34.4 Cg_exo -67.08 -29.8 39.49 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.064 2.509 . . . . 0.0 112.379 -177.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.98 -2.75 88.26 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.269 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.553 ' SG ' ' HD2' ' A' ' 37' ' ' PRO . 44.4 t -89.39 158.44 17.76 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.98 -21.81 14.42 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.43 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.54 -31.35 6.87 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.83 -0.7 . . . . 0.0 113.437 174.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.569 ' HA ' ' HB3' ' A' ' 29' ' ' SER . 0.0 OUTLIER -97.22 71.96 2.42 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 122.3 -0.53 . . . . 0.0 111.602 -176.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 171.69 -174.04 45.09 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.299 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.677 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 2.4 m-70 -152.41 144.08 23.53 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.535 ' N ' ' HB3' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -76.28 -16.36 15.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 122.209 1.004 . . . . 0.0 108.794 175.375 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.545 ' OG1' ' HB3' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -67.75 -70.1 0.28 Allowed 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 113.672 -1.604 . . . . 0.0 111.612 177.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.79 13.7 10.07 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 114.418 -1.265 . . . . 0.0 111.243 -176.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.407 ' HB2' ' CD1' ' A' ' 27' ' ' TYR . 4.9 m120 -108.91 -16.84 14.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.51 -0.345 . . . . 0.0 110.917 -175.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.677 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 80.4 m-85 -132.7 149.29 52.31 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.658 -174.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.28 -34.16 42.75 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.85 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.569 ' HB3' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -155.6 173.09 17.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.522 0.201 . . . . 0.0 111.021 -177.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -142.11 -161.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ttp-105 -148.62 -27.68 0.31 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.292 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -128.56 -175.61 3.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.107 -179.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.51 HD23 ' HB2' ' A' ' 36' ' ' CYS . 1.6 mt -77.68 46.26 0.54 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.044 0.449 . . . . 0.0 112.021 -176.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.16 -8.99 15.63 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.025 0.44 . . . . 0.0 110.431 177.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.603 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -159.17 25.26 0.34 Allowed Glycine 0 N--CA 1.441 -0.98 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.47 -179.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.51 ' HB2' HD23 ' A' ' 33' ' ' LEU . 7.6 m -62.65 109.79 2.75 Favored Pre-proline 0 C--O 1.233 0.203 0 O-C-N 123.736 0.315 . . . . 0.0 110.328 176.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.553 ' HD2' ' SG ' ' A' ' 17' ' ' CYS . 88.6 Cg_endo -81.81 -12.3 11.03 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.168 1.912 . . . . 0.0 112.088 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -113.73 31.33 6.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.626 175.587 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.741 ' HA ' HG21 ' A' ' 14' ' ' THR . . . -69.75 88.75 0.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.739 -176.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.698 ' HE3' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER 47.18 54.68 9.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.299 178.183 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' HE2' ' O ' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -81.62 -65.4 1.02 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.846 -179.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.62 ' HB2' HG11 ' A' ' 46' ' ' VAL . 0.7 OUTLIER -106.83 41.05 1.52 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.298 174.235 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.45 -170.9 27.4 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 114.739 -1.119 . . . . 0.0 110.606 -172.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -112.17 15.91 20.32 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.312 0.556 . . . . 0.0 110.551 178.226 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.88 66.52 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.264 178.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.62 HG11 ' HB2' ' A' ' 42' ' ' SER . 14.5 p . . . . . 0 C--O 1.25 1.119 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m 52.65 74.28 0.29 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.039 0.447 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.39 110.75 0.67 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.112 -177.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.72 62.69 2.43 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.711 -177.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.47 -32.63 71.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.984 -174.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.73 102.12 13.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.724 0.297 . . . . 0.0 110.596 179.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.09 -49.33 58.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.335 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 68.08 113.01 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.958 0.786 . . . . 0.0 111.571 177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -79.47 82.55 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.498 0.666 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.28 18.37 19.0 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 175.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 20.2 mmtm 68.98 141.1 0.04 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-N 114.42 -1.264 . . . . 0.0 112.187 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.618 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -105.33 -173.0 0.26 Allowed Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 114.215 -1.357 . . . . 0.0 110.373 -170.638 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.618 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 47.5 Cg_exo -58.55 -26.21 77.7 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.465 2.11 . . . . 0.0 112.759 179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.52 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 2.0 m -92.86 111.26 50.48 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.747 -177.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HD2' ' HD2' ' A' ' 40' ' ' LYS . 27.0 Cg_exo -67.82 -30.54 33.47 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.842 2.361 . . . . 0.0 112.415 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.73 0.58 89.36 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.414 -179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.754 ' SG ' ' HD2' ' A' ' 37' ' ' PRO . 48.6 t -84.24 168.48 15.67 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 178.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -107.53 -10.2 15.75 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.498 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.41 -45.87 2.93 Favored Glycine 0 CA--C 1.519 0.311 0 C-N-CA 120.979 -0.629 . . . . 0.0 113.344 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.96 64.39 3.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.389 0.614 . . . . 0.0 111.262 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -169.08 -169.97 33.11 Favored Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.55 176.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.549 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 2.1 m-70 -160.28 146.75 15.65 Favored 'General case' 0 C--N 1.321 -0.66 0 C-N-CA 123.296 0.638 . . . . 0.0 109.748 176.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.847 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -69.27 -31.15 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 175.159 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.818 HG23 ' H ' ' A' ' 26' ' ' ASN . 12.6 t -74.6 -21.84 59.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.554 176.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.45 6.8 43.24 Favored Glycine 0 C--N 1.333 0.408 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.983 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.818 ' H ' HG23 ' A' ' 24' ' ' THR . 27.3 m-80 -92.67 1.3 57.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.814 0.34 . . . . 0.0 111.519 -174.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.549 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 78.9 m-85 -129.09 -164.72 1.42 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.757 -176.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -120.4 -37.76 2.99 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.172 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.08 178.44 10.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.407 -178.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.407 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 36.0 p-80 -155.53 -159.79 0.96 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -154.68 -16.51 0.12 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.873 0.368 . . . . 0.0 111.129 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.41 174.05 8.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.436 -178.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.89 7.08 5.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.894 0.378 . . . . 0.0 111.676 -177.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.5 -14.39 58.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.48 177.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -135.58 11.09 4.32 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.595 -0.812 . . . . 0.0 113.187 -178.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.3 m -67.19 116.8 39.99 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.808 0.304 . . . . 0.0 110.844 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.847 ' HA ' HG12 ' A' ' 23' ' ' ILE . 92.4 Cg_endo -78.84 -5.43 14.64 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.82 2.346 . . . . 0.0 111.794 177.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.524 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 1.0 OUTLIER -134.73 45.27 2.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.532 -177.752 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -59.04 147.52 34.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.008 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HD3' HG23 ' A' ' 14' ' ' THR . 0.2 OUTLIER -75.49 43.78 0.25 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.14 0.495 . . . . 0.0 111.023 179.626 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -139.87 86.52 2.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.721 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.0 m 70.84 -62.2 0.45 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.771 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.84 43.94 3.25 Favored Glycine 0 N--CA 1.453 -0.204 0 C-N-CA 121.27 -0.49 . . . . 0.0 113.009 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -75.09 -31.69 61.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.18 0.514 . . . . 0.0 110.14 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.95 87.96 2.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.64 176.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.798 -0.62 . . . . 0.0 110.073 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.885 -0.486 . . . . 0.0 111.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.94 -29.2 64.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.917 0.389 . . . . 0.0 110.739 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -99.36 74.37 1.92 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.249 0.547 . . . . 0.0 110.0 176.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.448 ' HB1' ' OD1' ' A' ' 9' ' ' ASP . . . -153.01 -142.13 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.876 -177.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.617 ' HB3' ' HA ' ' A' ' 9' ' ' ASP . . . -77.7 79.37 4.19 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 173.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.485 ' HB3' ' H ' ' A' ' 7' ' ' SER . 11.4 t-80 59.56 -105.29 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.081 -170.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.485 ' H ' ' HB3' ' A' ' 6' ' ' HIS . 0.7 OUTLIER -132.58 19.74 4.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.057 0.456 . . . . 0.0 110.353 178.604 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.53 -58.51 2.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.439 -176.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.617 ' HA ' ' HB3' ' A' ' 5' ' ' ALA . 7.2 t70 51.93 60.34 3.91 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.748 -179.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.71 -17.01 49.34 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.311 177.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 7.0 mmtp 66.1 109.03 0.04 OUTLIER 'General case' 0 C--O 1.231 0.097 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.556 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.586 ' HB2' ' CD ' ' A' ' 13' ' ' PRO . 1.1 p -84.83 -175.76 0.68 Allowed Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.94 -179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.586 ' CD ' ' HB2' ' A' ' 12' ' ' CYS . 25.8 Cg_exo -68.49 -29.62 30.54 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 121.942 1.762 . . . . 0.0 113.279 -175.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.539 HG21 ' O ' ' A' ' 38' ' ' ARG . 17.0 m -79.87 121.46 82.25 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-O 121.008 0.432 . . . . 0.0 112.128 -174.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.449 ' HG2' ' HB3' ' A' ' 44' ' ' LEU . 32.8 Cg_exo -65.87 -41.16 14.67 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.344 2.696 . . . . 0.0 112.643 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.79 -5.12 89.55 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.508 -178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.477 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 12.4 t -87.45 -165.84 1.41 Allowed 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 177.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -144.17 -36.62 0.33 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.951 -177.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 123.75 -9.79 8.56 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.762 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 1.0 OUTLIER -107.71 150.8 26.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.069 0.461 . . . . 0.0 111.033 179.382 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.2 -178.79 46.49 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.075 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.652 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 2.0 m-70 -153.83 150.87 28.88 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 176.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.496 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -70.04 -29.58 40.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 172.047 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.603 HG23 ' HB2' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -73.7 -13.81 61.04 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.674 174.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.11 10.66 34.94 Favored Glycine 0 C--N 1.336 0.552 0 N-CA-C 114.534 0.574 . . . . 0.0 114.534 172.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.603 ' HB2' HG23 ' A' ' 24' ' ' THR . 3.5 m-80 -107.64 13.75 26.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 122.395 -0.473 . . . . 0.0 111.955 -174.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.652 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 78.6 m-85 -141.43 175.47 9.64 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.42 -23.22 13.2 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.273 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.48 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -157.36 165.96 34.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.752 -0.204 . . . . 0.0 110.635 -179.475 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.534 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 25.6 p-80 -136.23 -157.38 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.053 179.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.41 ' H ' ' HB2' ' A' ' 30' ' ' HIS . 3.8 mtm-85 -147.08 -29.9 0.35 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.059 -178.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.422 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.7 OUTLIER -134.37 -169.28 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.744 0.307 . . . . 0.0 111.341 -175.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.59 -5.34 47.31 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 -176.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -8.4 59.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.983 176.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.561 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -125.74 -14.32 3.17 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.966 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.3 m -57.39 113.45 6.27 Favored Pre-proline 0 C--O 1.232 0.164 0 CA-C-N 116.768 0.284 . . . . 0.0 111.088 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.496 ' HA ' HG12 ' A' ' 23' ' ' ILE . 58.4 Cg_endo -73.97 -20.94 18.92 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 122.148 1.899 . . . . 0.0 110.894 176.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.539 ' O ' HG21 ' A' ' 14' ' ' THR . 0.1 OUTLIER -105.93 34.7 3.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.454 174.163 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.38 129.21 3.07 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.125 -0.943 . . . . 0.0 113.004 -173.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.516 ' HB2' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -72.91 103.2 3.66 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.629 177.266 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.99 -49.38 0.17 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.578 -178.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.53 32.08 4.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.384 174.524 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 40' ' ' LYS . . . 138.93 159.81 8.15 Favored Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.682 -174.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.449 ' HB3' ' HG2' ' A' ' 15' ' ' PRO . 5.3 mt -83.1 1.67 39.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.101 0.451 . . . . 0.0 110.797 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.74 161.3 42.5 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.016 178.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.4 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.254 -0.879 . . . . 0.0 109.532 177.743 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.516 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -120.26 103.21 9.05 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.868 0.366 . . . . 0.0 110.046 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.94 155.18 25.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.555 -177.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.56 -133.65 1.68 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.857 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.422 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . . . -132.3 150.24 52.2 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -50.96 27.35 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.45 58.59 1.49 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.839 175.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 5' ' ' ALA . . . -79.46 51.88 1.3 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.321 0.582 . . . . 0.0 111.384 -176.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.613 ' HA ' ' HB3' ' A' ' 31' ' ' ARG . 2.9 t70 -90.37 55.2 2.97 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.192 177.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 mt -88.78 -40.82 12.91 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.553 ' HD3' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -174.07 168.78 4.09 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.481 172.222 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.906 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 17.9 p -93.28 -178.33 0.83 Allowed Pre-proline 0 C--N 1.313 -1.016 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.333 -173.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.906 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 60.4 Cg_endo -71.23 -20.9 27.62 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.399 2.066 . . . . 0.0 112.476 177.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.572 ' HB ' ' SG ' ' A' ' 12' ' ' CYS . 28.6 m -72.5 118.67 69.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.114 0.483 . . . . 0.0 111.863 -177.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.532 ' HD2' ' HE2' ' A' ' 40' ' ' LYS . 27.8 Cg_exo -68.16 -29.04 33.57 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.27 2.647 . . . . 0.0 112.595 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.24 -8.79 83.12 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.607 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -81.88 172.65 13.06 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.906 0.384 . . . . 0.0 110.812 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -114.57 -9.81 12.6 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.621 170.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.33 -23.11 32.68 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.551 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.9 OUTLIER -102.47 150.72 23.09 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 122.456 -0.438 . . . . 0.0 111.391 -177.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.07 167.07 38.67 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.655 -0.702 . . . . 0.0 113.16 176.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.588 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.6 m-70 -144.36 160.2 41.43 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.395 0.678 . . . . 0.0 110.083 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.646 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.5 OUTLIER -68.16 -36.5 75.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 172.666 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.588 HG22 ' HB3' ' A' ' 22' ' ' HIS . 13.1 t -68.74 -18.42 64.22 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.524 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.97 32.21 79.22 Favored Glycine 0 C--N 1.331 0.282 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.65 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.557 ' HB2' HG23 ' A' ' 24' ' ' THR . 28.2 m-20 -125.95 10.17 7.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.876 0.37 . . . . 0.0 111.011 -173.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -134.51 171.23 14.6 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.777 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.57 -36.05 10.42 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.983 0.421 . . . . 0.0 110.726 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.454 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -159.73 178.35 9.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.816 -178.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.519 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 55.3 p-80 -156.99 165.73 35.35 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.28 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.613 ' HB3' ' HA ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -137.99 16.32 2.84 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.93 0.395 . . . . 0.0 110.676 176.116 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.81 160.11 40.85 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.347 178.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.436 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 0.5 OUTLIER -78.27 33.19 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -177.039 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -94.77 -22.88 17.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.055 0.455 . . . . 0.0 110.38 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.512 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -140.53 28.14 2.45 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.534 -0.841 . . . . 0.0 113.034 -176.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.436 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 34.5 m -62.48 116.29 22.09 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.646 ' HA ' HG12 ' A' ' 23' ' ' ILE . 72.8 Cg_endo -78.64 -8.4 15.89 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.452 2.101 . . . . 0.0 111.321 176.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.91 41.06 3.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.818 176.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.494 ' O ' ' HD2' ' A' ' 41' ' ' LYS . . . -58.13 144.31 40.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.211 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.532 ' HE2' ' HD2' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -53.83 98.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.79 -175.545 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.494 ' HD2' ' O ' ' A' ' 39' ' ' ALA . 1.6 mptt -90.44 -169.55 2.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.297 176.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.02 -40.17 96.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.053 0.454 . . . . 0.0 109.853 176.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -115.21 78.71 0.27 Allowed Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.546 174.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.528 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -58.3 -35.98 72.65 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.999 0.428 . . . . 0.0 110.72 -178.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.504 ' HG3' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -114.68 154.48 28.36 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 171.801 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.346 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 112.056 -0.417 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -90.66 96.21 10.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.68 0.276 . . . . 0.0 111.072 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.8 ttm 69.01 -88.68 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.807 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.53 -86.79 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.621 0.576 . . . . 0.0 110.697 -175.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -117.09 78.16 1.19 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.27 106.63 3.62 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.546 -177.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.33 86.58 7.03 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.559 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.68 -151.73 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.631 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -104.54 68.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.481 0.658 . . . . 0.0 110.384 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.95 -30.92 12.44 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 176.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -99.46 -154.2 0.46 Allowed 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.886 175.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HB2' ' CD ' ' A' ' 13' ' ' PRO . 9.1 p -80.47 171.99 10.94 Favored Pre-proline 0 C--N 1.315 -0.917 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.682 -176.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 12.2 Cg_exo -75.65 -31.01 5.73 Favored 'Trans proline' 0 CA--C 1.532 0.414 0 C-N-CA 123.18 2.587 . . . . 0.0 112.79 -178.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.457 HG23 ' HG2' ' A' ' 40' ' ' LYS . 2.5 m -58.36 120.72 46.67 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -176.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 24.4 Cg_exo -69.0 -37.17 11.41 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.18 2.587 . . . . 0.0 112.791 -177.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.95 -1.48 88.81 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.78 -177.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.481 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 37.9 t -98.14 158.68 15.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.661 0.267 . . . . 0.0 110.297 179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.64 -14.91 16.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.802 -179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.18 -2.81 61.55 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.85 -0.691 . . . . 0.0 113.417 176.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -113.39 156.89 22.63 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 122.207 -0.584 . . . . 0.0 111.345 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.16 179.73 44.17 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.501 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.607 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 1.9 m-70 -144.01 158.32 43.78 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 176.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.857 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -68.48 -31.54 51.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 172.705 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.545 HG23 ' H ' ' A' ' 26' ' ' ASN . 0.5 OUTLIER -74.94 -20.72 59.57 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 114.955 -1.02 . . . . 0.0 111.018 176.441 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.08 -16.9 13.65 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 121.311 -0.471 . . . . 0.0 114.166 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.545 ' H ' HG23 ' A' ' 24' ' ' THR . 15.6 m-20 -79.02 -1.26 34.73 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -172.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.607 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 72.2 m-85 -124.77 152.9 43.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.725 0.298 . . . . 0.0 110.454 -178.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -88.53 -29.62 19.94 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.777 -176.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -163.03 173.68 13.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.698 -0.228 . . . . 0.0 110.741 -178.69 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -153.1 -171.9 4.07 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.95 12.81 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -178.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.471 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -147.83 164.58 33.22 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 121.334 -0.146 . . . . 0.0 110.815 179.84 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.434 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -76.92 72.42 3.49 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 121.453 0.644 . . . . 0.0 110.915 -178.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -135.19 -55.03 0.8 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.146 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -115.97 39.95 2.57 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.613 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.8 m -68.55 117.63 52.18 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 175.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.857 ' HA ' HG12 ' A' ' 23' ' ' ILE . 95.1 Cg_endo -76.19 -13.2 19.09 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.977 1.785 . . . . 0.0 110.12 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.481 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.4 OUTLIER -113.67 30.92 6.87 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.667 175.22 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.78 128.85 31.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.999 -178.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.601 ' HB3' ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -53.32 115.26 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.957 -176.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.18 -71.78 0.72 Allowed 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.861 -178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.29 -19.69 22.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.624 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.27 94.25 0.19 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.815 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.601 ' HA ' ' HB3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -79.72 -53.0 7.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.382 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -123.36 131.18 53.57 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.022 -0.99 . . . . 0.0 108.849 171.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.715 -0.66 . . . . 0.0 110.402 -177.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.697 0 N-CA-C 112.153 -0.379 . . . . 0.0 112.153 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.14 95.37 1.64 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.042 0.448 . . . . 0.0 110.68 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.0 tpp -112.48 121.25 44.28 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.604 -178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.88 54.33 2.15 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.697 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.88 145.36 19.73 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.343 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 97.73 4.76 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.32 179.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.53 91.61 0.79 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.241 -176.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.37 -25.72 12.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.23 0.538 . . . . 0.0 109.966 178.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.821 ' HA ' ' HB3' ' A' ' 31' ' ' ARG . 3.1 t70 -83.33 43.03 0.85 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.462 177.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.444 ' HG ' ' N ' ' A' ' 11' ' ' LYS . 0.8 OUTLIER -83.07 -37.0 24.44 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.386 177.32 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.67 ' HD3' ' O ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 178.73 156.96 0.47 Allowed 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.399 -0.819 . . . . 0.0 108.974 174.202 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.67 ' O ' ' HD3' ' A' ' 11' ' ' LYS . 6.9 p -86.33 173.63 6.57 Favored Pre-proline 0 C--N 1.319 -0.756 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.759 -170.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.518 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 46.7 Cg_exo -59.78 -27.93 86.09 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 123.396 2.731 . . . . 0.0 113.263 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.614 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 16.8 m -75.0 122.04 86.6 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.571 -177.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 25.9 Cg_exo -70.83 -35.15 9.94 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.939 2.426 . . . . 0.0 112.763 -176.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.25 -40.61 15.63 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.749 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.614 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 47.3 t -70.9 139.02 50.63 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 174.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.49 -35.44 24.89 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.184 -0.322 . . . . 0.0 110.912 -173.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.01 -12.15 9.89 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -95.37 136.79 35.28 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.972 0.415 . . . . 0.0 110.726 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.27 -175.09 33.03 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.143 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.554 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 1.9 m-70 -154.17 164.57 38.31 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.233 0.613 . . . . 0.0 109.622 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.7 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -72.6 -33.92 46.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.641 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.614 HG23 ' HB2' ' A' ' 26' ' ' ASN . 0.9 OUTLIER -76.48 -18.94 58.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.034 176.51 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.02 18.35 64.49 Favored Glycine 0 CA--C 1.523 0.586 0 CA-C-N 115.923 -0.58 . . . . 0.0 113.812 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.614 ' HB2' HG23 ' A' ' 24' ' ' THR . 2.9 m-80 -106.66 10.7 30.94 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.554 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 67.9 m-85 -130.84 -177.85 4.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.989 0.423 . . . . 0.0 111.069 -176.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.54 -44.46 6.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.533 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.2 p -159.55 177.58 10.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.806 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.462 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 46.4 p-80 -148.73 170.47 18.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.699 179.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.821 ' HB3' ' HA ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -137.55 6.78 2.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.846 0.355 . . . . 0.0 110.805 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.94 166.69 21.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.136 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.53 15.37 0.81 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -8.55 45.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 -178.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.434 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -139.69 20.51 2.91 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.145 -1.026 . . . . 0.0 113.169 -176.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.8 m -69.93 112.35 12.13 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 111.885 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.7 ' HA ' HG12 ' A' ' 23' ' ' ILE . 85.6 Cg_endo -80.37 -18.12 9.85 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.82 2.347 . . . . 0.0 112.356 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -126.6 46.37 2.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.12 0.486 . . . . 0.0 110.26 178.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.481 ' C ' ' HG2' ' A' ' 40' ' ' LYS . . . -62.63 112.81 2.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.337 -177.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.873 ' HG3' ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 47.54 -133.46 1.21 Allowed 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.086 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HB3' ' H ' ' A' ' 42' ' ' SER . 1.1 mptt -125.86 -138.77 0.27 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.447 ' H ' ' HB3' ' A' ' 41' ' ' LYS . 2.7 m -78.44 63.26 3.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.158 0.504 . . . . 0.0 110.545 177.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 158.36 91.92 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.767 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.229 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.873 ' HA ' ' HG3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -87.22 -7.52 57.82 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.976 0.417 . . . . 0.0 110.888 -176.375 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.7 27.87 7.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.36 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 C--O 1.245 0.847 0 CA-C-O 118.784 -0.627 . . . . 0.0 110.52 -179.784 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.38 87.1 7.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.964 0.412 . . . . 0.0 110.497 179.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.3 tpt -76.01 132.87 40.43 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.166 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.89 76.79 2.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.109 178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.11 -12.53 9.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.982 -173.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 m-70 -128.93 107.6 9.75 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.615 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 5.1 m 67.14 -94.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.088 -174.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 44.1 -106.09 0.09 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 174.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -121.18 20.09 11.43 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.692 0.758 . . . . 0.0 110.694 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mt -100.11 -42.39 6.74 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.176 172.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.615 ' HB2' ' HA ' ' A' ' 7' ' ' SER . 0.0 OUTLIER -111.82 122.81 48.8 Favored 'General case' 0 N--CA 1.433 -1.302 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.205 177.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.546 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -67.3 172.77 3.32 Favored Pre-proline 0 C--N 1.313 -0.979 0 CA-C-N 114.734 -1.121 . . . . 0.0 111.104 -178.647 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.546 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 12.4 Cg_endo -57.68 -32.75 95.43 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 123.211 2.608 . . . . 0.0 113.431 -178.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.667 HG23 ' HD3' ' A' ' 40' ' ' LYS . 4.1 m -76.69 114.11 35.85 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -175.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.767 ' HG2' ' HB2' ' A' ' 44' ' ' LEU . 39.6 Cg_exo -66.93 -29.79 40.66 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.223 2.616 . . . . 0.0 112.808 -178.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.08 3.78 83.07 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.072 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.0 t -106.7 174.67 5.79 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.709 0.29 . . . . 0.0 110.22 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.51 -17.52 6.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.971 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.64 -4.35 46.73 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.471 -0.871 . . . . 0.0 113.085 176.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -110.3 146.04 36.39 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.789 0.328 . . . . 0.0 110.675 179.127 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.86 -174.89 43.05 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.263 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.666 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.6 m-70 -152.38 160.22 43.32 Favored 'General case' 0 C--N 1.317 -0.825 0 C-N-CA 123.454 0.702 . . . . 0.0 109.359 177.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.864 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -68.81 -29.57 44.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.674 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.576 HG23 ' HB2' ' A' ' 26' ' ' ASN . 1.3 t -76.46 -13.94 60.08 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.839 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.29 45.76 95.82 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.963 177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.576 ' HB2' HG23 ' A' ' 24' ' ' THR . 15.8 m-80 -142.09 3.94 1.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.524 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 80.5 m-85 -130.11 155.15 46.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.068 0.461 . . . . 0.0 111.022 -177.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.0 -38.74 35.92 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.239 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.435 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -159.64 175.04 13.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.044 0.45 . . . . 0.0 111.676 -176.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -154.04 -165.57 2.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.364 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.466 ' HE ' ' HB3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -159.46 15.33 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 110.6 177.286 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.42 174.16 11.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.395 -179.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -5.9 48.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -5.93 55.27 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.241 0.543 . . . . 0.0 110.229 176.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.666 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -128.36 -12.71 2.75 Favored Glycine 0 N--CA 1.442 -0.964 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.727 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.3 m -60.62 110.53 3.0 Favored Pre-proline 0 CA--C 1.53 0.181 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.864 ' HA ' HG12 ' A' ' 23' ' ' ILE . 57.8 Cg_endo -71.95 -19.11 27.23 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.419 2.079 . . . . 0.0 111.669 176.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.64 40.12 2.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.503 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.25 133.04 24.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.765 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.667 ' HD3' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -88.27 158.22 18.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.109 179.396 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -111.77 -118.12 0.3 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 177.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.55 99.45 8.08 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 120.973 0.416 . . . . 0.0 110.268 177.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.2 108.87 3.15 Favored Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 -175.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.767 ' HB2' ' HG2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -56.87 -64.38 0.9 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.679 0.276 . . . . 0.0 111.308 -175.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.667 ' H ' HD12 ' A' ' 44' ' ' LEU . 1.1 mtt180 -151.24 162.7 40.42 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 178.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.401 -0.809 . . . . 0.0 110.458 179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.929 -0.468 . . . . 0.0 111.929 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.04 36.85 3.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.918 0.389 . . . . 0.0 111.02 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.05 14.98 30.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.273 0.559 . . . . 0.0 110.391 178.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -96.64 103.46 15.37 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.169 177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -113.77 54.36 0.75 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.305 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.95 -160.84 0.97 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.778 178.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 m 65.77 176.79 0.21 Allowed 'General case' 0 C--O 1.236 0.395 0 O-C-N 123.235 0.334 . . . . 0.0 110.404 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 53.6 46.95 24.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.494 0.664 . . . . 0.0 110.084 -174.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.501 ' O ' ' HB3' ' A' ' 31' ' ' ARG . 3.2 t70 -90.87 58.68 3.89 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.985 -1.007 . . . . 0.0 110.382 -174.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.4 mt -100.14 -42.29 6.77 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.13 128.27 53.29 Favored 'General case' 0 N--CA 1.427 -1.603 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.877 176.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.631 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 27.3 p -55.33 166.63 0.86 Allowed Pre-proline 0 C--N 1.309 -1.159 0 CA-C-N 113.699 -1.591 . . . . 0.0 111.375 178.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.835 ' HG2' ' HG ' ' A' ' 33' ' ' LEU . 37.2 Cg_endo -65.59 -28.27 53.03 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.733 2.289 . . . . 0.0 113.193 -178.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.504 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 10.1 m -65.56 117.45 41.13 Favored Pre-proline 0 C--N 1.328 -0.368 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -175.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 20.5 Cg_exo -72.61 -35.17 6.35 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.162 2.575 . . . . 0.0 112.622 -177.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.65 2.53 87.99 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.643 -178.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.504 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 8.5 t -84.33 -172.71 4.32 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.156 0.503 . . . . 0.0 110.958 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.34 -20.49 4.8 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.844 174.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.75 1.15 65.96 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.929 -0.653 . . . . 0.0 113.501 174.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.9 OUTLIER -117.21 156.58 27.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.08 0.44 . . . . 0.0 110.859 -179.758 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.432 ' O ' ' HD2' ' A' ' 22' ' ' HIS . . . 68.41 -168.18 42.71 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.97 -0.559 . . . . 0.0 113.345 178.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.667 ' C ' ' HB3' ' A' ' 37' ' ' PRO . 1.7 m170 -146.86 153.34 40.04 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 123.887 0.875 . . . . 0.0 109.512 176.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.81 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -61.73 -24.13 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 174.108 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 m -51.68 -56.72 12.08 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 112.699 -2.046 . . . . 0.0 112.268 169.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.68 19.24 32.5 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.649 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -127.65 9.26 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -175.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -125.31 167.96 14.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.797 0.332 . . . . 0.0 110.699 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.47 -29.47 11.58 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.741 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -167.35 173.68 8.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.085 0.469 . . . . 0.0 111.059 -179.12 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -152.51 172.76 16.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.548 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.501 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -136.87 -6.59 1.88 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.069 0.461 . . . . 0.0 110.866 -176.301 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.36 -179.47 5.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.425 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.835 ' HG ' ' HG2' ' A' ' 13' ' ' PRO . 4.3 mt -78.41 50.33 0.93 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.33 0.586 . . . . 0.0 110.853 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.36 -35.24 15.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.861 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.59 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -170.11 53.68 0.2 Allowed Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.274 -0.965 . . . . 0.0 113.004 -176.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.6 m -58.13 113.14 5.89 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.501 0.191 . . . . 0.0 110.577 175.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.81 ' HA ' HG12 ' A' ' 23' ' ' ILE . 94.3 Cg_endo -77.87 -13.73 15.82 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.337 2.024 . . . . 0.0 110.928 178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.494 ' CB ' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -94.44 39.77 1.09 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.656 -1.156 . . . . 0.0 108.551 171.491 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.94 143.53 13.41 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.812 -174.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.41 ' HG3' ' HA ' ' A' ' 44' ' ' LEU . 5.0 mttp -51.98 -46.5 64.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.962 -1.017 . . . . 0.0 111.543 -177.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.402 ' HB3' ' H ' ' A' ' 42' ' ' SER . 0.1 OUTLIER -160.66 -117.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.239 176.872 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.402 ' H ' ' HB3' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -78.34 60.12 2.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.54 0.686 . . . . 0.0 110.013 177.05 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.76 -179.8 16.16 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.826 -172.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.542 ' HB2' HD22 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -106.02 -9.24 17.13 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.872 0.368 . . . . 0.0 110.55 -178.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.41 83.81 1.99 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.91 178.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.387 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 112.066 -0.414 . . . . 0.0 112.066 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -73.67 -37.8 65.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.65 0.262 . . . . 0.0 111.276 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.7 37.45 25.15 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -177.75 0.05 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.34 -179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.466 ' O ' ' HB3' ' A' ' 10' ' ' LEU . . . -82.9 -169.39 2.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.791 0.329 . . . . 0.0 111.441 -177.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -80.43 55.22 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.267 0.556 . . . . 0.0 110.525 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.37 -164.61 0.93 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.462 -178.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.11 -2.66 49.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.259 0.552 . . . . 0.0 110.488 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -135.15 59.03 1.74 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.619 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.466 ' HB3' ' O ' ' A' ' 5' ' ' ALA . 1.3 pp -89.35 -20.38 24.08 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.06 176.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -116.0 -158.53 0.69 Allowed 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.962 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.705 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 3.1 p -87.44 173.19 6.83 Favored Pre-proline 0 C--N 1.313 -1.003 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.927 -172.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.705 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 51.9 Cg_endo -69.64 -35.19 13.47 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.826 2.351 . . . . 0.0 112.747 179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.525 HG21 ' HA ' ' A' ' 39' ' ' ALA . 21.7 m -56.82 119.85 33.18 Favored Pre-proline 0 C--N 1.329 -0.293 0 N-CA-C 112.152 0.426 . . . . 0.0 112.152 -177.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 31.4 Cg_exo -64.59 -44.37 11.17 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.061 2.507 . . . . 0.0 113.217 -176.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.93 -15.05 79.89 Favored Glycine 0 C--N 1.33 0.204 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.91 -176.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.522 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 49.5 t -86.94 153.51 21.53 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 177.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.92 -16.19 15.42 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.815 0.341 . . . . 0.0 111.025 -176.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.03 -1.32 56.38 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.312 -0.947 . . . . 0.0 113.248 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -104.78 151.96 23.14 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 122.469 -0.43 . . . . 0.0 110.306 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.13 -169.13 53.8 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.405 -177.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.647 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.4 m-70 -153.29 155.93 37.45 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 123.787 0.835 . . . . 0.0 109.831 176.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.63 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -68.5 -22.25 26.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.406 0.622 . . . . 0.0 110.087 175.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.617 HG23 ' HB2' ' A' ' 26' ' ' ASN . 8.2 t -81.65 -11.93 58.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.139 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 59.46 34.71 82.27 Favored Glycine 0 C--N 1.336 0.565 0 C-N-CA 121.308 -0.472 . . . . 0.0 112.529 178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.617 ' HB2' HG23 ' A' ' 24' ' ' THR . 14.8 m-20 -127.18 0.07 6.44 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -175.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -126.04 -175.82 3.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.991 0.424 . . . . 0.0 111.252 -175.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.03 -36.03 6.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.021 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -164.12 173.7 12.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.948 0.404 . . . . 0.0 111.128 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.448 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 45.1 p-80 -149.66 -167.28 2.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.766 178.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -156.34 10.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.951 0.405 . . . . 0.0 111.291 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.402 ' C ' ' H ' ' A' ' 34' ' ' SER . 0.0 OUTLIER -150.98 175.63 11.88 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 179.229 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.72 33.86 0.18 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.062 0.458 . . . . 0.0 111.571 -178.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.0 OUTLIER -88.26 -28.71 20.92 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.611 179.086 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.647 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -150.6 39.68 0.84 Allowed Glycine 0 N--CA 1.443 -0.875 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.892 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.7 m -68.51 112.11 10.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.533 0.206 . . . . 0.0 110.933 178.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.63 ' HA ' HG12 ' A' ' 23' ' ' ILE . 73.6 Cg_endo -75.56 -13.85 20.15 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.451 2.101 . . . . 0.0 111.478 178.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -120.47 33.22 5.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.094 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.525 ' HA ' HG21 ' A' ' 14' ' ' THR . . . -62.03 109.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.154 -178.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 44' ' ' LEU . 3.6 mttp 66.06 166.83 0.2 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.405 -178.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.4 tttm -96.39 175.64 6.34 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.752 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.21 126.37 24.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 123.298 0.374 . . . . 0.0 110.631 177.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.477 ' HA2' HG22 ' A' ' 46' ' ' VAL . . . 91.19 40.68 5.42 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.577 -0.821 . . . . 0.0 111.741 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.517 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -70.4 -31.18 68.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.807 0.336 . . . . 0.0 110.987 -179.554 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.75 61.53 0.67 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.758 0.313 . . . . 0.0 110.589 -179.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.477 HG22 ' HA2' ' A' ' 43' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.137 0 CA-C-O 118.494 -0.765 . . . . 0.0 109.966 179.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -108.48 172.83 6.61 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.83 0.348 . . . . 0.0 111.126 -178.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.1 ttt -85.77 93.14 8.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.438 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -143.39 81.2 1.7 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.276 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -92.54 -10.91 35.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.509 -176.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -119.58 -168.47 1.59 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.382 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.8 98.39 0.09 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.096 0.474 . . . . 0.0 111.222 -177.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -138.35 168.16 20.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.001 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -81.62 50.28 1.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.201 0.524 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -93.02 2.33 56.84 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.736 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 11.0 mmtt 71.89 143.12 0.06 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-N 114.646 -1.161 . . . . 0.0 111.648 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.48 ' SG ' ' HA2' ' A' ' 19' ' ' GLY . 0.5 OUTLIER -73.53 175.61 3.43 Favored Pre-proline 0 C--N 1.319 -0.747 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.739 177.344 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HB2' ' HG ' ' A' ' 33' ' ' LEU . 86.7 Cg_exo -53.43 -27.27 39.15 Favored 'Trans proline' 0 CA--C 1.533 0.469 0 C-N-CA 122.418 2.079 . . . . 0.0 113.669 -176.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 34.2 m -81.68 121.41 79.58 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-O 121.226 0.536 . . . . 0.0 111.725 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 38.8 Cg_exo -66.54 -43.15 8.2 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.172 2.581 . . . . 0.0 112.757 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.73 5.62 73.9 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.809 -0.71 . . . . 0.0 113.041 -177.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.538 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 5.9 t -86.69 -178.65 6.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.912 0.387 . . . . 0.0 111.193 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.57 -25.68 3.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.829 178.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.48 ' HA2' ' SG ' ' A' ' 12' ' ' CYS . . . 106.52 -7.45 39.55 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.496 -0.859 . . . . 0.0 113.02 177.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 29' ' ' SER . 0.7 OUTLIER -116.05 158.91 22.43 Favored 'General case' 0 C--N 1.319 -0.742 0 O-C-N 122.445 -0.444 . . . . 0.0 110.468 179.29 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.39 -171.88 55.17 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.476 -0.869 . . . . 0.0 111.994 -178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.645 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.9 m-70 -156.62 164.31 38.33 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 123.219 0.607 . . . . 0.0 109.459 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.002 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -73.97 -28.05 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 172.688 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.645 HG22 ' HB3' ' A' ' 22' ' ' HIS . 13.9 t -73.02 -21.36 60.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.657 177.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.16 38.5 96.25 Favored Glycine 0 C--N 1.334 0.423 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.898 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.436 ' HB2' HG23 ' A' ' 24' ' ' THR . 40.9 m-20 -131.79 4.43 4.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.661 0.267 . . . . 0.0 111.462 -173.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.476 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 66.4 m-85 -129.88 -178.78 4.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.895 0.379 . . . . 0.0 111.019 -177.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -100.75 -41.75 6.77 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.704 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.452 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -155.87 177.61 11.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.028 -179.232 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.438 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 46.9 p-80 -157.02 -175.9 5.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.051 -179.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.449 ' HA ' ' HB3' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -160.46 38.33 0.17 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.702 0.763 . . . . 0.0 109.88 171.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.32 167.07 29.86 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.493 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.402 ' HG ' ' HB2' ' A' ' 13' ' ' PRO . 1.2 mt -76.36 -7.38 54.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.026 0.441 . . . . 0.0 110.368 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.0 -7.83 58.41 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.023 174.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.565 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -124.15 -20.9 2.4 Favored Glycine 0 N--CA 1.44 -1.047 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.505 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.3 m -58.94 109.64 2.04 Favored Pre-proline 0 C--O 1.233 0.209 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -177.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 1.002 ' HA ' HG12 ' A' ' 23' ' ' ILE . 75.5 Cg_endo -79.61 -12.39 13.78 Favored 'Trans proline' 0 N--CA 1.459 -0.51 0 C-N-CA 122.665 2.243 . . . . 0.0 112.23 177.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.92 30.32 7.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.264 -178.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.91 143.81 20.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.966 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.608 ' HD3' HD23 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -72.06 134.96 46.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.81 0.338 . . . . 0.0 110.268 -178.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.477 ' HB2' ' HE3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -93.45 -85.3 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.728 -177.515 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.18 -40.05 7.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.546 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.51 62.26 4.61 Favored Glycine 0 N--CA 1.446 -0.636 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.823 176.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.608 HD23 ' HD3' ' A' ' 40' ' ' LYS . 0.2 OUTLIER -59.22 -60.41 3.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.898 0.38 . . . . 0.0 110.433 -178.773 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.68 70.62 1.17 Allowed 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.235 0.54 . . . . 0.0 109.996 176.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.2 t . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.4 -0.81 . . . . 0.0 109.89 179.594 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.28 -0.328 . . . . 0.0 112.28 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.84 113.12 25.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.751 0.31 . . . . 0.0 110.329 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.82 156.41 21.35 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.479 -179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.64 -42.33 91.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.781 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 55.42 -90.12 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.887 0.742 . . . . 0.0 112.01 176.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -67.82 -36.15 79.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.181 0.515 . . . . 0.0 110.21 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.71 31.95 1.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.229 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -105.04 148.46 26.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.732 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -98.71 45.5 1.01 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.484 0.659 . . . . 0.0 110.541 -178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.18 2.8 55.08 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -126.13 -160.9 1.01 Allowed 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.696 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -89.05 177.99 2.25 Favored Pre-proline 0 C--N 1.313 -1.015 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.3 -178.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.502 ' HB2' HD12 ' A' ' 33' ' ' LEU . 49.2 Cg_exo -62.85 -26.71 74.73 Favored 'Trans proline' 0 CA--C 1.533 0.44 0 C-N-CA 122.647 2.231 . . . . 0.0 113.293 -177.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 87.8 m -71.94 119.82 76.62 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.958 0.409 . . . . 0.0 111.636 -178.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 33.3 Cg_exo -66.11 -35.08 34.92 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.052 2.501 . . . . 0.0 112.541 -176.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.69 7.55 81.6 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.742 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.409 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 4.9 t -101.4 -175.1 2.76 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.861 0.363 . . . . 0.0 110.585 -179.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.86 -22.31 0.96 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.335 -177.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.03 -6.73 32.68 Favored Glycine 0 CA--C 1.52 0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 113.013 179.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -106.23 148.1 28.32 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 122.205 -0.585 . . . . 0.0 110.796 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.8 -174.45 42.7 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.82 178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.598 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 1.9 m-70 -160.15 155.03 24.42 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.779 0.832 . . . . 0.0 109.549 177.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.897 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -70.77 -31.07 44.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.96 0.409 . . . . 0.0 110.07 175.794 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.557 HG22 ' HB3' ' A' ' 22' ' ' HIS . 14.7 t -71.6 -24.63 61.93 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.267 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.19 38.36 91.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.005 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.0 m-20 -130.33 -5.38 4.3 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.864 0.32 . . . . 0.0 111.864 -175.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.598 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 27.6 m-85 -121.96 -177.73 3.66 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -178.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.23 -46.49 4.6 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.745 0.307 . . . . 0.0 111.235 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.03 170.65 19.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.229 -179.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -146.92 -169.84 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.521 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.21 8.7 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.071 0.462 . . . . 0.0 111.162 177.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.71 171.32 14.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.273 177.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.502 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.5 OUTLIER -77.03 11.22 1.89 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -176.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -13.68 46.27 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.758 0.313 . . . . 0.0 110.631 179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.474 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -139.5 14.42 3.19 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.102 -1.047 . . . . 0.0 113.444 -176.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . 41.8 m -66.84 112.53 9.89 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.778 0.289 . . . . 0.0 110.958 178.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.897 ' HA ' HG12 ' A' ' 23' ' ' ILE . 68.3 Cg_endo -76.27 -9.46 19.0 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.685 2.257 . . . . 0.0 111.671 178.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.56 19.22 14.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.219 178.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.486 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . . . -59.62 110.43 1.13 Allowed 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.552 178.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.916 ' HA ' ' HG ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 52.37 35.42 17.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.295 -176.106 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.93 103.6 0.15 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.676 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m 58.15 31.26 20.53 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.777 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.03 120.7 0.38 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.929 -176.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.916 ' HG ' ' HA ' ' A' ' 40' ' ' LYS . 68.4 mt -67.26 -27.83 67.54 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.588 -0.36 . . . . 0.0 111.553 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.9 ttp-105 -94.09 11.04 31.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.946 0.403 . . . . 0.0 111.24 -177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.112 177.843 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.909 -0.476 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -86.66 73.83 9.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.984 0.421 . . . . 0.0 110.87 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.1 mtp -92.43 -72.45 0.6 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.972 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.89 -72.38 0.65 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.064 -0.517 . . . . 0.0 109.923 175.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.74 -102.22 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.609 174.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -86.79 62.76 7.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.355 0.598 . . . . 0.0 109.934 174.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.79 72.8 10.35 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.513 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -149.31 156.4 42.03 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.86 -177.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.1 t70 55.01 37.79 29.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.029 177.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 mt -100.35 -28.09 13.13 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 172.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.39 151.95 37.64 Favored 'General case' 0 N--CA 1.427 -1.611 0 CA-C-N 114.47 -1.241 . . . . 0.0 109.514 173.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 1.2 p -78.56 172.75 9.04 Favored Pre-proline 0 C--N 1.307 -1.263 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.44 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 52.8 Cg_exo -59.21 -38.96 82.81 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.014 2.476 . . . . 0.0 113.461 -177.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.698 HG23 ' HG3' ' A' ' 40' ' ' LYS . 7.6 m -69.13 116.09 38.47 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 120.999 0.428 . . . . 0.0 111.989 -175.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.45 ' HB2' ' HG3' ' A' ' 45' ' ' ARG . 29.6 Cg_exo -66.95 -30.48 39.48 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.174 2.583 . . . . 0.0 112.436 -179.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.0 4.6 86.26 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.275 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.5 t -101.92 177.73 4.82 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.59 -16.96 4.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.386 -178.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.42 -3.65 50.62 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.354 176.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.94 148.25 28.86 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 122.362 -0.493 . . . . 0.0 110.817 179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.3 -173.22 46.03 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.932 -178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.679 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 2.1 m-70 -155.97 166.8 32.39 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 122.962 0.505 . . . . 0.0 110.039 178.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.554 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -77.3 -28.77 16.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 172.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.561 HG23 ' H ' ' A' ' 26' ' ' ASN . 13.7 t -80.1 -27.35 39.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.322 -0.853 . . . . 0.0 111.605 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.16 34.19 85.39 Favored Glycine 0 CA--C 1.518 0.247 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.172 -179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.561 ' H ' HG23 ' A' ' 24' ' ' THR . 12.5 m-20 -122.76 -3.5 8.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.723 0.297 . . . . 0.0 111.703 -176.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.618 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 36.9 m-85 -120.5 -168.61 1.67 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.207 -178.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -107.17 -48.5 3.45 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.543 176.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.49 175.24 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.446 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.503 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 49.8 p-80 -145.71 -174.56 4.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.705 -0.225 . . . . 0.0 110.643 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.41 10.42 0.43 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.912 0.387 . . . . 0.0 111.129 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.15 170.44 16.09 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.94 -3.12 33.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.945 0.402 . . . . 0.0 111.248 -177.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.04 -13.68 59.63 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.421 0.629 . . . . 0.0 109.555 174.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.679 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -115.77 -18.26 6.12 Favored Glycine 0 N--CA 1.44 -1.055 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.948 -178.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 67.0 m -57.53 109.62 1.89 Allowed Pre-proline 0 C--O 1.234 0.243 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.554 ' HA ' HG12 ' A' ' 23' ' ' ILE . 74.3 Cg_endo -74.32 -7.05 19.25 Favored 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.377 2.051 . . . . 0.0 111.107 174.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -114.27 30.91 6.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.72 177.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.474 ' HB3' ' HE3' ' A' ' 41' ' ' LYS . . . -46.55 138.6 5.74 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.763 -175.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.698 ' HG3' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -60.0 102.2 0.15 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.865 -177.439 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HE3' ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -102.78 -82.82 0.48 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.115 -179.806 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -36.74 55.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.144 0.497 . . . . 0.0 110.103 177.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -133.61 -179.71 16.63 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.454 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.61 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -106.98 -31.23 8.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.191 0.52 . . . . 0.0 110.338 178.437 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.45 ' HG3' ' HB2' ' A' ' 15' ' ' PRO . 0.8 OUTLIER -103.5 62.7 0.78 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.713 177.015 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.98 -0.533 . . . . 0.0 110.428 -178.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 112.168 -0.373 . . . . 0.0 112.168 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -119.34 104.4 10.34 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.919 0.39 . . . . 0.0 110.812 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 mtp -84.09 58.25 4.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.223 0.535 . . . . 0.0 110.628 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -155.48 79.94 1.03 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.302 -178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.26 -57.46 10.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.248 -176.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -127.25 25.72 6.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.888 -178.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.96 159.55 28.75 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.793 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.12 -177.73 6.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 -178.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -72.53 93.63 1.6 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.265 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.68 4.89 51.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.486 176.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' NZ ' ' SG ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER 64.59 130.62 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 114.62 -1.173 . . . . 0.0 112.467 -179.097 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.636 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 25.2 p -62.12 164.38 11.01 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 114.744 -1.116 . . . . 0.0 110.849 179.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.797 ' HG2' ' HG ' ' A' ' 33' ' ' LEU . 19.3 Cg_endo -59.29 -29.0 89.15 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 123.137 2.558 . . . . 0.0 112.651 178.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.541 ' HB ' ' HB2' ' A' ' 17' ' ' CYS . 21.9 m -62.89 115.19 15.51 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.431 -179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 38.9 Cg_exo -66.14 -46.78 4.06 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.888 2.392 . . . . 0.0 112.805 -176.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -81.29 3.5 77.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.002 -0.618 . . . . 0.0 113.345 -175.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.541 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 0.5 OUTLIER -76.7 158.72 30.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.775 0.321 . . . . 0.0 111.348 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.36 -34.94 13.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.63 174.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.51 -17.74 56.24 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.896 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.72 77.42 1.13 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.651 0.725 . . . . 0.0 112.085 -175.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 156.6 -176.62 33.89 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.643 175.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.658 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.8 m-70 -144.38 148.15 34.32 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 175.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.524 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -67.92 -25.23 31.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.068 0.461 . . . . 0.0 109.998 176.317 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.658 HG22 ' HB3' ' A' ' 22' ' ' HIS . 5.8 t -70.54 -18.57 62.93 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.356 178.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.1 27.04 73.34 Favored Glycine 0 C--N 1.334 0.467 0 C-N-CA 121.004 -0.617 . . . . 0.0 112.732 177.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.509 ' HB2' HG23 ' A' ' 24' ' ' THR . 19.8 m-20 -120.79 -1.18 10.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.844 0.354 . . . . 0.0 111.2 -176.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -125.82 170.1 11.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.505 -177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -104.84 -28.95 10.84 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.917 0.389 . . . . 0.0 110.642 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.9 179.31 9.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.516 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.575 ' HB3' ' CD2' ' A' ' 22' ' ' HIS . 29.8 p-80 -161.84 164.79 28.52 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -146.75 19.24 1.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.697 0.284 . . . . 0.0 111.475 179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.23 166.19 26.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.597 0.237 . . . . 0.0 110.612 178.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.797 ' HG ' ' HG2' ' A' ' 13' ' ' PRO . 2.7 mt -78.27 70.32 4.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.185 0.517 . . . . 0.0 110.826 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 m -132.92 -41.38 0.92 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.711 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.505 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -139.19 57.65 0.62 Allowed Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.442 -0.885 . . . . 0.0 112.779 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.4 m -75.58 117.81 66.23 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.554 0.216 . . . . 0.0 111.034 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.524 ' HA ' HG12 ' A' ' 23' ' ' ILE . 71.5 Cg_endo -77.89 -23.91 8.95 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.724 2.283 . . . . 0.0 111.349 177.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.528 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -114.22 43.37 1.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.641 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.51 99.28 0.1 Allowed 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.91 -174.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.403 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.0 OUTLIER 58.72 -147.5 0.5 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.812 178.645 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' H ' ' HB3' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -169.27 177.77 4.61 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 -179.638 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.08 -45.7 93.65 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.4 66.23 0.28 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 171.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.432 ' HB3' ' H ' ' A' ' 41' ' ' LYS . 0.7 OUTLIER -61.55 131.41 50.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.685 -173.858 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.9 21.9 13.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.728 177.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 19.5 t . . . . . 0 C--O 1.251 1.141 0 CA-C-O 118.191 -0.909 . . . . 0.0 109.755 176.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 53.81 77.35 0.19 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.858 0.463 . . . . 0.0 111.566 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -120.89 132.67 55.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.499 -179.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -118.52 97.97 6.01 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.09 0.471 . . . . 0.0 110.292 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -105.02 161.48 14.18 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.87 -177.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -126.12 55.98 1.45 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.227 0.537 . . . . 0.0 109.708 178.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.8 -32.2 17.97 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.017 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.98 155.04 17.28 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.052 175.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -158.61 40.99 0.24 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.376 0.608 . . . . 0.0 110.219 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.36 -29.73 27.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.082 175.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' NZ ' ' SG ' ' A' ' 12' ' ' CYS . 1.6 pttp -135.62 -154.22 0.56 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.296 175.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' SG ' ' NZ ' ' A' ' 11' ' ' LYS . 7.2 p -75.49 167.77 33.77 Favored Pre-proline 0 C--N 1.316 -0.85 0 CA-C-O 120.834 0.35 . . . . 0.0 111.74 -177.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 34.2 Cg_exo -65.37 -37.98 28.34 Favored 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.289 2.66 . . . . 0.0 113.552 -176.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.471 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 4.4 m -64.16 119.11 52.92 Favored Pre-proline 0 N--CA 1.464 0.274 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -174.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 25.2 Cg_exo -69.51 -33.04 18.37 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.364 2.709 . . . . 0.0 112.522 -177.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -85.54 4.53 85.58 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.201 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.9 t -100.43 173.4 6.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.5 -14.4 8.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.595 179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.67 -4.62 61.69 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.63 -0.795 . . . . 0.0 113.364 175.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -107.14 156.53 18.71 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 117.038 0.419 . . . . 0.0 110.665 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.17 -168.71 54.75 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 121.069 -0.586 . . . . 0.0 112.364 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.61 ' HA ' ' O ' ' A' ' 35' ' ' GLY . 1.5 m-70 -155.78 158.83 38.78 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 123.503 0.721 . . . . 0.0 109.801 176.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.745 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -67.83 -29.84 46.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.211 0.529 . . . . 0.0 109.587 174.151 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.609 HG23 ' HB2' ' A' ' 26' ' ' ASN . 3.1 t -79.97 -11.63 59.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.954 177.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.94 18.98 58.3 Favored Glycine 0 C--N 1.335 0.493 0 CA-C-N 116.228 -0.442 . . . . 0.0 113.583 176.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.609 ' HB2' HG23 ' A' ' 24' ' ' THR . 39.9 m-20 -108.26 2.02 22.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.511 -0.405 . . . . 0.0 111.694 -174.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.579 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 92.7 m-85 -132.16 154.73 49.24 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.933 -176.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.15 -39.12 50.31 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.58 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.66 171.56 20.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.794 0.331 . . . . 0.0 111.062 -178.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.532 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 45.4 p-80 -143.62 -170.19 3.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.063 177.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.1 mmm-85 -146.69 -10.23 0.47 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.662 0.268 . . . . 0.0 111.486 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.437 ' C ' ' H ' ' A' ' 34' ' ' SER . 0.1 OUTLIER -133.05 173.89 10.94 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.817 -175.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.692 HD22 ' HG2' ' A' ' 45' ' ' ARG . 1.0 OUTLIER -76.58 23.03 0.16 Allowed 'General case' 0 C--O 1.232 0.152 0 CA-C-O 121.284 0.564 . . . . 0.0 111.27 179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.6 OUTLIER -86.51 -17.77 33.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.825 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.61 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -153.28 30.09 0.79 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.115 -1.041 . . . . 0.0 113.614 -176.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.6 m -66.0 113.69 13.33 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 120.591 0.234 . . . . 0.0 110.69 176.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.745 ' HA ' HG12 ' A' ' 23' ' ' ILE . 73.1 Cg_endo -76.74 -8.27 17.96 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.374 2.049 . . . . 0.0 111.146 177.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.23 37.54 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.747 177.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.447 ' HB1' ' HB3' ' A' ' 44' ' ' LEU . . . -55.62 126.07 23.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.476 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.446 ' HG2' ' H ' ' A' ' 40' ' ' LYS . 3.2 pttm -73.81 51.27 0.38 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -173.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt 49.91 -115.25 0.8 Allowed 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 123.496 0.718 . . . . 0.0 112.515 173.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -66.83 118.03 9.78 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.981 0.42 . . . . 0.0 110.736 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 72.9 46.49 29.04 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.133 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.498 HD12 ' HG3' ' A' ' 45' ' ' ARG . 0.1 OUTLIER -60.59 -42.06 95.97 Favored 'General case' 0 CA--C 1.521 -0.158 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.481 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.692 ' HG2' HD22 ' A' ' 33' ' ' LEU . 4.3 mtm-85 -122.53 -83.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.949 169.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.449 ' H ' ' HB2' ' A' ' 45' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.159 0 CA-C-O 117.949 -1.024 . . . . 0.0 109.369 175.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 112.333 -0.307 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.93 -59.8 2.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.604 0.24 . . . . 0.0 110.645 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.3 tpt -86.94 -56.86 3.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.888 0.375 . . . . 0.0 111.262 -178.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -125.39 178.81 5.4 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.456 -179.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -73.26 82.11 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.053 0.454 . . . . 0.0 109.909 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.88 140.23 14.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.536 -175.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.44 -35.46 75.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.035 0.445 . . . . 0.0 109.907 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -134.52 152.22 51.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.989 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -115.64 38.49 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.409 0.623 . . . . 0.0 110.416 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 74.7 mt -86.48 -24.85 25.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.544 ' HE2' ' O ' ' A' ' 18' ' ' ASP . 4.3 mmtp -128.41 174.71 9.1 Favored 'General case' 0 N--CA 1.434 -1.249 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.5 175.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.846 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 21.7 p -90.16 174.8 4.32 Favored Pre-proline 0 C--N 1.308 -1.233 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.91 178.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.846 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 27.5 Cg_endo -62.89 -25.05 74.25 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.955 2.436 . . . . 0.0 112.728 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 93.8 m -78.06 111.63 19.68 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.096 -176.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 31.1 Cg_exo -67.13 -29.54 39.57 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 123.122 2.548 . . . . 0.0 112.698 -179.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.78 2.18 85.75 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.984 -177.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.588 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 0.5 OUTLIER -78.23 162.09 26.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.979 0.419 . . . . 0.0 111.945 -179.002 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.544 ' O ' ' HE2' ' A' ' 11' ' ' LYS . 0.9 OUTLIER -94.42 -31.95 13.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.736 172.718 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.88 -16.33 59.65 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 121.112 -0.566 . . . . 0.0 113.654 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.87 77.78 1.12 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 117.429 0.614 . . . . 0.0 111.374 -176.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.99 -172.72 35.18 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.316 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.65 ' CD2' ' HB3' ' A' ' 30' ' ' HIS . 1.8 m-70 -146.29 174.91 10.92 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.671 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.6 OUTLIER -83.29 -35.49 11.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 172.567 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.768 HG23 ' H ' ' A' ' 26' ' ' ASN . 7.2 t -59.85 -35.8 75.52 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.061 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 85.59 13.38 70.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.883 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.768 ' H ' HG23 ' A' ' 24' ' ' THR . 28.3 m-80 -108.51 0.36 20.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.913 -0.169 . . . . 0.0 111.443 -176.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -126.45 166.92 16.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.754 0.311 . . . . 0.0 111.419 -175.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.28 -22.41 13.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.13 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.1 p -157.84 176.55 12.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.271 -178.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.65 ' HB3' ' CD2' ' A' ' 22' ' ' HIS . 31.1 p-80 -161.07 170.57 20.2 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 178.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.84 15.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.788 0.328 . . . . 0.0 111.378 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.07 168.95 22.41 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.338 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.597 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -77.87 14.82 0.99 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.875 0.369 . . . . 0.0 111.55 -178.499 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.65 -18.44 51.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.044 0.449 . . . . 0.0 110.886 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.554 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -152.93 36.85 0.77 Allowed Glycine 0 N--CA 1.443 -0.895 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.201 -178.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 9.2 m -69.82 114.76 27.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 123.588 0.228 . . . . 0.0 111.104 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.671 ' HA ' HG12 ' A' ' 23' ' ' ILE . 56.7 Cg_endo -74.94 -16.29 20.45 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.595 2.197 . . . . 0.0 111.796 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.588 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER -126.06 31.78 5.37 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.093 177.769 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.546 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . . . -54.39 120.05 6.05 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.303 -177.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.679 ' HG3' ' HA ' ' A' ' 44' ' ' LEU . 31.4 mmtm 56.54 -99.47 0.1 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.248 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' HB3' ' H ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -169.39 -113.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 177.238 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.439 ' H ' ' HB3' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -93.62 53.28 1.83 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.355 0.598 . . . . 0.0 110.244 177.342 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.21 131.22 2.81 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.485 -176.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.679 ' HA ' ' HG3' ' A' ' 40' ' ' LYS . 3.7 mt -84.04 -27.15 28.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.773 0.321 . . . . 0.0 111.449 -175.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.9 ptt85 -89.97 15.33 10.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.875 0.369 . . . . 0.0 110.97 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.784 -0.626 . . . . 0.0 110.521 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 111.811 -0.516 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 m 54.99 59.04 4.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.116 0.484 . . . . 0.0 111.509 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.578 ' HB3' ' HA ' ' A' ' 7' ' ' SER . 0.6 OUTLIER -117.97 17.11 14.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -178.801 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.28 -106.96 0.34 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.817 177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -105.85 -36.93 6.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.047 0.451 . . . . 0.0 111.068 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -85.94 62.91 7.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.069 0.461 . . . . 0.0 110.623 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.578 ' HA ' ' HB3' ' A' ' 3' ' ' MET . 0.0 OUTLIER -72.85 -45.61 57.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.099 178.448 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -122.83 149.73 43.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.272 175.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -87.15 70.16 10.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.479 0.656 . . . . 0.0 109.937 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.18 -25.21 42.8 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.947 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.98 103.34 12.36 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 121.941 0.877 . . . . 0.0 111.793 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.533 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 0.8 OUTLIER -57.13 171.63 0.44 Allowed Pre-proline 0 C--N 1.313 -0.999 0 CA-C-N 113.48 -1.691 . . . . 0.0 112.166 176.483 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 11.8 Cg_endo -55.79 -35.73 94.1 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.233 2.622 . . . . 0.0 113.438 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.824 HG21 ' HA ' ' A' ' 39' ' ' ALA . 4.0 m -69.66 111.76 9.97 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.692 0.282 . . . . 0.0 111.665 -179.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 26.5 Cg_exo -68.06 -25.45 37.88 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.875 2.384 . . . . 0.0 112.211 -178.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.97 -11.08 79.69 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.235 -179.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.41 ' HA ' ' CB ' ' A' ' 38' ' ' ARG . 48.1 t -92.6 158.59 15.89 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.29 -16.33 16.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 0.0 110.779 -177.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.482 ' HA2' ' SG ' ' A' ' 12' ' ' CYS . . . 97.4 -3.4 61.49 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.224 175.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.22 162.86 13.68 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.497 -0.413 . . . . 0.0 110.716 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.42 -165.35 47.0 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.711 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.538 ' C ' ' HB3' ' A' ' 37' ' ' PRO . 1.8 m-70 -154.7 156.34 36.22 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 177.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.724 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.4 OUTLIER -65.88 -23.23 31.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 173.625 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -61.98 2.22 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 113.723 -1.581 . . . . 0.0 111.9 173.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.99 26.21 8.55 Favored Glycine 0 N--CA 1.449 -0.46 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.644 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -123.36 -0.39 8.78 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -175.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -126.27 175.17 8.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.844 0.354 . . . . 0.0 111.218 -174.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.06 -37.67 9.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.607 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.46 172.23 15.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.584 0.231 . . . . 0.0 111.372 -178.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 34.9 p-80 -140.3 -157.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.827 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -155.71 -18.96 0.11 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.741 0.305 . . . . 0.0 111.482 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.41 ' C ' ' H ' ' A' ' 34' ' ' SER . 0.7 OUTLIER -128.01 -177.43 4.13 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 -178.515 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.404 ' HG ' ' HG2' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -77.69 23.87 0.23 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.113 0.482 . . . . 0.0 111.403 -179.734 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 32' ' ' SER . 0.1 OUTLIER -79.22 -28.21 42.52 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.545 178.725 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.519 ' O ' ' HA ' ' A' ' 22' ' ' HIS . . . -151.93 40.19 0.76 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.252 -0.975 . . . . 0.0 113.171 -177.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.8 m -70.76 108.32 3.52 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 123.666 0.274 . . . . 0.0 110.384 175.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.724 ' HA ' HG12 ' A' ' 23' ' ' ILE . 77.6 Cg_endo -81.65 -2.63 11.55 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.387 2.058 . . . . 0.0 111.253 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.41 ' CB ' ' HA ' ' A' ' 17' ' ' CYS . 2.5 mtt180 -121.86 20.5 10.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.056 178.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.824 ' HA ' HG21 ' A' ' 14' ' ' THR . . . -60.58 109.54 1.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.676 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 62.31 30.04 17.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.018 -176.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.13 -89.17 0.28 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.211 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.67 48.19 1.49 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.447 177.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.43 109.23 0.64 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.489 ' H ' ' HG ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -110.71 -51.47 2.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.817 0.341 . . . . 0.0 110.882 -174.485 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.423 ' H ' ' HG3' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -120.59 82.26 1.88 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.226 0.536 . . . . 0.0 110.594 -179.797 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.413 HG23 ' HB2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.878 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m 58.42 59.54 2.94 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.088 0.471 . . . . 0.0 111.35 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.97 -13.18 42.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.212 0.53 . . . . 0.0 110.557 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -154.6 35.26 0.41 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.93 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -87.85 52.11 2.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.635 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.29 163.37 18.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.583 178.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -88.3 -170.26 2.89 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.33 16.36 0.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.017 0.437 . . . . 0.0 111.722 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -94.94 34.8 1.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.631 0.729 . . . . 0.0 110.235 177.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.42 22.44 8.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.828 -1.078 . . . . 0.0 109.026 175.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HB2' ' HA3' ' A' ' 19' ' ' GLY . 0.8 OUTLIER -109.2 -151.37 0.47 Allowed 'General case' 0 N--CA 1.442 -0.872 0 CA-C-N 114.656 -1.156 . . . . 0.0 110.63 -173.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.8 ' HB2' ' HD2' ' A' ' 13' ' ' PRO . 3.5 p -94.74 177.61 1.79 Allowed Pre-proline 0 C--N 1.316 -0.884 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -174.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.8 ' HD2' ' HB2' ' A' ' 12' ' ' CYS . 71.9 Cg_endo -75.42 -26.36 10.34 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.586 2.191 . . . . 0.0 112.738 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.636 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.6 m -62.05 116.49 22.14 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.202 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 34.8 Cg_exo -64.93 -38.85 27.3 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.993 2.462 . . . . 0.0 113.034 -176.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.452 ' HA3' HD22 ' A' ' 44' ' ' LEU . . . -81.68 -13.0 80.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.668 -177.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.636 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 47.5 t -94.62 151.9 18.94 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.14 -16.44 17.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.025 -175.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.425 ' HA3' ' HB2' ' A' ' 11' ' ' LYS . . . 97.34 0.38 59.65 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.668 175.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -106.23 152.98 22.8 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 117.233 0.516 . . . . 0.0 110.516 178.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 73.95 -173.69 49.98 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.432 -178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.693 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.7 m-70 -150.27 157.86 43.53 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 122.944 0.497 . . . . 0.0 109.824 177.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.934 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.2 OUTLIER -70.27 -31.31 46.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.019 0.438 . . . . 0.0 109.831 174.443 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.693 HG22 ' HB3' ' A' ' 22' ' ' HIS . 10.6 t -68.02 -25.31 65.33 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.054 177.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.89 49.08 44.28 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.514 -179.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -144.79 5.86 1.19 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -174.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.503 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 97.7 m-85 -138.36 162.48 34.3 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.584 0.231 . . . . 0.0 110.965 -176.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.3 -38.96 18.23 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.762 0.315 . . . . 0.0 111.34 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.17 175.05 13.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.928 -178.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.584 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 45.9 p-80 -145.24 -169.29 3.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.488 177.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.14 7.64 0.33 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -176.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.15 170.9 16.81 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 121.242 -0.183 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.416 HD11 ' HE3' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -77.56 41.56 0.33 Allowed 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.468 0.48 . . . . 0.0 111.761 -178.146 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.71 -45.26 4.06 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.855 0.36 . . . . 0.0 110.449 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.531 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -114.46 29.29 7.67 Favored Glycine 0 N--CA 1.444 -0.798 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.969 -178.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.3 m -68.8 110.94 6.86 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.716 0.293 . . . . 0.0 111.514 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.934 ' HA ' HG12 ' A' ' 23' ' ' ILE . 72.3 Cg_endo -76.03 -21.6 13.84 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.144 1.896 . . . . 0.0 111.009 175.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -108.74 40.14 1.86 Allowed 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.874 176.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.4 149.53 10.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.888 -176.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.546 ' HD2' HG23 ' A' ' 14' ' ' THR . 0.0 OUTLIER -41.75 115.06 0.6 Allowed 'General case' 0 C--O 1.236 0.365 0 CA-C-N 114.628 -1.169 . . . . 0.0 111.949 -178.246 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.55 -158.85 0.67 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.528 -177.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.48 -32.52 73.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -176.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -98.97 -17.77 26.72 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.51 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.452 HD22 ' HA3' ' A' ' 16' ' ' GLY . 0.4 OUTLIER -103.28 77.81 1.56 Allowed 'General case' 0 C--N 1.322 -0.599 0 O-C-N 122.867 -0.196 . . . . 0.0 110.849 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 45' ' ' ARG . 0.8 OUTLIER 54.49 67.87 0.95 Allowed 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.649 0.593 . . . . 0.0 111.438 179.297 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.609 -0.71 . . . . 0.0 110.007 177.555 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 N-CA-C 111.848 -0.501 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.547 ' HA ' ' HB2' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -90.82 119.31 30.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.765 0.317 . . . . 0.0 110.674 179.413 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 ttt -87.87 -45.64 10.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.541 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.56 -1.24 11.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.107 0.48 . . . . 0.0 111.157 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -105.47 -179.64 4.0 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.475 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.419 ' H ' HD21 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -137.87 173.12 11.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.41 179.259 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -82.29 68.22 8.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.214 0.531 . . . . 0.0 111.147 -178.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.468 ' HB3' HD23 ' A' ' 10' ' ' LEU . . . -145.37 176.36 9.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.583 178.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -79.8 36.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.461 0.648 . . . . 0.0 111.614 -178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.545 ' HG ' ' HG3' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -92.79 -17.81 23.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.801 172.159 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.545 ' HG3' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -132.44 -162.83 1.27 Allowed 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.775 178.21 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.4 p -69.63 167.87 20.55 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 121.066 0.46 . . . . 0.0 112.032 -176.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.586 ' HD3' ' HA ' ' A' ' 32' ' ' SER . 27.5 Cg_exo -64.64 -31.47 59.46 Favored 'Trans proline' 0 CA--C 1.533 0.441 0 C-N-CA 123.329 2.686 . . . . 0.0 112.944 -179.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.621 ' HB ' ' HB3' ' A' ' 17' ' ' CYS . 2.8 m -64.97 118.2 46.69 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -174.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 27.7 Cg_exo -65.27 -37.05 33.16 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.364 2.709 . . . . 0.0 112.839 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.56 -22.77 63.87 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.554 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.621 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 53.8 t -89.52 168.05 12.48 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.547 ' HB2' ' HA ' ' A' ' 2' ' ' SER . 0.3 OUTLIER -120.48 -17.48 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.8 0.334 . . . . 0.0 111.22 -177.615 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.24 -2.33 43.65 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.28 -0.962 . . . . 0.0 113.278 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 m -100.61 134.6 43.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 117.153 0.477 . . . . 0.0 110.619 178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.49 -171.94 38.76 Favored Glycine 0 N--CA 1.443 -0.833 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.242 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.738 ' HB3' HG22 ' A' ' 24' ' ' THR . 1.9 m-70 -155.52 152.6 29.08 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 177.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.837 HG12 ' HA ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -69.7 -29.27 40.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.221 0.534 . . . . 0.0 109.743 175.157 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.738 HG22 ' HB3' ' A' ' 22' ' ' HIS . 15.3 t -69.06 -22.16 64.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.194 178.209 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.2 41.98 98.12 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.071 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -136.23 8.84 3.2 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -137.41 -170.05 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.736 0.303 . . . . 0.0 111.24 -175.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -111.89 -42.01 3.88 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.505 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.03 179.44 7.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.499 ' HB3' ' NE2' ' A' ' 22' ' ' HIS . 44.5 p-80 -153.31 -168.29 2.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.608 -179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -156.7 11.86 0.25 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.263 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.586 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -144.53 169.96 16.97 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.601 178.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 13' ' ' PRO . 0.4 OUTLIER -77.0 30.62 0.13 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.017 0.437 . . . . 0.0 111.845 -178.513 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.36 -17.85 16.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.862 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 22' ' ' HIS . . . -143.27 25.66 2.18 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.039 -1.077 . . . . 0.0 113.22 -177.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.0 m -66.63 117.95 49.54 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.743 0.306 . . . . 0.0 111.335 178.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.837 ' HA ' HG12 ' A' ' 23' ' ' ILE . 56.3 Cg_endo -72.24 -12.1 27.41 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.617 2.212 . . . . 0.0 110.977 175.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HD2' ' HA ' ' A' ' 17' ' ' CYS . 0.2 OUTLIER -119.82 43.12 2.74 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.932 176.624 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.94 139.78 26.61 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.23 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.662 ' HB2' ' HA ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -61.73 -25.37 67.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.722 -174.719 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.479 ' HA ' HD23 ' A' ' 44' ' ' LEU . 0.5 OUTLIER 65.59 -81.38 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 123.133 0.573 . . . . 0.0 110.959 -179.662 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.83 95.57 0.53 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 175.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.423 ' O ' ' HE2' ' A' ' 40' ' ' LYS . . . 71.3 60.36 4.47 Favored Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -172.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.662 ' HA ' ' HB2' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -77.26 -42.11 38.38 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.919 -0.313 . . . . 0.0 111.512 -174.551 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.457 ' HB2' HD12 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -129.74 38.3 3.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.021 0.439 . . . . 0.0 111.35 -178.29 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.794 -0.622 . . . . 0.0 109.445 174.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_