data_1udk_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 1udk _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 ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.9 t -144.85 -47.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.706 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.09 -134.2 4.85 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.24 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.01 -165.9 2.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.998 0.428 . . . . 0.0 110.707 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 t -85.86 137.71 35.6 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.971 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo . . . . . 0 C--N 1.346 0.413 0 C-N-CA 122.664 2.243 . . . . 0.0 112.424 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.708 0.289 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.2 p -104.31 162.24 13.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 111.07 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -114.25 -14.06 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.151 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.23 -177.78 0.24 Allowed 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.145 0.498 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.17 -52.56 43.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.4 p -64.58 -19.08 65.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.98 -35.42 44.53 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.1 m -74.67 145.7 82.26 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-O 120.868 0.366 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -82.95 -176.5 2.9 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.268 1.979 . . . . 0.0 113.16 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 49.35 -89.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.446 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.8 p -162.8 27.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.041 0.448 . . . . 0.0 110.506 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -88.25 144.14 26.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.295 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -89.82 150.81 22.08 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.079 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 20.3 t -99.63 104.34 16.1 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.948 0.404 . . . . 0.0 110.913 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.74 0.305 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.5 t -113.36 177.01 4.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.032 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 78.7 m -90.18 142.72 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.166 0.507 . . . . 0.0 111.105 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 t -140.37 176.9 8.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.824 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.0 m -78.6 133.86 62.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.48 130.57 17.45 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.48 2.12 . . . . 0.0 112.301 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.102 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -152.87 -70.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.06 -133.01 5.95 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.547 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.99 -164.67 2.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.952 0.406 . . . . 0.0 110.713 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t -83.25 129.81 59.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.951 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo . . . . . 0 C--N 1.347 0.473 0 C-N-CA 122.465 2.11 . . . . 0.0 112.321 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.919 0.39 . . . . 0.0 110.738 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.7 p -106.2 157.15 17.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.968 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -102.28 -21.43 14.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t 177.52 -179.55 0.24 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.648 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -51.0 -38.26 50.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.99 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.3 p -70.58 -21.29 62.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.711 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.81 -30.16 36.45 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.1 m -77.82 145.43 70.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.93 0.395 . . . . 0.0 111.193 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -81.91 -178.38 4.1 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.222 1.948 . . . . 0.0 113.25 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 47.34 -91.16 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.585 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.9 p -160.43 24.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.107 0.48 . . . . 0.0 110.509 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -81.74 140.25 34.39 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.206 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -89.71 150.72 22.19 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.343 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.4 t -99.48 99.66 10.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.891 0.377 . . . . 0.0 110.704 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.109 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 mtp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.901 0.382 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 p -116.33 167.7 10.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.7 m -94.45 139.05 31.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.8 t -140.54 -179.84 6.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.4 m -75.22 135.39 73.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.787 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.59 138.84 27.39 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.505 2.137 . . . . 0.0 112.411 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.0 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.112 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.36 -61.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.62 -133.49 6.74 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.386 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.18 -166.0 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.102 0.477 . . . . 0.0 110.793 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.2 t -88.12 140.32 30.72 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.744 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo . . . . . 0 C--N 1.347 0.467 0 C-N-CA 122.452 2.101 . . . . 0.0 112.15 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.626 0.25 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.4 p -110.3 164.17 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.008 0.432 . . . . 0.0 111.263 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.15 -12.54 10.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.041 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.4 t 177.05 178.62 0.25 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.906 0.384 . . . . 0.0 110.697 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -51.6 -44.3 62.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -68.33 -19.96 64.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.62 -30.51 39.71 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.634 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.2 m -74.56 144.91 81.42 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.948 0.404 . . . . 0.0 111.25 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 33' ' ' VAL . 98.5 Cg_endo -82.7 -178.31 3.86 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.278 1.986 . . . . 0.0 113.08 -179.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 47.4 -90.21 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.52 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 31' ' ' PRO . 14.8 p -161.35 26.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.149 0.5 . . . . 0.0 110.515 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -84.22 144.15 29.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.07 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -89.65 147.74 23.72 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.061 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.1 t -99.42 103.38 15.16 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.0 0.429 . . . . 0.0 110.581 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.149 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.0 mmt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.895 0.379 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.57 169.96 11.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.9 m -96.4 143.98 26.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.16 0.505 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.6 t -140.56 -177.12 4.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.3 m -81.94 136.94 46.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.27 134.38 26.77 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.507 2.138 . . . . 0.0 112.27 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.882 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.823 0.344 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -141.47 -65.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.78 -133.69 8.15 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.347 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -150.17 -166.25 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.934 0.397 . . . . 0.0 110.749 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t -71.65 136.73 83.15 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--N 1.346 0.405 0 C-N-CA 122.42 2.08 . . . . 0.0 112.256 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.676 0.274 . . . . 0.0 111.366 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.4 159.87 17.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.0 0.428 . . . . 0.0 111.285 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -112.78 -13.22 13.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.976 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.33 -177.52 0.18 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.116 0.484 . . . . 0.0 110.813 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -51.47 -50.25 60.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.048 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.6 p -66.53 -18.63 65.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.795 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.9 -34.53 42.39 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.492 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 10.1 m -73.94 147.43 86.19 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.975 0.417 . . . . 0.0 111.232 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -84.17 -175.32 2.15 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.36 2.04 . . . . 0.0 113.21 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 45.08 -97.86 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.552 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -148.54 13.16 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-O 120.959 0.409 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.411 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 9.7 mt-30 -76.47 143.73 40.31 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.093 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 14.5 mptt -89.73 170.6 10.3 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.283 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.0 t -114.82 101.69 9.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.838 0.351 . . . . 0.0 110.625 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.055 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.868 0.366 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.3 p -108.45 171.81 7.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 95.1 m -93.64 145.62 24.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.021 0.438 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -140.55 -174.24 3.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.4 m -81.7 137.84 47.43 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.776 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.32 126.86 13.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.467 2.111 . . . . 0.0 112.364 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.836 0.351 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.7 m -147.54 -70.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.95 -134.4 7.59 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.99 -163.79 1.86 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.905 0.383 . . . . 0.0 110.72 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.09 135.75 76.59 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--N 1.346 0.443 0 C-N-CA 122.412 2.075 . . . . 0.0 112.473 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.783 0.325 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.5 p -101.27 158.6 15.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.124 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -112.39 -14.24 13.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.959 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.54 -177.33 0.14 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.135 0.493 . . . . 0.0 110.85 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -49.57 -53.9 21.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -19.46 64.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.82 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.78 -36.26 48.33 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.611 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 7.8 m -79.55 140.8 55.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.755 0.312 . . . . 0.0 111.175 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 3.0 Cg_exo -74.67 -174.71 1.97 Allowed 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.354 2.036 . . . . 0.0 113.151 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 46.95 -95.71 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.505 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -154.92 20.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.183 0.516 . . . . 0.0 110.594 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.415 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 14.5 mt-30 -82.16 143.0 31.74 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 7.0 mptt -89.69 172.4 8.96 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.4 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.5 t -113.7 102.17 10.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.6 mmt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.847 0.356 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.6 p -114.28 178.09 4.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 89.2 m -87.47 146.29 25.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.74 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.45 176.57 8.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.958 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.3 m -81.47 133.97 52.15 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.864 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.2 125.4 10.8 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.467 2.112 . . . . 0.0 112.294 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.6 p . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.1 t -141.65 -56.01 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.716 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.38 -133.85 8.26 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.229 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.09 -170.47 3.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.162 0.506 . . . . 0.0 110.719 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.0 t -86.25 138.11 34.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.681 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo . . . . . 0 C--N 1.345 0.388 0 C-N-CA 122.541 2.161 . . . . 0.0 112.328 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.748 0.309 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.9 p -113.0 164.22 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.201 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.51 -17.35 12.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.87 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.26 177.9 1.79 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.025 0.44 . . . . 0.0 110.776 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -53.7 -46.87 70.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.5 p -62.62 -23.0 66.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.675 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.0 -32.14 40.88 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.417 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 m -68.84 144.1 95.48 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.895 0.379 . . . . 0.0 111.237 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' VAL . 78.1 Cg_endo -81.39 179.85 5.51 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.152 1.901 . . . . 0.0 112.974 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 46.59 -89.46 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.609 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' PRO . 14.9 p -162.29 28.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.26 0.553 . . . . 0.0 110.414 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -83.96 146.5 27.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.19 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.53 147.4 23.99 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.842 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.9 t -99.32 90.67 4.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.103 0.477 . . . . 0.0 110.326 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.008 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.743 0.306 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.7 p -116.86 170.19 8.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.4 m -90.84 141.82 28.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.317 0.58 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 t -140.6 178.97 6.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.755 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.9 m -70.83 130.67 88.26 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.69 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.96 133.83 26.11 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.442 2.095 . . . . 0.0 112.251 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.5 p -151.47 -60.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.61 -133.81 7.83 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.406 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.25 -164.12 1.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.934 0.397 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.6 t -89.81 138.15 28.05 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo . . . . . 0 N--CA 1.461 -0.43 0 C-N-CA 122.605 2.203 . . . . 0.0 112.368 179.907 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.674 0.273 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.0 p -123.49 162.14 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 111.441 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -114.63 -14.13 12.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.75 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.78 177.92 1.04 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 120.966 0.413 . . . . 0.0 110.793 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -52.32 -44.18 64.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.4 m -69.22 -19.59 63.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.676 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.43 -38.62 37.96 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.521 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 6.0 m -69.9 147.8 96.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.95 0.405 . . . . 0.0 111.304 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -82.22 -178.57 4.13 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.27 1.98 . . . . 0.0 113.077 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 43.95 -93.43 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.674 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 m -147.64 5.01 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-O 120.842 0.353 . . . . 0.0 111.072 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 32.4 mt-30 -61.46 141.37 57.73 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 14.1 mptt -89.81 168.47 12.05 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.927 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.0 t -112.92 99.33 7.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.91 0.386 . . . . 0.0 110.656 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.958 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.865 0.364 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.3 p -120.31 176.76 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.721 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 65.3 m -83.22 147.31 28.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.113 0.482 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 t -140.44 167.2 22.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.6 m -77.54 114.9 45.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.691 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.2 131.98 37.41 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.365 2.043 . . . . 0.0 112.38 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.001 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.833 0.349 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.1 m -145.67 -65.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.27 -133.91 8.28 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.398 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.13 -163.49 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.991 0.424 . . . . 0.0 110.974 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.7 t -88.01 138.36 30.99 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.688 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo . . . . . 0 C--N 1.346 0.403 0 C-N-CA 122.471 2.114 . . . . 0.0 112.346 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.851 0.357 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 p -105.67 163.29 12.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.257 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -111.88 -16.78 13.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.019 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.95 -177.57 0.15 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.154 0.502 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -50.22 -52.29 37.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 p -65.92 -17.92 64.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.04 -29.49 46.15 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.62 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.1 m -75.57 143.12 75.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 120.884 0.373 . . . . 0.0 111.424 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -71.69 174.87 10.4 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.381 2.054 . . . . 0.0 112.983 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 47.74 -91.72 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.565 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.9 p -158.85 22.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.126 0.489 . . . . 0.0 110.709 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -77.2 145.76 37.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -89.63 150.12 22.52 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.113 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.4 t -99.58 95.13 6.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.005 0.431 . . . . 0.0 110.875 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.832 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.757 0.313 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.9 p -110.32 167.47 10.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 76.2 m -93.6 140.92 29.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.186 0.517 . . . . 0.0 111.079 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.2 t -140.69 -172.16 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.6 m -82.97 138.6 42.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.9 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.54 136.66 34.14 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.587 2.192 . . . . 0.0 112.267 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.056 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.793 0.33 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -138.43 -72.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.95 -131.61 4.57 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.521 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 p -149.93 -165.33 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.812 0.339 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.5 t -78.98 139.72 57.38 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.704 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo . . . . . 0 N--CA 1.461 -0.425 0 C-N-CA 122.538 2.159 . . . . 0.0 112.309 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.583 0.23 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.6 p -115.94 173.47 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 111.221 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -115.67 -19.63 10.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.198 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t 179.56 178.29 0.54 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.986 0.422 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -43.1 -59.59 1.98 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.579 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -20.42 52.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.53 -54.54 12.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.804 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 1.4 m -60.02 143.21 88.37 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 120.879 0.371 . . . . 0.0 111.153 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 12.5 Cg_exo -70.27 -175.98 1.47 Allowed 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.4 2.067 . . . . 0.0 113.186 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 48.29 -99.37 0.05 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.468 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 m -154.11 24.9 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-O 121.081 0.467 . . . . 0.0 110.229 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -83.45 142.8 30.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.334 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 0.0 OUTLIER -89.74 172.66 8.76 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.28 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.4 m -114.24 110.62 20.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.867 0.365 . . . . 0.0 110.978 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.2 mmt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.9 p -115.04 168.3 10.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 81.8 m -75.48 138.85 41.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.181 0.515 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 t -137.25 153.71 50.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.3 m -59.54 125.94 81.08 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.045 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.27 123.87 12.89 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.588 2.192 . . . . 0.0 112.213 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.4 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.014 179.888 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.753 0.311 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -153.87 -63.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.285 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.55 -133.74 8.22 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.658 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.05 -164.93 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.875 0.369 . . . . 0.0 110.649 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -77.88 141.0 63.15 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.809 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo . . . . . 0 C--N 1.346 0.438 0 C-N-CA 122.458 2.106 . . . . 0.0 112.223 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.622 0.248 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 p -104.85 158.45 16.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.027 0.442 . . . . 0.0 111.349 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.01 -10.57 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.914 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.49 -177.84 0.15 Allowed 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.037 0.446 . . . . 0.0 110.674 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.79 -49.24 63.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -67.26 -18.58 65.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.13 -36.51 40.27 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.3 m -73.91 146.58 85.37 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.982 0.42 . . . . 0.0 111.241 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.99 -175.24 2.15 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.285 1.99 . . . . 0.0 113.07 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 46.73 -91.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.482 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.9 p -159.41 25.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.12 0.486 . . . . 0.0 110.565 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -85.82 146.92 26.54 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 12.0 mptt -89.6 170.4 10.51 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.926 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t -113.43 98.26 6.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.842 0.353 . . . . 0.0 110.8 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.9 mmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.868 0.366 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -114.06 173.41 6.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 66.9 m -90.16 148.4 22.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.211 0.529 . . . . 0.0 111.171 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.54 -177.79 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.864 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.1 m -89.48 138.42 28.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.627 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.77 118.26 5.58 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.447 2.098 . . . . 0.0 112.442 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.865 179.781 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.832 0.349 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 p -149.57 -62.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.99 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.96 -133.6 8.17 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.55 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.89 -164.82 2.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.956 0.408 . . . . 0.0 110.783 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -80.56 141.53 52.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo . . . . . 0 C--N 1.347 0.5 0 C-N-CA 122.594 2.196 . . . . 0.0 112.238 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.713 0.292 . . . . 0.0 111.268 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.1 p -107.45 170.9 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 111.209 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -111.39 -22.46 11.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.817 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.09 178.79 1.08 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -44.53 -59.21 2.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -60.23 -20.41 58.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.71 -54.25 26.64 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.475 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -59.99 149.24 74.74 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 120.922 0.391 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.66 179.4 6.55 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.206 1.938 . . . . 0.0 113.32 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 52.99 -88.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.373 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 p -166.29 29.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.13 0.49 . . . . 0.0 110.299 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -85.32 142.65 29.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.317 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -89.67 168.9 11.76 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.093 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.9 m -112.11 114.87 27.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.7 mmt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.851 0.357 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.0 p -109.75 165.9 11.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.0 m -76.87 137.68 39.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.123 0.487 . . . . 0.0 110.987 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.7 t -139.98 148.37 41.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.76 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.0 m -58.51 129.72 84.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.06 127.26 14.11 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.412 2.075 . . . . 0.0 112.236 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.086 179.902 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -154.41 -70.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.63 -134.18 8.18 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.26 -166.82 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.09 0.471 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.2 t -83.62 140.05 41.09 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.698 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--N 1.346 0.447 0 C-N-CA 122.386 2.057 . . . . 0.0 112.264 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.754 0.311 . . . . 0.0 111.317 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.9 p -96.05 164.67 12.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.942 0.401 . . . . 0.0 111.23 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -117.34 -12.02 10.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.17 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 t 176.78 178.64 0.23 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.924 0.392 . . . . 0.0 110.685 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -51.21 -46.15 62.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m -66.49 -20.84 66.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.653 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.15 -44.89 42.9 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.409 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.5 m -70.91 137.76 85.14 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.919 0.39 . . . . 0.0 111.002 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.73 -170.2 0.69 Allowed 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.161 1.908 . . . . 0.0 113.283 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 52.71 -90.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.31 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.8 p -161.77 24.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.989 0.423 . . . . 0.0 110.729 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.433 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 17.9 mt-30 -91.35 145.7 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.335 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 11.0 mptt -89.65 176.23 6.95 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.299 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.1 t -123.4 103.29 8.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.979 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.774 0.321 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.56 175.68 5.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 95.8 m -85.85 146.69 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.023 0.439 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.1 t -140.56 174.47 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.231 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.4 m -87.32 123.43 69.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.42 138.29 65.33 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.45 2.1 . . . . 0.0 112.55 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.5 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.269 179.902 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.87 0.366 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.7 p -140.11 -62.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -108.31 -134.3 7.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.407 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.03 -164.43 2.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.842 0.353 . . . . 0.0 110.822 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -80.13 139.74 52.99 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo . . . . . 0 C--N 1.347 0.457 0 C-N-CA 122.482 2.121 . . . . 0.0 112.151 179.88 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 pp . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.627 0.251 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.5 p -119.92 162.66 18.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.938 0.399 . . . . 0.0 111.18 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -115.47 -14.25 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.189 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t 178.05 178.91 0.34 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.045 0.45 . . . . 0.0 110.825 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -49.76 -47.77 50.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -63.76 -21.95 66.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.635 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.92 -40.25 44.49 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.439 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.0 m -76.99 143.04 69.9 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.906 0.384 . . . . 0.0 111.053 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -86.38 -171.61 0.86 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.398 2.066 . . . . 0.0 113.346 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 49.19 -93.9 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.439 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.8 p -155.98 20.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.04 0.448 . . . . 0.0 110.677 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 14.2 mt-30 -84.43 142.06 30.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 11.3 mptt -89.54 173.11 8.51 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.117 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.3 t -109.43 87.7 2.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.835 0.35 . . . . 0.0 111.05 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.657 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.1 mtt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.917 0.389 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.0 p -121.45 174.6 6.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.469 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 86.9 m -80.79 145.27 31.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.115 0.483 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.44 178.87 7.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.954 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.3 m -83.82 135.07 43.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.4 129.0 15.23 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.438 2.092 . . . . 0.0 112.274 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.03 -179.924 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.912 0.387 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.1 m -144.94 -74.66 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.28 -132.81 6.35 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 p -150.08 -174.76 4.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.005 0.431 . . . . 0.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.3 t -75.91 137.9 69.48 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.788 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 C--N 1.346 0.436 0 C-N-CA 122.364 2.043 . . . . 0.0 112.206 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.703 0.287 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.83 159.08 15.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.018 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -111.7 -14.59 13.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.006 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.1 t 178.48 179.65 0.35 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.04 0.448 . . . . 0.0 110.874 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -49.04 -52.06 27.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.068 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 p -62.63 -20.66 65.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.787 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.03 -35.25 44.84 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.438 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 m -76.41 148.0 79.78 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.885 0.374 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -82.06 -176.13 2.86 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 122.283 1.989 . . . . 0.0 113.254 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 46.42 -97.94 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.537 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -150.16 16.8 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-O 121.055 0.455 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -79.94 143.5 34.14 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.166 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 10.6 mptt -89.56 174.05 7.98 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.258 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.7 t -112.96 98.25 7.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.758 0.313 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.9 mmt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.931 0.396 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.6 p -109.59 -176.61 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.801 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 84.1 m -90.49 146.13 24.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.815 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.41 179.04 6.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.063 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.4 m -89.75 135.14 30.92 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.661 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 70.5 Cg_endo -74.51 131.5 14.99 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.424 2.083 . . . . 0.0 112.479 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.3 p . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.068 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.77 0.319 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.17 -60.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.22 -134.39 7.52 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.464 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.09 -163.99 1.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.915 0.388 . . . . 0.0 110.772 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.8 t -77.21 138.31 64.54 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo . . . . . 0 C--N 1.346 0.405 0 C-N-CA 122.513 2.142 . . . . 0.0 112.382 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.654 0.264 . . . . 0.0 111.478 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.7 p -116.58 173.75 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 111.378 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -124.04 -4.68 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.221 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.6 t 172.6 171.25 0.12 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.023 0.44 . . . . 0.0 110.94 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -43.88 -59.35 2.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -21.36 49.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.701 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.27 -56.43 13.85 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.489 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 m -61.14 149.44 82.27 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-O 120.9 0.381 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -81.66 -172.85 1.58 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 122.356 2.038 . . . . 0.0 113.537 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 50.77 -100.55 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.8 m -153.52 21.33 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-O 120.945 0.402 . . . . 0.0 110.375 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 6.0 mt-30 -83.42 142.21 31.14 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.423 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 0.2 OUTLIER -89.69 176.1 6.99 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 -179.655 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 70.3 m -117.07 117.0 28.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.722 0.296 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.886 0.374 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.6 p -122.69 167.3 13.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.936 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.436 ' HB3' ' NE2' ' A' ' 34' ' ' GLN . 57.3 m -72.5 137.06 46.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.177 0.513 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 t -140.12 161.13 38.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.039 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.8 m -68.21 128.36 93.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.35 131.47 17.73 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.532 2.155 . . . . 0.0 112.375 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.025 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.829 0.347 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.43 -55.91 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.07 -134.11 7.47 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.36 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.04 -170.59 3.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.947 0.403 . . . . 0.0 110.571 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -83.8 135.01 43.32 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.788 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 C--N 1.346 0.433 0 C-N-CA 122.455 2.103 . . . . 0.0 112.407 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.831 0.348 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.0 p -108.62 170.94 7.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.154 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -113.0 -19.46 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.88 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.11 -177.71 0.17 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.122 0.487 . . . . 0.0 110.837 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -53.12 -41.28 64.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.8 m -70.47 -19.81 62.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.7 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.58 -33.82 33.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.551 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.2 m -75.55 140.47 71.88 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.944 0.402 . . . . 0.0 111.155 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -86.75 -173.09 1.08 Allowed 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 122.301 2.001 . . . . 0.0 113.234 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 50.82 -90.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.325 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.8 p -161.74 25.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.136 0.493 . . . . 0.0 110.681 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -88.06 141.88 28.22 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.41 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -89.75 152.82 21.12 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.886 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.9 t -99.68 95.77 7.18 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.94 0.4 . . . . 0.0 110.755 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.961 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.0 mmt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.823 0.344 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.2 p -137.19 163.2 31.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.785 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.1 m -85.42 139.39 31.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.23 0.538 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.5 t -140.6 176.33 8.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.2 m -74.66 132.62 77.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.759 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.71 137.65 25.2 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.469 2.113 . . . . 0.0 112.295 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.3 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.05 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.66 -63.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.779 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.69 -135.03 6.55 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.315 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.27 -162.68 1.6 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.851 0.358 . . . . 0.0 110.734 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -66.03 137.99 96.07 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo . . . . . 0 C--N 1.345 0.394 0 C-N-CA 122.573 2.182 . . . . 0.0 112.248 -179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.545 0.212 . . . . 0.0 111.352 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.97 -178.62 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 111.305 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -99.74 -35.37 9.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.076 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.05 -174.78 2.12 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.288 0.566 . . . . 0.0 111.313 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -44.13 -54.66 5.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.661 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -66.91 -15.57 63.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.167 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.25 -41.61 25.81 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.83 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.61 142.96 96.53 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.846 0.355 . . . . 0.0 111.165 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -71.37 -179.34 3.55 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.417 2.078 . . . . 0.0 113.105 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 46.76 -91.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.665 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 p -161.64 27.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.059 0.457 . . . . 0.0 110.369 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -86.29 144.46 27.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.18 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -93.28 156.1 17.02 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.392 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.71 96.47 7.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.899 0.38 . . . . 0.0 110.398 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.218 -179.501 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 mtt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.803 0.335 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.4 t -112.59 159.85 18.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.682 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 65.4 m -74.74 134.4 41.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.438 0.637 . . . . 0.0 111.352 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.8 t -140.61 164.66 29.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.672 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.4 m -64.25 127.95 92.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.69 130.89 18.91 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.441 2.094 . . . . 0.0 112.52 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.947 179.792 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.837 0.351 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.24 -57.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.85 -134.85 6.72 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.381 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.25 -168.93 3.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.041 0.448 . . . . 0.0 110.64 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.7 t -90.16 140.54 27.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.733 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo . . . . . 0 C--N 1.347 0.462 0 C-N-CA 122.412 2.075 . . . . 0.0 112.126 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.779 0.324 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.4 p -104.34 159.65 15.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -111.88 -14.29 13.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.044 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t 178.1 179.17 0.34 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.991 0.424 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -49.24 -48.98 45.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.013 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -64.53 -20.64 66.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.12 -42.98 41.62 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.7 m -71.65 141.21 84.79 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.946 0.403 . . . . 0.0 111.059 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -86.61 -172.08 0.92 Allowed 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 122.342 2.028 . . . . 0.0 113.373 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 51.04 -99.5 0.07 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.319 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -148.71 16.6 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 120.958 0.408 . . . . 0.0 110.752 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -84.92 141.96 30.02 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.17 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 9.7 mptt -89.79 174.77 7.53 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.335 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.0 t -113.48 96.51 5.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.901 0.381 . . . . 0.0 110.722 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.06 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.747 0.308 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.01 -177.09 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 93.1 m -90.98 146.95 23.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.099 0.476 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 t -140.39 -175.85 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.981 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.1 m -85.33 136.69 37.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.17 128.69 13.23 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.571 2.18 . . . . 0.0 112.363 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.0 p . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.062 179.843 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.893 0.377 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.0 t -160.97 -70.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.67 -133.41 7.1 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.462 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.06 -164.16 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.957 0.408 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 t -87.53 140.08 31.77 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.814 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo . . . . . 0 C--N 1.347 0.448 0 C-N-CA 122.366 2.044 . . . . 0.0 112.251 179.935 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.663 0.268 . . . . 0.0 111.333 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.9 p -110.31 172.12 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.401 . . . . 0.0 111.149 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.01 7.67 3.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.308 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t 169.49 170.92 0.05 OUTLIER 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.013 0.435 . . . . 0.0 110.819 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.58 -50.94 66.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.3 p -60.09 -23.08 63.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.49 -32.07 43.55 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.414 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 1.7 m -71.62 143.13 86.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.854 0.359 . . . . 0.0 111.205 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 7.4 Cg_exo -72.53 176.32 8.93 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 122.328 2.019 . . . . 0.0 112.85 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 45.5 -95.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.613 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.77 16.54 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 121.026 0.441 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.446 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 10.0 mt-30 -72.59 143.58 48.18 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.06 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -89.81 148.99 22.88 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.222 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.7 t -99.62 104.16 15.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.904 0.383 . . . . 0.0 110.75 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.8 p -123.96 176.16 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 34' ' ' GLN . 96.0 m -96.68 144.46 26.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.8 t -140.81 171.65 13.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.093 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.8 m -76.07 117.98 67.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.724 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -51.98 135.06 50.77 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.481 2.12 . . . . 0.0 112.567 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.865 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.9 m -150.6 -61.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.63 -133.55 8.07 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.572 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.03 -165.59 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.942 0.401 . . . . 0.0 110.82 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.9 t -84.68 139.59 37.89 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.764 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo . . . . . 0 C--N 1.347 0.452 0 C-N-CA 122.459 2.106 . . . . 0.0 112.274 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.704 0.287 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 p -108.71 164.88 11.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.941 0.401 . . . . 0.0 111.268 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -127.42 3.6 6.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.017 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t 169.01 173.17 0.04 OUTLIER 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.91 0.386 . . . . 0.0 110.493 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -53.39 -41.57 66.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.04 -21.3 64.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.569 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.8 -37.76 38.4 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.368 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 33.9 m -71.71 148.16 92.4 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-O 120.962 0.411 . . . . 0.0 111.169 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -84.13 -177.51 3.06 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.362 2.041 . . . . 0.0 113.454 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 42.84 -94.43 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.795 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -144.9 2.16 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 120.853 0.358 . . . . 0.0 111.064 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.418 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 3.4 mt-30 -61.92 140.35 58.31 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 13.7 mptt -91.42 169.07 11.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.36 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.7 t -114.45 101.0 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.846 0.355 . . . . 0.0 110.439 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 14.6 mmm . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.911 0.386 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.1 p -110.1 168.15 9.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.71 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 93.7 m -90.66 145.74 24.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.145 0.497 . . . . 0.0 111.149 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.8 t -140.51 -175.46 4.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.764 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.7 m -83.04 137.98 42.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.788 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.47 136.11 27.89 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.403 2.069 . . . . 0.0 112.318 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.266 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.805 0.336 . . . . 1.0 111.151 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 61.21 107.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.98 -60.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.9 t -144.85 -47.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.706 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.09 -134.2 4.85 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.24 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.01 -165.9 2.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.998 0.428 . . . . 0.0 110.707 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 t -85.86 137.71 35.6 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.971 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -82.94 85.8 1.54 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.664 2.243 . . . . 0.0 112.424 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.1 108.05 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -159.69 -45.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.8 m 60.72 27.73 17.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.41 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -72.82 -60.09 2.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' ' 12' ' ' MET . 43.5 Cg_endo -68.41 121.38 8.33 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.459 2.106 . . . . 0.0 112.324 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mt -128.07 103.62 20.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.68 110.75 1.95 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.497 2.131 . . . . 0.0 112.374 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.41 -27.42 11.22 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.563 2.175 . . . . 0.0 112.285 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 tp -57.08 155.02 8.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.34 85.18 0.13 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.347 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.3 mt -135.32 97.18 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.751 0.31 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.59 72.8 1.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.88 116.8 3.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.1 t -58.44 -175.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -160.77 -46.21 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.068 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.2 p -104.31 162.24 13.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 111.07 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -114.25 -14.06 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.151 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.23 -177.78 0.24 Allowed 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.145 0.498 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.17 -52.56 43.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.4 p -64.58 -19.08 65.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.98 -35.42 44.53 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.1 m -74.67 145.7 82.26 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-O 120.868 0.366 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -82.95 -176.5 2.9 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.268 1.979 . . . . 0.0 113.16 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 49.35 -89.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.446 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.8 p -162.8 27.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.041 0.448 . . . . 0.0 110.506 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -88.25 144.14 26.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.295 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.1 mptt -89.82 150.81 22.08 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.079 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 20.3 t -99.63 104.34 16.1 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.948 0.404 . . . . 0.0 110.913 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.61 -175.08 3.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.87 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.93 92.89 4.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -138.79 59.02 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.786 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.33 -109.23 0.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.568 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.5 t -98.63 25.5 6.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.312 . . . . 0.0 111.05 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.82 26.23 42.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.654 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.66 -176.39 2.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.931 0.395 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.6 mtt -104.81 95.15 5.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.377 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.5 t -113.36 177.01 4.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.032 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 78.7 m -90.18 142.72 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.166 0.507 . . . . 0.0 111.105 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 t -140.37 176.9 8.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.824 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.0 m -78.6 133.86 62.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.48 130.57 17.45 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.48 2.12 . . . . 0.0 112.301 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.5 p -106.86 136.53 19.43 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.102 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 C--O 1.248 1.007 0 C-N-CA 122.49 2.127 . . . . 1.0 112.241 179.95 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.817 0.341 . . . . 1.0 111.166 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 61.65 149.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.85 -53.28 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -152.87 -70.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.06 -133.01 5.95 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.547 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.99 -164.67 2.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.952 0.406 . . . . 0.0 110.713 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t -83.25 129.81 59.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.951 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.43 148.71 88.21 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.465 2.11 . . . . 0.0 112.321 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 54.78 -176.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.4 tpp -140.52 -68.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -44.97 167.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.545 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.6 mtp -130.18 71.35 82.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.16 -19.44 41.68 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.602 2.202 . . . . 0.0 112.598 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.7 mm -70.91 132.92 86.42 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.066 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -77.94 146.92 23.63 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.542 2.161 . . . . 0.0 112.312 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.42 -29.07 66.82 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.509 2.14 . . . . 0.0 112.237 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.39 77.49 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 148.88 102.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.622 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.4 mt -151.78 107.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.892 0.377 . . . . 0.0 110.945 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.2 m -57.19 -80.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.039 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -179.89 170.32 1.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.439 ' HB ' ' CZ ' ' A' ' 43' ' ' PHE . 3.4 t -81.01 176.1 10.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.63 -50.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.738 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.7 p -106.2 157.15 17.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.968 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -102.28 -21.43 14.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t 177.52 -179.55 0.24 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.648 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -51.0 -38.26 50.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.99 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.3 p -70.58 -21.29 62.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.711 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.81 -30.16 36.45 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.1 m -77.82 145.43 70.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.93 0.395 . . . . 0.0 111.193 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -81.91 -178.38 4.1 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.222 1.948 . . . . 0.0 113.25 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 47.34 -91.16 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.585 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.9 p -160.43 24.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.107 0.48 . . . . 0.0 110.509 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -81.74 140.25 34.39 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.206 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -89.71 150.72 22.19 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.343 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.4 t -99.48 99.66 10.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.891 0.377 . . . . 0.0 110.704 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.9 -174.79 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.109 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -102.43 105.7 16.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -176.68 177.22 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.94 -60.88 4.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -164.36 -67.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.761 0.315 . . . . 0.0 110.792 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.73 -157.15 1.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.349 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.439 ' CZ ' ' HB ' ' A' ' 22' ' ' THR . 14.9 p90 -118.25 -10.25 10.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.609 0.242 . . . . 0.0 111.55 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.415 ' HG3' ' CD2' ' A' ' 43' ' ' PHE . 1.3 mtp -141.75 73.99 1.44 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.901 0.382 . . . . 0.0 110.952 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 p -116.33 167.7 10.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 63.7 m -94.45 139.05 31.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.8 t -140.54 -179.84 6.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.4 m -75.22 135.39 73.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.787 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -73.59 138.84 27.39 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.505 2.137 . . . . 0.0 112.411 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.0 p -109.75 116.45 54.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 122.447 2.098 . . . . 1.0 112.292 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.781 0.324 . . . . 1.0 111.151 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 62.27 117.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -90.01 -55.9 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.36 -61.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.62 -133.49 6.74 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.386 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.18 -166.0 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.102 0.477 . . . . 0.0 110.793 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.2 t -88.12 140.32 30.72 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.744 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -60.23 -162.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.452 2.101 . . . . 0.0 112.15 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -178.06 54.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.5 -72.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -42.83 124.97 3.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.717 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.421 ' N ' ' HD3' ' A' ' 13' ' ' PRO . 4.3 ttp -139.27 64.9 33.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 12' ' ' MET . 11.2 Cg_exo -70.89 146.84 54.23 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.755 2.303 . . . . 0.0 112.228 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.425 ' N ' ' CD ' ' A' ' 15' ' ' PRO . 2.7 mp -135.43 51.45 5.67 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 14' ' ' ILE . 77.0 Cg_endo -77.23 114.74 3.82 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.587 2.191 . . . . 0.0 112.393 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.13 44.3 1.63 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.613 2.209 . . . . 0.0 112.642 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 tp -101.62 -49.81 3.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.58 44.38 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.539 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.428 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 4.4 tt -83.74 3.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.817 0.342 . . . . 0.0 111.528 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.9 m -80.64 85.06 6.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.85 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -139.33 92.48 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.5 t -60.6 130.2 45.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.823 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.8 pp -122.07 -33.26 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.484 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.4 p -110.3 164.17 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.008 0.432 . . . . 0.0 111.263 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.15 -12.54 10.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.041 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.4 t 177.05 178.62 0.25 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.906 0.384 . . . . 0.0 110.697 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -51.6 -44.3 62.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -68.33 -19.96 64.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.62 -30.51 39.71 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.634 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.2 m -74.56 144.91 81.42 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.948 0.404 . . . . 0.0 111.25 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 33' ' ' VAL . 98.5 Cg_endo -82.7 -178.31 3.86 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.278 1.986 . . . . 0.0 113.08 -179.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 47.4 -90.21 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.52 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 31' ' ' PRO . 14.8 p -161.35 26.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.149 0.5 . . . . 0.0 110.515 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -84.22 144.15 29.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.07 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -89.65 147.74 23.72 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.061 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.1 t -99.42 103.38 15.16 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.0 0.429 . . . . 0.0 110.581 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.52 -174.62 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.149 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -116.81 116.92 28.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.809 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -58.65 -65.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.88 -35.66 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.553 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.54 -43.94 89.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.14 47.71 0.17 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.495 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -145.5 151.5 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.0 mmt -90.01 110.75 21.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.2 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.57 169.96 11.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.9 m -96.4 143.98 26.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.16 0.505 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.6 t -140.56 -177.12 4.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.3 m -81.94 136.94 46.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.27 134.38 26.77 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.507 2.138 . . . . 0.0 112.27 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.5 p -105.53 134.64 19.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.486 2.124 . . . . 1.0 112.312 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.843 0.354 . . . . 1.0 111.177 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 63.67 126.18 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.986 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -104.19 -66.34 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -141.47 -65.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.78 -133.69 8.15 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.347 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -150.17 -166.25 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.934 0.397 . . . . 0.0 110.749 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t -71.65 136.73 83.15 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.37 144.61 51.28 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.42 2.08 . . . . 0.0 112.256 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -111.38 179.37 4.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.995 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.8 ttt 64.43 15.51 9.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.291 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 p -50.77 178.41 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.403 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.32 143.22 38.81 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.767 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.65 106.09 1.21 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.491 2.127 . . . . 0.0 112.321 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.405 ' CG2' ' HD2' ' A' ' 15' ' ' PRO . 31.1 mm -99.76 136.65 20.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.055 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.405 ' HD2' ' CG2' ' A' ' 14' ' ' ILE . 57.8 Cg_endo -71.09 146.58 52.4 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.375 2.05 . . . . 0.0 112.321 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.05 -26.74 42.5 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.505 2.136 . . . . 0.0 112.325 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tp -87.22 128.02 35.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.09 -36.58 4.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.64 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.455 HD11 HG23 ' A' ' 19' ' ' ILE . 19.3 mt -154.62 107.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.782 0.325 . . . . 0.0 111.08 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -172.92 99.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -176.37 121.63 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 t -75.34 122.06 23.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.61 -28.94 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.366 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.4 159.87 17.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.0 0.428 . . . . 0.0 111.285 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -112.78 -13.22 13.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.976 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.33 -177.52 0.18 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.116 0.484 . . . . 0.0 110.813 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -51.47 -50.25 60.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.048 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.6 p -66.53 -18.63 65.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.795 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.9 -34.53 42.39 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.492 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 10.1 m -73.94 147.43 86.19 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.975 0.417 . . . . 0.0 111.232 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -84.17 -175.32 2.15 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.36 2.04 . . . . 0.0 113.21 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 45.08 -97.86 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.552 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -148.54 13.16 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-O 120.959 0.409 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 9.7 mt-30 -76.47 143.73 40.31 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.093 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 14.5 mptt -89.73 170.6 10.3 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.283 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.0 t -114.82 101.69 9.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.838 0.351 . . . . 0.0 110.625 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.36 -175.27 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.055 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.05 67.85 0.67 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.923 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -86.76 157.41 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.59 -136.65 26.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.563 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.7 p -59.2 -43.67 92.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.851 0.357 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.99 -142.67 9.02 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.42 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 60.4 162.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 mmt -89.85 91.2 8.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.3 p -108.45 171.81 7.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 95.1 m -93.64 145.62 24.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.021 0.438 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -140.55 -174.24 3.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.824 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.4 m -81.7 137.84 47.43 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.776 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.32 126.86 13.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.467 2.111 . . . . 0.0 112.364 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.5 t -139.58 103.13 7.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.45 2.1 . . . . 1.0 112.288 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.852 0.358 . . . . 1.0 111.193 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 60.41 85.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.797 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.99 -54.1 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.7 m -147.54 -70.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.95 -134.4 7.59 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.99 -163.79 1.86 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.905 0.383 . . . . 0.0 110.72 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.09 135.75 76.59 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.92 -44.19 2.11 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.412 2.075 . . . . 0.0 112.473 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.12 -170.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 59.4 -170.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.03 151.7 0.13 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.427 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.12 91.13 2.68 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -63.04 74.63 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.677 2.251 . . . . 0.0 112.157 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.9 mm -140.3 91.01 10.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -46.09 103.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.751 2.301 . . . . 0.0 112.575 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -84.08 48.4 2.51 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.737 2.291 . . . . 0.0 112.504 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tp -81.59 -37.87 26.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.01 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.71 19.26 16.34 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.675 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.8 mp -130.5 78.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.872 0.368 . . . . 0.0 111.092 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m -123.33 40.05 3.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -149.76 161.35 42.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 t -87.52 165.91 15.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.49 -45.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.5 p -101.27 158.6 15.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.124 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -112.39 -14.24 13.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.959 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.54 -177.33 0.14 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.135 0.493 . . . . 0.0 110.85 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -49.57 -53.9 21.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -19.46 64.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.82 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.78 -36.26 48.33 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.611 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 7.8 m -79.55 140.8 55.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.755 0.312 . . . . 0.0 111.175 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 3.0 Cg_exo -74.67 -174.71 1.97 Allowed 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.354 2.036 . . . . 0.0 113.151 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 46.95 -95.71 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.505 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -154.92 20.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.183 0.516 . . . . 0.0 110.594 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.415 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 14.5 mt-30 -82.16 143.0 31.74 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 7.0 mptt -89.69 172.4 8.96 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.4 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.5 t -113.7 102.17 10.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.16 -175.64 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -87.36 -114.98 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.746 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m120 64.94 130.77 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.839 0.352 . . . . 0.0 110.954 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.7 -145.01 19.22 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.463 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.9 t -101.06 -31.17 11.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.24 149.53 50.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -74.12 -65.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.6 mmt -127.88 92.17 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.6 p -114.28 178.09 4.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 89.2 m -87.47 146.29 25.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.74 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.45 176.57 8.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.958 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.3 m -81.47 133.97 52.15 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.864 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.2 125.4 10.8 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.467 2.112 . . . . 0.0 112.294 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.6 p -106.2 138.96 19.85 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo . . . . . 0 C--O 1.249 1.071 0 C-N-CA 122.496 2.131 . . . . 1.0 112.34 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.755 0.312 . . . . 1.0 111.25 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 168.06 42.67 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.71 -70.6 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.1 t -141.65 -56.01 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.716 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.38 -133.85 8.26 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.229 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.09 -170.47 3.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.162 0.506 . . . . 0.0 110.719 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.0 t -86.25 138.11 34.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.681 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -77.67 172.93 14.93 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.541 2.161 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -103.72 166.56 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.5 mtm -71.21 167.51 19.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.46 -35.9 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.765 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 43.5 mtt -125.03 110.6 27.15 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.29 156.41 65.79 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.435 2.09 . . . . 0.0 112.295 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.3 mt -128.31 136.32 28.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.59 110.43 1.86 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.492 2.128 . . . . 0.0 112.328 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.54 -11.28 29.56 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.483 2.122 . . . . 0.0 112.538 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.25 -63.49 1.28 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.836 0.35 . . . . 0.0 111.163 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.05 19.05 56.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.835 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.0 mt -150.74 103.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.727 0.299 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -159.6 -171.11 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.068 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 tttt 75.44 141.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 t -74.59 168.36 19.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.61 -47.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.9 p -113.0 164.22 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.201 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.51 -17.35 12.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.87 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.26 177.9 1.79 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.025 0.44 . . . . 0.0 110.776 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -53.7 -46.87 70.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.5 p -62.62 -23.0 66.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.675 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.0 -32.14 40.88 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.417 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 m -68.84 144.1 95.48 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.895 0.379 . . . . 0.0 111.237 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' VAL . 78.1 Cg_endo -81.39 179.85 5.51 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.152 1.901 . . . . 0.0 112.974 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 46.59 -89.46 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.609 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.421 ' N ' ' O ' ' A' ' 31' ' ' PRO . 14.9 p -162.29 28.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.26 0.553 . . . . 0.0 110.414 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -83.96 146.5 27.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.19 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.53 147.4 23.99 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.842 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.9 t -99.32 90.67 4.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.103 0.477 . . . . 0.0 110.326 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.75 -174.13 2.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.008 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.76 96.69 7.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.775 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.06 -60.3 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.73 -150.0 2.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.565 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.2 p -64.26 78.26 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.794 0.331 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.77 -146.28 42.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.274 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 55.14 -176.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 111.003 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.23 107.5 14.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.7 p -116.86 170.19 8.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.4 m -90.84 141.82 28.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.317 0.58 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 t -140.6 178.97 6.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.755 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.9 m -70.83 130.67 88.26 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.69 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.96 133.83 26.11 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.442 2.095 . . . . 0.0 112.251 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 t -95.46 126.52 45.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo . . . . . 0 C--O 1.249 1.032 0 C-N-CA 122.466 2.111 . . . . 1.0 112.306 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.811 0.339 . . . . 1.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 60.77 109.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -102.37 -60.13 1.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.5 p -151.47 -60.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.61 -133.81 7.83 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.406 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.25 -164.12 1.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.934 0.397 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.6 t -89.81 138.15 28.05 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -82.66 156.02 15.95 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.605 2.203 . . . . 0.0 112.368 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -151.41 116.36 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.1 mtm -137.3 -79.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m 57.34 22.11 7.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -57.6 0.66 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.139 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -75.1 -166.68 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.458 2.105 . . . . 0.0 112.493 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mp -51.06 112.46 3.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.298 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -51.87 130.96 36.44 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.488 2.125 . . . . 0.0 112.259 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -86.98 37.2 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.734 2.29 . . . . 0.0 112.681 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tp -61.36 143.5 55.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 126.87 -11.79 6.94 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.824 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -97.34 80.41 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-O 120.851 0.357 . . . . 0.0 110.802 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.1 m -91.98 -164.45 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 72.85 133.17 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.998 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.8 t -75.6 -178.36 4.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.782 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.7 -42.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.0 p -123.49 162.14 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 111.441 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -114.63 -14.13 12.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.75 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.78 177.92 1.04 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 120.966 0.413 . . . . 0.0 110.793 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -52.32 -44.18 64.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.4 m -69.22 -19.59 63.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.676 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.43 -38.62 37.96 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.521 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 6.0 m -69.9 147.8 96.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.95 0.405 . . . . 0.0 111.304 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -82.22 -178.57 4.13 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.27 1.98 . . . . 0.0 113.077 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 43.95 -93.43 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.674 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 m -147.64 5.01 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-O 120.842 0.353 . . . . 0.0 111.072 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 32.4 mt-30 -61.46 141.37 57.73 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 14.1 mptt -89.81 168.47 12.05 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.927 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.0 t -112.92 99.33 7.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.91 0.386 . . . . 0.0 110.656 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.87 -174.8 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.958 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.91 89.59 3.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -122.84 153.07 40.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.2 -126.28 7.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.28 -64.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.367 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.7 -158.21 30.94 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 60.56 178.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.699 0.285 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.56 104.08 15.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.226 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.3 p -120.31 176.76 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.721 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 65.3 m -83.22 147.31 28.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.113 0.482 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 t -140.44 167.2 22.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.6 m -77.54 114.9 45.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.691 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.2 131.98 37.41 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.365 2.043 . . . . 0.0 112.38 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p -106.65 133.02 20.44 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.444 2.096 . . . . 0.0 112.286 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.875 0.369 . . . . 1.0 111.211 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 62.76 148.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.64 -64.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.1 m -145.67 -65.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.27 -133.91 8.28 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.398 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.13 -163.49 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.991 0.424 . . . . 0.0 110.974 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.7 t -88.01 138.36 30.99 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.688 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.83 164.79 28.17 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.471 2.114 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.75 -160.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.77 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 76.48 -67.99 0.2 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.062 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.42 -166.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.758 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.6 ttt -176.53 100.59 0.24 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.9 119.63 6.54 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.435 2.09 . . . . 0.0 112.358 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.428 HG23 HD11 ' A' ' 14' ' ' ILE . 29.8 mt -149.18 136.76 11.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.024 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.406 ' HD2' ' CG2' ' A' ' 14' ' ' ILE . 23.5 Cg_endo -61.63 143.74 96.96 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.405 2.07 . . . . 0.0 112.088 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -82.55 8.47 4.53 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.682 2.255 . . . . 0.0 113.094 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tt -90.76 95.29 10.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.342 . . . . 0.0 110.982 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.93 23.55 8.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.854 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.9 mm -109.06 -130.47 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.1 m -117.04 -172.8 2.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.893 0.378 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -112.92 148.04 35.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 t -55.23 152.6 7.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.66 -47.51 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 p -105.67 163.29 12.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.257 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -111.88 -16.78 13.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.019 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.95 -177.57 0.15 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.154 0.502 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -50.22 -52.29 37.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 p -65.92 -17.92 64.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.04 -29.49 46.15 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.62 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.1 m -75.57 143.12 75.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 120.884 0.373 . . . . 0.0 111.424 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_exo -71.69 174.87 10.4 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.381 2.054 . . . . 0.0 112.983 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 47.74 -91.72 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.565 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.9 p -158.85 22.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.126 0.489 . . . . 0.0 110.709 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -77.2 145.76 37.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -89.63 150.12 22.52 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.113 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.4 t -99.58 95.13 6.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.005 0.431 . . . . 0.0 110.875 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.39 -174.34 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.832 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -99.25 64.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.722 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -117.28 -38.92 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.05 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.97 -111.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.532 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 5.3 t -92.04 -52.65 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.748 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.42 176.77 43.96 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.682 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 62.97 -92.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.411 0.148 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.12 94.0 2.08 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.757 0.313 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.9 p -110.32 167.47 10.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 76.2 m -93.6 140.92 29.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.186 0.517 . . . . 0.0 111.079 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.2 t -140.69 -172.16 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.6 m -82.97 138.6 42.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.9 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.54 136.66 34.14 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.587 2.192 . . . . 0.0 112.267 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.6 p -99.85 135.78 20.39 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.515 2.143 . . . . 0.0 112.346 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.3 p30 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.794 0.33 . . . . 1.0 111.202 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 62.45 118.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -90.24 -64.0 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -138.43 -72.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.95 -131.61 4.57 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.521 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 p -149.93 -165.33 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.812 0.339 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.5 t -78.98 139.72 57.38 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.704 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -82.87 164.66 15.66 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.538 2.159 . . . . 0.0 112.309 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -119.75 -50.52 2.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.423 ' O ' ' N ' ' A' ' 12' ' ' MET . 23.7 ptm 44.72 29.48 0.43 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.521 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 p 50.4 -88.48 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.454 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 10' ' ' MET . 24.6 ttt -73.49 114.82 35.37 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.32 -159.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.405 2.07 . . . . 0.0 112.172 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.2 tt -107.65 138.42 19.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -48.49 105.4 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.545 2.163 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -73.98 46.62 1.34 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.933 2.422 . . . . 0.0 112.675 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 tt -84.48 -31.45 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.927 0.394 . . . . 0.0 110.863 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.73 19.78 2.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.686 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.2 mm -121.66 77.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.1 t -148.48 83.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.92 110.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.4 t -60.12 121.2 11.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 pp -113.59 -27.01 8.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.322 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 22.6 p -115.94 173.47 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 111.221 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -115.67 -19.63 10.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.198 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t 179.56 178.29 0.54 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.986 0.422 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -43.1 -59.59 1.98 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.579 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -20.42 52.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.53 -54.54 12.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.804 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 1.4 m -60.02 143.21 88.37 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 120.879 0.371 . . . . 0.0 111.153 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 12.5 Cg_exo -70.27 -175.98 1.47 Allowed 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.4 2.067 . . . . 0.0 113.186 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 48.29 -99.37 0.05 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.468 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 m -154.11 24.9 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-O 121.081 0.467 . . . . 0.0 110.229 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -83.45 142.8 30.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.334 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 0.0 OUTLIER -89.74 172.66 8.76 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.28 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.4 m -114.24 110.62 20.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.867 0.365 . . . . 0.0 110.978 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -135.73 -175.15 3.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -96.44 40.83 1.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -83.89 71.54 10.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.5 100.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.524 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.6 t 61.58 -81.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.702 0.287 . . . . 0.0 110.992 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.13 77.32 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.513 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -164.12 175.7 9.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.755 0.312 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.2 mmt -90.27 90.21 7.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.9 p -115.04 168.3 10.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 81.8 m -75.48 138.85 41.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.181 0.515 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 t -137.25 153.71 50.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.3 m -59.54 125.94 81.08 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.045 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.27 123.87 12.89 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.588 2.192 . . . . 0.0 112.213 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.4 t -140.39 118.98 8.42 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.014 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo . . . . . 0 C--O 1.248 1.018 0 C-N-CA 122.432 2.088 . . . . 1.0 112.318 -179.914 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.81 0.338 . . . . 1.0 111.258 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 166.86 150.09 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -93.58 -54.23 3.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -153.87 -63.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.285 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.55 -133.74 8.22 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.658 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.05 -164.93 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.875 0.369 . . . . 0.0 110.649 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.9 t -77.88 141.0 63.15 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.809 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -68.82 -163.89 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.458 2.106 . . . . 0.0 112.223 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -168.82 80.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.678 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.1 ptm -97.24 -12.09 23.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.54 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.9 m 58.42 -157.42 0.31 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.639 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 tpp 76.09 111.04 0.03 OUTLIER Pre-proline 0 N--CA 1.463 0.176 0 CA-C-O 120.673 0.273 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -52.32 176.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.56 2.173 . . . . 0.0 112.538 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.422 ' CG2' ' HD2' ' A' ' 15' ' ' PRO . 31.6 mm -142.21 137.54 15.82 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.422 ' HD2' ' CG2' ' A' ' 14' ' ' ILE . 40.8 Cg_endo -66.95 159.17 53.11 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.382 2.055 . . . . 0.0 112.011 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -88.68 25.61 0.62 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.752 2.301 . . . . 0.0 112.432 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.7 tp -52.58 -66.05 0.45 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.66 35.62 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.613 -0.804 . . . . 0.0 112.665 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.441 ' O ' ' CG1' ' A' ' 19' ' ' ILE . 5.5 tt -79.21 3.96 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 120.837 0.351 . . . . 0.0 111.528 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -160.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.735 0.303 . . . . 0.0 111.045 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.1 118.39 0.06 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.428 ' HB ' ' CD1' ' A' ' 43' ' ' PHE . 7.4 t -91.3 -176.09 4.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -164.05 -42.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.2 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 p -104.85 158.45 16.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.027 0.442 . . . . 0.0 111.349 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.01 -10.57 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.914 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.49 -177.84 0.15 Allowed 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.037 0.446 . . . . 0.0 110.674 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.79 -49.24 63.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -67.26 -18.58 65.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.13 -36.51 40.27 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.3 m -73.91 146.58 85.37 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.982 0.42 . . . . 0.0 111.241 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.99 -175.24 2.15 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.285 1.99 . . . . 0.0 113.07 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 46.73 -91.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.482 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.9 p -159.41 25.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.12 0.486 . . . . 0.0 110.565 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -85.82 146.92 26.54 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 12.0 mptt -89.6 170.4 10.51 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.926 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t -113.43 98.26 6.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.842 0.353 . . . . 0.0 110.8 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.78 -175.07 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.13 -160.79 0.7 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.846 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.4 p30 -169.85 -173.09 1.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.49 67.73 3.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.756 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 t -178.46 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.739 0.304 . . . . 0.0 110.995 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.19 57.05 0.3 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.696 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.428 ' CD1' ' HB ' ' A' ' 22' ' ' THR . 1.4 m-85 -143.09 -174.5 4.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.67 0.271 . . . . 0.0 110.821 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.9 mmt -116.25 99.32 7.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.971 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.8 p -114.06 173.41 6.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 66.9 m -90.16 148.4 22.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.211 0.529 . . . . 0.0 111.171 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.54 -177.79 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.864 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.1 m -89.48 138.42 28.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.627 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.77 118.26 5.58 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.447 2.098 . . . . 0.0 112.442 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.1 p -103.32 135.96 19.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.865 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.386 2.057 . . . . 1.0 112.354 -179.821 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.813 0.34 . . . . 1.0 111.155 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 63.5 125.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.02 -54.03 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 p -149.57 -62.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.99 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.96 -133.6 8.17 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.55 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.89 -164.82 2.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.956 0.408 . . . . 0.0 110.783 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -80.56 141.53 52.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.62 -57.19 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.594 2.196 . . . . 0.0 112.238 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 66.88 45.3 1.88 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.807 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -113.4 -77.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 167.27 157.07 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.872 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.27 155.79 32.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.28 148.0 60.76 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.523 2.149 . . . . 0.0 112.363 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.1 mt -137.03 117.98 10.91 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.066 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.26 151.04 66.02 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.427 2.085 . . . . 0.0 112.358 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.28 -26.3 25.26 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.6 2.2 . . . . 0.0 112.233 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tp -76.51 83.54 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.796 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.05 141.81 8.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.407 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.4 mp -94.13 -127.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.6 m -117.03 165.36 13.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -177.84 137.28 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.2 t -58.57 164.36 2.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.53 -45.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.268 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.1 p -107.45 170.9 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 111.209 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -111.39 -22.46 11.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.817 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.09 178.79 1.08 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -44.53 -59.21 2.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -60.23 -20.41 58.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.71 -54.25 26.64 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.475 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -59.99 149.24 74.74 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 120.922 0.391 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.66 179.4 6.55 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.206 1.938 . . . . 0.0 113.32 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 52.99 -88.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.373 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 p -166.29 29.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.13 0.49 . . . . 0.0 110.299 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -85.32 142.65 29.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.317 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.1 mptt -89.67 168.9 11.76 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.093 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.9 m -112.11 114.87 27.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.16 -176.04 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.51 74.56 1.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.832 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -104.34 101.08 10.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.87 -140.39 16.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.57 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 p -92.13 14.15 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.591 0.234 . . . . 0.0 111.378 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.96 174.15 32.54 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.536 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -111.09 -52.65 2.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 110.682 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.7 mmt -149.94 85.63 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.0 p -109.75 165.9 11.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.0 m -76.87 137.68 39.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.123 0.487 . . . . 0.0 110.987 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.7 t -139.98 148.37 41.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.76 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.0 m -58.51 129.72 84.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.06 127.26 14.11 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.412 2.075 . . . . 0.0 112.236 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.2 p -106.81 135.63 19.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 C--O 1.25 1.081 0 C-N-CA 122.459 2.106 . . . . 1.0 112.225 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.802 0.334 . . . . 1.0 111.113 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 172.78 154.9 0.09 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.798 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.31 -54.17 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -154.41 -70.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.63 -134.18 8.18 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.26 -166.82 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.09 0.471 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.2 t -83.62 140.05 41.09 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.698 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.9 167.04 25.76 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.386 2.057 . . . . 0.0 112.264 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.95 29.93 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 42.7 tpp -137.66 -76.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 t 52.52 -172.58 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.416 ' CB ' ' HD3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -179.87 -52.58 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.845 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.416 ' HD3' ' CB ' ' A' ' 12' ' ' MET . 30.0 Cg_exo -61.72 130.87 32.95 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.458 2.105 . . . . 0.0 112.135 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.3 tt -128.37 112.19 19.59 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.148 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -51.27 106.65 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.45 2.1 . . . . 0.0 112.346 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.87 -21.09 33.46 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.497 2.131 . . . . 0.0 112.448 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.96 -65.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.021 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.86 106.0 0.73 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.6 mt -96.69 23.4 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.649 0.262 . . . . 0.0 111.285 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.9 m -156.34 29.65 0.34 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.024 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.4 105.49 12.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.796 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.3 t -68.46 -177.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -162.13 -61.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.317 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.9 p -96.05 164.67 12.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.942 0.401 . . . . 0.0 111.23 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -117.34 -12.02 10.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.17 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 t 176.78 178.64 0.23 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.924 0.392 . . . . 0.0 110.685 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -51.21 -46.15 62.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m -66.49 -20.84 66.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.653 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.15 -44.89 42.9 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.409 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.5 m -70.91 137.76 85.14 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.919 0.39 . . . . 0.0 111.002 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.73 -170.2 0.69 Allowed 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.161 1.908 . . . . 0.0 113.283 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 52.71 -90.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.31 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.8 p -161.77 24.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.989 0.423 . . . . 0.0 110.729 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.433 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 17.9 mt-30 -91.35 145.7 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.335 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 11.0 mptt -89.65 176.23 6.95 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.299 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.1 t -123.4 103.29 8.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.17 -174.87 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.979 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 -162.44 0.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.839 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -179.53 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.759 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 175.16 173.16 40.71 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.359 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 t 61.57 -80.53 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.716 0.293 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' GLY . . . 159.92 80.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.407 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -163.54 -175.08 4.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 0.0 111.031 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.2 ttt -133.02 104.87 6.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.717 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.56 175.68 5.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 95.8 m -85.85 146.69 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.023 0.439 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.1 t -140.56 174.47 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.231 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.4 m -87.32 123.43 69.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.42 138.29 65.33 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.45 2.1 . . . . 0.0 112.55 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.5 t -123.64 138.11 29.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.269 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo . . . . . 0 C--O 1.249 1.04 0 C-N-CA 122.472 2.115 . . . . 1.0 112.243 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.763 0.316 . . . . 1.0 111.168 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -43.08 101.82 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.614 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.93 -67.95 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.7 p -140.11 -62.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -108.31 -134.3 7.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.407 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.03 -164.43 2.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.842 0.353 . . . . 0.0 110.822 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -80.13 139.74 52.99 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -56.93 -161.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.482 2.121 . . . . 0.0 112.151 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -140.64 -47.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.029 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.6 mtp -112.41 -30.34 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.094 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m 62.78 118.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.405 ' CB ' ' CD ' ' A' ' 13' ' ' PRO . 1.7 mtm -75.61 -61.0 0.98 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 12' ' ' MET . 66.8 Cg_endo -74.02 136.12 22.12 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.555 2.17 . . . . 0.0 112.567 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.1 mp -139.28 80.78 22.17 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.032 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.46 127.18 14.46 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.647 2.231 . . . . 0.0 112.343 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.01 -27.75 9.73 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.487 2.125 . . . . 0.0 112.26 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.51 119.39 6.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.03 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.28 118.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.455 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.2 mp -92.05 -126.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.21 117.69 4.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.864 0.364 . . . . 0.0 111.003 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.19 84.46 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.7 t -59.03 111.27 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 pp -114.48 -24.43 8.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.387 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.5 p -119.92 162.66 18.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.938 0.399 . . . . 0.0 111.18 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -115.47 -14.25 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.189 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t 178.05 178.91 0.34 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.045 0.45 . . . . 0.0 110.825 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -49.76 -47.77 50.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -63.76 -21.95 66.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.635 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.92 -40.25 44.49 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.439 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.0 m -76.99 143.04 69.9 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.906 0.384 . . . . 0.0 111.053 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -86.38 -171.61 0.86 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.398 2.066 . . . . 0.0 113.346 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 49.19 -93.9 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.439 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.8 p -155.98 20.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.04 0.448 . . . . 0.0 110.677 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.419 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 14.2 mt-30 -84.43 142.06 30.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 11.3 mptt -89.54 173.11 8.51 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.117 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.3 t -109.43 87.7 2.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.835 0.35 . . . . 0.0 111.05 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.52 -176.39 4.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.657 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.03 -161.07 1.09 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.493 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -143.15 -45.81 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.77 0.319 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.12 -94.97 0.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.941 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.0 p -56.98 -178.45 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.988 0.423 . . . . 0.0 111.463 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.82 -140.15 0.03 OUTLIER Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.561 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 61.4 -179.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 110.706 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.1 mtt -150.23 119.82 6.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 111.369 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.0 p -121.45 174.6 6.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.469 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 86.9 m -80.79 145.27 31.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.115 0.483 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.44 178.87 7.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.954 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.3 m -83.82 135.07 43.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.4 129.0 15.23 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.438 2.092 . . . . 0.0 112.274 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.8 p -103.18 136.2 19.27 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.03 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--O 1.248 1.023 0 C-N-CA 122.418 2.079 . . . . 1.0 112.331 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . 0.478 ' O ' ' CG ' ' A' ' 2' ' ' GLU . 26.8 p30 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.517 0.198 . . . . 1.0 111.202 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 1' ' ' ASN . 3.2 pt-20 55.75 148.58 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.521 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.08 -52.0 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.91 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.1 m -144.94 -74.66 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.28 -132.81 6.35 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 p -150.08 -174.76 4.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.005 0.431 . . . . 0.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.3 t -75.91 137.9 69.48 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.788 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.27 166.81 23.99 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.364 2.043 . . . . 0.0 112.206 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.83 -176.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.0 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -67.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.02 24.4 4.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.301 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 mtt 177.48 145.55 0.29 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.758 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.83 168.91 23.35 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.477 2.118 . . . . 0.0 112.358 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.4 tt -81.29 112.03 29.73 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.4 110.81 2.78 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.418 2.079 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.36 -27.58 4.2 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.601 2.201 . . . . 0.0 112.433 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.0 171.07 15.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.62 -89.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.633 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 5.2 mt 51.38 102.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.873 0.368 . . . . 0.0 111.199 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.5 m 56.51 166.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.287 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -132.15 171.14 14.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 t -62.86 -179.81 0.31 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.9 -43.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.83 159.08 15.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.018 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -111.7 -14.59 13.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.006 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.1 t 178.48 179.65 0.35 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.04 0.448 . . . . 0.0 110.874 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -49.04 -52.06 27.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.068 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 p -62.63 -20.66 65.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.787 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.03 -35.25 44.84 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.438 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 m -76.41 148.0 79.78 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.885 0.374 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -82.06 -176.13 2.86 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 122.283 1.989 . . . . 0.0 113.254 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 46.42 -97.94 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.537 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -150.16 16.8 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-O 121.055 0.455 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -79.94 143.5 34.14 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.166 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 10.6 mptt -89.56 174.05 7.98 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.258 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.7 t -112.96 98.25 7.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.758 0.313 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -135.05 -175.03 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -101.05 77.5 1.83 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -148.59 145.87 28.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.21 -68.0 0.24 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.591 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -145.72 45.27 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.33 -178.48 2.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.9 m-85 60.46 -176.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.9 mmt -89.87 88.89 7.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.6 p -109.59 -176.61 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.801 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 84.1 m -90.49 146.13 24.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.815 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.41 179.04 6.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.063 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.4 m -89.75 135.14 30.92 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.661 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 70.5 Cg_endo -74.51 131.5 14.99 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.424 2.083 . . . . 0.0 112.479 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.3 p -108.84 136.1 20.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.068 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo . . . . . 0 C--O 1.25 1.086 0 C-N-CA 122.486 2.124 . . . . 1.0 112.31 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.0 m120 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.82 0.343 . . . . 1.0 111.162 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 60.6 103.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.63 -59.4 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.17 -60.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.22 -134.39 7.52 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.464 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.09 -163.99 1.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.915 0.388 . . . . 0.0 110.772 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.8 t -77.21 138.31 64.54 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -82.75 153.97 15.28 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.513 2.142 . . . . 0.0 112.382 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.78 -64.52 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.6 mmt -119.1 128.51 54.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.1 t 166.26 171.72 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.664 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 62.89 86.62 0.14 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.44 -17.23 30.57 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.585 2.19 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mp -71.43 135.78 84.03 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.23 111.38 3.29 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.494 2.129 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -86.39 46.35 1.55 Allowed 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.688 2.259 . . . . 0.0 112.469 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.96 103.49 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.324 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.57 87.07 1.55 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.675 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -139.14 28.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.772 0.32 . . . . 0.0 110.867 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.25 177.51 8.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.125 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 tptp 65.43 119.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.9 t -57.18 177.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.54 -47.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.478 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.7 p -116.58 173.75 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 111.378 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -124.04 -4.68 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.221 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.6 t 172.6 171.25 0.12 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.023 0.44 . . . . 0.0 110.94 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -43.88 -59.35 2.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -21.36 49.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.701 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.27 -56.43 13.85 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.489 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 m -61.14 149.44 82.27 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-O 120.9 0.381 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -81.66 -172.85 1.58 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 122.356 2.038 . . . . 0.0 113.537 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 50.77 -100.55 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.8 m -153.52 21.33 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-O 120.945 0.402 . . . . 0.0 110.375 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 6.0 mt-30 -83.42 142.21 31.14 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.423 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 0.2 OUTLIER -89.69 176.1 6.99 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 -179.655 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 70.3 m -117.07 117.0 28.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.722 0.296 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -135.78 -176.43 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 41.48 1.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.139 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -90.07 54.93 2.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.71 -122.22 0.6 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.583 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 m -96.25 25.67 4.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.74 -23.16 37.21 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.508 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -75.91 -167.95 0.81 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.18 111.34 23.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.6 p -122.69 167.3 13.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.936 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.436 ' HB3' ' NE2' ' A' ' 34' ' ' GLN . 57.3 m -72.5 137.06 46.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.177 0.513 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 t -140.12 161.13 38.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.039 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.8 m -68.21 128.36 93.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.35 131.47 17.73 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.532 2.155 . . . . 0.0 112.375 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.6 p -109.28 135.85 20.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.025 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.248 0.986 0 C-N-CA 122.528 2.152 . . . . 1.0 112.239 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.912 0.387 . . . . 1.0 111.128 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 61.07 97.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.007 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -94.35 -69.07 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.43 -55.91 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.07 -134.11 7.47 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.36 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.04 -170.59 3.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.947 0.403 . . . . 0.0 110.571 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -83.8 135.01 43.32 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.788 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.69 -173.73 1.45 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.455 2.103 . . . . 0.0 112.407 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.45 -54.84 2.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.2 mtt -91.95 125.48 36.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.5 t 167.06 111.73 0.01 OUTLIER 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.696 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 mtp -144.11 88.4 7.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -51.97 176.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.514 2.143 . . . . 0.0 112.329 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mp -134.61 72.42 69.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.31 114.38 3.98 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.614 2.209 . . . . 0.0 112.256 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -83.07 44.06 1.59 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.644 2.229 . . . . 0.0 112.73 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 tp -114.36 -65.35 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.79 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.69 -120.73 1.72 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.294 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.6 mt -125.17 2.68 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.686 0.279 . . . . 0.0 111.562 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 171.66 151.54 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.759 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -161.89 120.56 2.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.438 ' HB ' ' CD1' ' A' ' 43' ' ' PHE . 7.3 t -68.25 -176.95 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mt -169.63 -57.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.276 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.0 p -108.62 170.94 7.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.154 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -113.0 -19.46 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.88 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.11 -177.71 0.17 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.122 0.487 . . . . 0.0 110.837 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -53.12 -41.28 64.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.8 m -70.47 -19.81 62.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.7 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.58 -33.82 33.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.551 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.2 m -75.55 140.47 71.88 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.944 0.402 . . . . 0.0 111.155 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -86.75 -173.09 1.08 Allowed 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 122.301 2.001 . . . . 0.0 113.234 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 50.82 -90.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.325 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.8 p -161.74 25.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.136 0.493 . . . . 0.0 110.681 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -88.06 141.88 28.22 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.41 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -89.75 152.82 21.12 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.886 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.9 t -99.68 95.77 7.18 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.94 0.4 . . . . 0.0 110.755 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.17 -175.33 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.961 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -164.57 1.06 Allowed 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.516 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -177.62 -50.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.75 -111.54 2.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.562 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.1 p -55.16 -26.95 42.13 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.776 0.322 . . . . 0.0 111.212 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.14 37.31 0.7 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.438 ' CD1' ' HB ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -87.33 -169.2 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.0 mmt -115.24 108.5 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.2 p -137.19 163.2 31.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.785 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.1 m -85.42 139.39 31.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.23 0.538 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.5 t -140.6 176.33 8.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.2 m -74.66 132.62 77.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.759 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.71 137.65 25.2 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.469 2.113 . . . . 0.0 112.295 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.3 p -108.25 137.55 19.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo . . . . . 0 C--O 1.249 1.065 0 C-N-CA 122.469 2.113 . . . . 1.0 112.278 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.807 0.337 . . . . 1.0 111.217 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 169.51 129.86 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.31 -65.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.781 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.66 -63.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.779 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.69 -135.03 6.55 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.315 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.27 -162.68 1.6 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.851 0.358 . . . . 0.0 110.734 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -66.03 137.99 96.07 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -56.92 -74.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.573 2.182 . . . . 0.0 112.248 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.28 30.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.37 -169.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.37 -175.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 62.97 58.22 2.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.88 121.18 7.39 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.556 2.171 . . . . 0.0 112.26 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.43 53.16 9.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.42 111.38 3.25 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.646 2.23 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -79.42 -44.48 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.521 2.147 . . . . 0.0 112.407 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.56 114.02 27.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.0 133.57 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.5 mm -97.45 29.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 111.199 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.429 ' HA ' ' CB ' ' A' ' 41' ' ' CYS . 2.5 t -176.76 49.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -141.39 118.51 11.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.841 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 t -52.16 163.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.92 -49.97 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.352 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.97 -178.62 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 111.305 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -99.74 -35.37 9.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.076 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.05 -174.78 2.12 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.288 0.566 . . . . 0.0 111.313 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -44.13 -54.66 5.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.661 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -66.91 -15.57 63.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.167 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.25 -41.61 25.81 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.83 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.61 142.96 96.53 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.846 0.355 . . . . 0.0 111.165 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_exo -71.37 -179.34 3.55 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.417 2.078 . . . . 0.0 113.105 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 46.76 -91.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.665 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 p -161.64 27.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.059 0.457 . . . . 0.0 110.369 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -86.29 144.46 27.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.18 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -93.28 156.1 17.02 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.392 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.71 96.47 7.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.899 0.38 . . . . 0.0 110.398 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.4 t -106.92 160.64 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.218 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -92.11 106.29 18.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.0 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -155.86 77.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.86 -108.83 0.31 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.429 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -97.58 26.24 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 111.169 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.23 21.51 62.54 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.801 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -109.7 -175.56 2.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.719 0.295 . . . . 0.0 110.799 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 mtt -111.87 106.53 15.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.208 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.4 t -112.59 159.85 18.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.682 179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 65.4 m -74.74 134.4 41.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.438 0.637 . . . . 0.0 111.352 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.8 t -140.61 164.66 29.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.672 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.4 m -64.25 127.95 92.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.69 130.89 18.91 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.441 2.094 . . . . 0.0 112.52 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.4 p -108.67 139.76 21.16 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.947 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--O 1.249 1.053 0 C-N-CA 122.428 2.085 . . . . 1.0 112.245 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.2 t30 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.827 0.346 . . . . 1.0 111.191 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 60.17 100.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -103.13 -68.21 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.24 -57.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.85 -134.85 6.72 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.381 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.25 -168.93 3.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.041 0.448 . . . . 0.0 110.64 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.7 t -90.16 140.54 27.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.733 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.18 170.81 3.61 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.412 2.075 . . . . 0.0 112.126 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.7 p30 -139.32 60.43 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 18.1 mtp -148.54 -174.51 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.71 137.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mtt -86.43 155.03 57.07 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.85 155.61 14.05 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.652 2.234 . . . . 0.0 112.239 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.7 tt -128.39 132.41 24.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.071 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.98 104.5 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.54 2.16 . . . . 0.0 112.496 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -83.93 47.75 2.36 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.66 2.24 . . . . 0.0 112.707 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.7 tp -75.82 80.71 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.836 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.92 106.36 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.411 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.6 mt -137.2 -130.99 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.6 p -91.12 -165.27 1.32 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.751 0.31 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -124.75 71.58 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.842 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.4 t 44.18 -167.81 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.664 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -173.57 -56.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.165 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.4 p -104.34 159.65 15.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -111.88 -14.29 13.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.044 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t 178.1 179.17 0.34 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.991 0.424 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -49.24 -48.98 45.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.013 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -64.53 -20.64 66.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.12 -42.98 41.62 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.7 m -71.65 141.21 84.79 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.946 0.403 . . . . 0.0 111.059 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -86.61 -172.08 0.92 Allowed 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 122.342 2.028 . . . . 0.0 113.373 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 51.04 -99.5 0.07 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.319 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -148.71 16.6 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 120.958 0.408 . . . . 0.0 110.752 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -84.92 141.96 30.02 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.17 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 9.7 mptt -89.79 174.77 7.53 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.335 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.0 t -113.48 96.51 5.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.901 0.381 . . . . 0.0 110.722 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.06 -173.95 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.06 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -95.55 32.33 1.83 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.033 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -120.11 73.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.6 -44.2 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.404 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 43.2 t -129.15 -78.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.72 0.295 . . . . 0.0 110.711 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.04 -39.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.62 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -94.9 -76.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.755 0.312 . . . . 0.0 111.033 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.15 88.33 1.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.01 -177.09 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 93.1 m -90.98 146.95 23.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.099 0.476 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 t -140.39 -175.85 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.981 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.1 m -85.33 136.69 37.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.17 128.69 13.23 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.571 2.18 . . . . 0.0 112.363 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.0 p -110.97 135.52 20.83 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.062 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.451 2.101 . . . . 0.0 112.317 179.925 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 10.7 t30 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.751 0.31 . . . . 1.0 111.237 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 60.56 110.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.31 -50.6 5.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.0 t -160.97 -70.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.67 -133.41 7.1 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.462 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.06 -164.16 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.957 0.408 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 t -87.53 140.08 31.77 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.814 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -59.36 166.12 8.13 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.366 2.044 . . . . 0.0 112.251 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.96 52.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -103.95 -168.9 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.2 t 61.43 176.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.423 ' CB ' ' HD3' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -179.47 -52.82 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.963 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.423 ' HD3' ' CB ' ' A' ' 12' ' ' MET . 35.3 Cg_exo -59.96 165.73 9.83 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.43 2.087 . . . . 0.0 112.156 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.6 mt -119.81 69.91 13.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.06 114.41 3.97 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.593 2.195 . . . . 0.0 112.358 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.87 -26.46 27.02 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.406 2.07 . . . . 0.0 112.297 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.57 141.08 56.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -58.36 -90.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.652 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 74.45 7.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.645 0.26 . . . . 0.0 111.623 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.6 p -159.87 177.87 10.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.764 0.316 . . . . 0.0 110.904 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -141.22 154.75 45.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.4 t -88.92 140.69 29.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.9 -39.74 1.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.333 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.9 p -110.31 172.12 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.401 . . . . 0.0 111.149 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.01 7.67 3.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.308 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t 169.49 170.92 0.05 OUTLIER 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.013 0.435 . . . . 0.0 110.819 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.58 -50.94 66.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.3 p -60.09 -23.08 63.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.49 -32.07 43.55 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.414 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.413 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 1.7 m -71.62 143.13 86.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.854 0.359 . . . . 0.0 111.205 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 7.4 Cg_exo -72.53 176.32 8.93 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 122.328 2.019 . . . . 0.0 112.85 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 45.5 -95.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.613 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.77 16.54 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 121.026 0.441 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.446 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 10.0 mt-30 -72.59 143.58 48.18 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.06 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -89.81 148.99 22.88 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.222 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.7 t -99.62 104.16 15.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.904 0.383 . . . . 0.0 110.75 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.31 -174.64 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -83.9 -9.93 58.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.446 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.32 -71.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -175.19 -64.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.42 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.2 p -60.19 -44.7 94.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.931 0.396 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.28 -162.76 30.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.432 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 59.69 -176.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.732 0.301 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -118.73 109.43 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.8 p -123.96 176.16 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.446 ' HB3' ' HB3' ' A' ' 34' ' ' GLN . 96.0 m -96.68 144.46 26.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.8 t -140.81 171.65 13.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.093 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.8 m -76.07 117.98 67.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.724 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -51.98 135.06 50.77 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.481 2.12 . . . . 0.0 112.567 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.0 p -108.19 136.05 19.86 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.451 2.101 . . . . 0.0 112.25 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.6 m120 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.777 0.323 . . . . 1.0 111.2 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 165.83 165.24 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.734 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -92.56 -57.64 2.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.9 m -150.6 -61.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.63 -133.55 8.07 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.572 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.03 -165.59 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.942 0.401 . . . . 0.0 110.82 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.9 t -84.68 139.59 37.89 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.764 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -60.17 163.86 13.65 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.459 2.106 . . . . 0.0 112.274 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -96.31 -39.95 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.805 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.2 -46.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -44.39 137.85 3.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.471 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -166.63 107.65 0.67 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.88 105.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.453 2.102 . . . . 0.0 112.233 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.3 tt -45.86 102.68 0.31 Allowed Pre-proline 0 CA--C 1.53 0.192 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.609 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -90.06 106.34 0.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.966 2.444 . . . . 0.0 112.527 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.38 -29.61 9.2 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.555 2.17 . . . . 0.0 112.425 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.8 tp -76.68 77.46 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.13 102.11 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.718 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.05 74.63 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-O 120.782 0.325 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.414 ' HA ' ' CB ' ' A' ' 41' ' ' CYS . 0.8 OUTLIER -177.86 -38.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.049 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.54 135.22 46.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.202 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.43 ' HB ' ' CD1' ' A' ' 43' ' ' PHE . 4.6 t -79.29 170.53 16.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.817 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -161.3 -43.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 p -108.71 164.88 11.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.941 0.401 . . . . 0.0 111.268 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -127.42 3.6 6.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.017 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t 169.01 173.17 0.04 OUTLIER 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.91 0.386 . . . . 0.0 110.493 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -53.39 -41.57 66.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.04 -21.3 64.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.569 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.8 -37.76 38.4 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.368 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 33.9 m -71.71 148.16 92.4 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-O 120.962 0.411 . . . . 0.0 111.169 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -84.13 -177.51 3.06 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.362 2.041 . . . . 0.0 113.454 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 42.84 -94.43 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.795 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -144.9 2.16 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 120.853 0.358 . . . . 0.0 111.064 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.418 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 3.4 mt-30 -61.92 140.35 58.31 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 13.7 mptt -91.42 169.07 11.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.36 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.7 t -114.45 101.0 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.846 0.355 . . . . 0.0 110.439 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.64 -174.85 3.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -112.86 57.84 0.66 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.756 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -67.1 136.44 55.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.89 -97.84 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.685 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.414 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER -57.26 173.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 0.0 111.065 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.1 51.56 0.95 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.37 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.43 ' CD1' ' HB ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -129.9 -168.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.744 0.307 . . . . 0.0 110.767 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 14.6 mmm -113.27 91.67 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.022 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.1 p -110.1 168.15 9.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.71 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 93.7 m -90.66 145.74 24.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.145 0.497 . . . . 0.0 111.149 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.8 t -140.51 -175.46 4.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.764 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.7 m -83.04 137.98 42.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.788 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.47 136.11 27.89 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.403 2.069 . . . . 0.0 112.318 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.8 t -103.85 103.64 38.28 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.266 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo . . . . . 0 C--O 1.248 1.02 0 C-N-CA 122.512 2.142 . . . . 0.0 112.329 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.9 t -144.85 -47.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.706 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.09 -134.2 4.85 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.24 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.01 -165.9 2.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.998 0.428 . . . . 0.0 110.707 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 t -85.86 137.71 35.6 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.971 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo . . . . . 0 C--N 1.346 0.413 0 C-N-CA 122.664 2.243 . . . . 0.0 112.424 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.708 0.289 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.2 p -104.31 162.24 13.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 111.07 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -114.25 -14.06 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.151 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.23 -177.78 0.24 Allowed 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.145 0.498 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.17 -52.56 43.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.4 p -64.58 -19.08 65.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.98 -35.42 44.53 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.1 m -74.67 145.7 82.26 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-O 120.868 0.366 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -82.95 -176.5 2.9 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.268 1.979 . . . . 0.0 113.16 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 49.35 -89.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.446 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.8 p -162.8 27.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.041 0.448 . . . . 0.0 110.506 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -88.25 144.14 26.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.295 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 7.1 mptt -89.82 150.81 22.08 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.079 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 20.3 t -99.63 104.34 16.1 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.948 0.404 . . . . 0.0 110.913 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.74 0.305 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.5 t -113.36 177.01 4.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.032 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 78.7 m -90.18 142.72 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.166 0.507 . . . . 0.0 111.105 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 t -140.37 176.9 8.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.824 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.0 m -78.6 133.86 62.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 58.6 Cg_endo -71.48 130.57 17.45 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.48 2.12 . . . . 0.0 112.301 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.102 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -152.87 -70.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.06 -133.01 5.95 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.547 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.507 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -149.99 -164.67 2.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.952 0.406 . . . . 0.0 110.713 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 53.5 t -83.25 129.81 59.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.951 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 21.3 Cg_exo . . . . . 0 C--N 1.347 0.473 0 C-N-CA 122.465 2.11 . . . . 0.0 112.321 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.919 0.39 . . . . 0.0 110.738 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.7 p -106.2 157.15 17.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.968 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -102.28 -21.43 14.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t 177.52 -179.55 0.24 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.648 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -51.0 -38.26 50.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.99 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.3 p -70.58 -21.29 62.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.711 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.81 -30.16 36.45 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.1 m -77.82 145.43 70.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.93 0.395 . . . . 0.0 111.193 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -81.91 -178.38 4.1 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.222 1.948 . . . . 0.0 113.25 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 47.34 -91.16 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.585 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.9 p -160.43 24.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.107 0.48 . . . . 0.0 110.509 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.402 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 33.5 mt-30 -81.74 140.25 34.39 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.206 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 5.4 mptt -89.71 150.72 22.19 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.343 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.4 t -99.48 99.66 10.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.891 0.377 . . . . 0.0 110.704 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.109 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 mtp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.901 0.382 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 p -116.33 167.7 10.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 34' ' ' GLN . 63.7 m -94.45 139.05 31.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.8 t -140.54 -179.84 6.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.4 m -75.22 135.39 73.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.787 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 66.9 Cg_endo -73.59 138.84 27.39 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.505 2.137 . . . . 0.0 112.411 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.552 ' O ' HG13 ' A' ' 50' ' ' VAL . 15.0 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.36 -61.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.62 -133.49 6.74 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.386 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.567 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -150.18 -166.0 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.102 0.477 . . . . 0.0 110.793 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.2 t -88.12 140.32 30.72 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.744 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo . . . . . 0 C--N 1.347 0.467 0 C-N-CA 122.452 2.101 . . . . 0.0 112.15 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.539 HD11 ' SG ' ' A' ' 46' ' ' CYS . 1.8 pp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.626 0.25 . . . . 0.0 111.484 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.4 p -110.3 164.17 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.008 0.432 . . . . 0.0 111.263 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.15 -12.54 10.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.041 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.4 t 177.05 178.62 0.25 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.906 0.384 . . . . 0.0 110.697 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -51.6 -44.3 62.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -68.33 -19.96 64.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.62 -30.51 39.71 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.634 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.2 m -74.56 144.91 81.42 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.948 0.404 . . . . 0.0 111.25 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 33' ' ' VAL . 98.5 Cg_endo -82.7 -178.31 3.86 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.278 1.986 . . . . 0.0 113.08 -179.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 47.4 -90.21 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.52 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.8 p -161.35 26.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.149 0.5 . . . . 0.0 110.515 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -84.22 144.15 29.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.07 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 6.1 mptt -89.65 147.74 23.72 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.061 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.1 t -99.42 103.38 15.16 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.0 0.429 . . . . 0.0 110.581 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.149 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.0 mmt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.895 0.379 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.417 HG22 ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -124.57 169.96 11.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.539 ' SG ' HD11 ' A' ' 23' ' ' LEU . 94.9 m -96.4 143.98 26.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.16 0.505 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.6 t -140.56 -177.12 4.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.3 m -81.94 136.94 46.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 56.5 Cg_endo -70.27 134.38 26.77 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.507 2.138 . . . . 0.0 112.27 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 6' ' ' SER . 14.5 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.823 0.344 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -141.47 -65.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.78 -133.69 8.15 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.347 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -150.17 -166.25 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.934 0.397 . . . . 0.0 110.749 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t -71.65 136.73 83.15 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.46 ' CD ' HG21 ' A' ' 47' ' ' THR . 55.6 Cg_endo . . . . . 0 C--N 1.346 0.405 0 C-N-CA 122.42 2.08 . . . . 0.0 112.256 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.676 0.274 . . . . 0.0 111.366 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.4 159.87 17.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.0 0.428 . . . . 0.0 111.285 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -112.78 -13.22 13.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.976 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.33 -177.52 0.18 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.116 0.484 . . . . 0.0 110.813 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -51.47 -50.25 60.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.048 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.6 p -66.53 -18.63 65.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.795 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.9 -34.53 42.39 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.492 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 10.1 m -73.94 147.43 86.19 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.975 0.417 . . . . 0.0 111.232 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -84.17 -175.32 2.15 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.36 2.04 . . . . 0.0 113.21 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 45.08 -97.86 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.552 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -148.54 13.16 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-O 120.959 0.409 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.411 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 28.3 mt-30 -76.47 143.73 40.31 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.093 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 14.5 mptt -89.73 170.6 10.3 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.283 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.0 t -114.82 101.69 9.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.838 0.351 . . . . 0.0 110.625 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.055 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.868 0.366 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.3 p -108.45 171.81 7.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 95.1 m -93.64 145.62 24.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.021 0.438 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.46 HG21 ' CD ' ' A' ' 8' ' ' PRO . 15.1 t -140.55 -174.24 3.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.824 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.4 m -81.7 137.84 47.43 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.776 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.32 126.86 13.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.467 2.111 . . . . 0.0 112.364 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.836 0.351 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.7 m -147.54 -70.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.95 -134.4 7.59 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.486 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -149.99 -163.79 1.86 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.905 0.383 . . . . 0.0 110.72 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.09 135.75 76.59 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--N 1.346 0.443 0 C-N-CA 122.412 2.075 . . . . 0.0 112.473 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.783 0.325 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.5 p -101.27 158.6 15.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.124 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -112.39 -14.24 13.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.959 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.54 -177.33 0.14 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.135 0.493 . . . . 0.0 110.85 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -49.57 -53.9 21.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -19.46 64.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.82 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.78 -36.26 48.33 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.611 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.479 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 7.8 m -79.55 140.8 55.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.755 0.312 . . . . 0.0 111.175 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 3.0 Cg_exo -74.67 -174.71 1.97 Allowed 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.354 2.036 . . . . 0.0 113.151 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 46.95 -95.71 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.505 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 33' ' ' VAL . 15.0 p -154.92 20.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.183 0.516 . . . . 0.0 110.594 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 30' ' ' CYS . 39.4 mt-30 -82.16 143.0 31.74 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 7.0 mptt -89.69 172.4 8.96 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.4 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.5 t -113.7 102.17 10.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.6 mmt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.847 0.356 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.6 p -114.28 178.09 4.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 89.2 m -87.47 146.29 25.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.74 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.45 176.57 8.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.958 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.3 m -81.47 133.97 52.15 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.864 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 60.5 Cg_endo -72.2 125.4 10.8 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.467 2.112 . . . . 0.0 112.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 6' ' ' SER . 10.6 p . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.1 t -141.65 -56.01 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.716 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.38 -133.85 8.26 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.229 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.09 -170.47 3.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.162 0.506 . . . . 0.0 110.719 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.0 t -86.25 138.11 34.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.681 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.57 ' HA ' HG21 ' A' ' 50' ' ' VAL . 73.8 Cg_endo . . . . . 0 C--N 1.345 0.388 0 C-N-CA 122.541 2.161 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.748 0.309 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.9 p -113.0 164.22 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.201 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.51 -17.35 12.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.87 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.26 177.9 1.79 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.025 0.44 . . . . 0.0 110.776 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -53.7 -46.87 70.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.5 p -62.62 -23.0 66.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.675 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.0 -32.14 40.88 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.417 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 m -68.84 144.1 95.48 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.895 0.379 . . . . 0.0 111.237 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' VAL . 78.1 Cg_endo -81.39 179.85 5.51 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.152 1.901 . . . . 0.0 112.974 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 46.59 -89.46 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.609 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.9 p -162.29 28.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.26 0.553 . . . . 0.0 110.414 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -83.96 146.5 27.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.19 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.53 147.4 23.99 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.842 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.9 t -99.32 90.67 4.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.103 0.477 . . . . 0.0 110.326 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.008 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.743 0.306 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.7 p -116.86 170.19 8.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.4 m -90.84 141.82 28.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.317 0.58 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 t -140.6 178.97 6.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.755 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.9 m -70.83 130.67 88.26 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.69 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.434 ' HG3' HG13 ' A' ' 33' ' ' VAL . 54.2 Cg_endo -69.96 133.83 26.11 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.442 2.095 . . . . 0.0 112.251 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.57 HG21 ' HA ' ' A' ' 8' ' ' PRO . 3.4 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.5 p -151.47 -60.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.61 -133.81 7.83 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.406 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.25 -164.12 1.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.934 0.397 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.6 t -89.81 138.15 28.05 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo . . . . . 0 N--CA 1.461 -0.43 0 C-N-CA 122.605 2.203 . . . . 0.0 112.368 179.907 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.674 0.273 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.0 p -123.49 162.14 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 111.441 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -114.63 -14.13 12.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.75 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.78 177.92 1.04 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 120.966 0.413 . . . . 0.0 110.793 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -52.32 -44.18 64.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.4 m -69.22 -19.59 63.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.676 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.43 -38.62 37.96 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.521 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 6.0 m -69.9 147.8 96.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.95 0.405 . . . . 0.0 111.304 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -82.22 -178.57 4.13 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.27 1.98 . . . . 0.0 113.077 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 43.95 -93.43 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.674 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 m -147.64 5.01 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-O 120.842 0.353 . . . . 0.0 111.072 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 32.4 mt-30 -61.46 141.37 57.73 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 14.1 mptt -89.81 168.47 12.05 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.927 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.0 t -112.92 99.33 7.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.91 0.386 . . . . 0.0 110.656 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.958 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.865 0.364 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.3 p -120.31 176.76 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.721 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 65.3 m -83.22 147.31 28.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.113 0.482 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 t -140.44 167.2 22.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.6 m -77.54 114.9 45.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.691 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.2 131.98 37.41 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.365 2.043 . . . . 0.0 112.38 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.001 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.833 0.349 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.1 m -145.67 -65.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.27 -133.91 8.28 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.398 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.655 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -150.13 -163.49 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.991 0.424 . . . . 0.0 110.974 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.7 t -88.01 138.36 30.99 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.688 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo . . . . . 0 C--N 1.346 0.403 0 C-N-CA 122.471 2.114 . . . . 0.0 112.346 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.851 0.357 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 p -105.67 163.29 12.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.257 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -111.88 -16.78 13.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.019 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.95 -177.57 0.15 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.154 0.502 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -50.22 -52.29 37.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 p -65.92 -17.92 64.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.04 -29.49 46.15 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.62 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 4.1 m -75.57 143.12 75.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 120.884 0.373 . . . . 0.0 111.424 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 8.4 Cg_exo -71.69 174.87 10.4 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.381 2.054 . . . . 0.0 112.983 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 47.74 -91.72 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.565 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.9 p -158.85 22.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.126 0.489 . . . . 0.0 110.709 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -77.2 145.76 37.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -89.63 150.12 22.52 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.113 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.4 t -99.58 95.13 6.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.005 0.431 . . . . 0.0 110.875 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.832 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.757 0.313 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.9 p -110.32 167.47 10.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 76.2 m -93.6 140.92 29.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.186 0.517 . . . . 0.0 111.079 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.2 t -140.69 -172.16 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.6 m -82.97 138.6 42.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.9 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.54 136.66 34.14 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.587 2.192 . . . . 0.0 112.267 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 6' ' ' SER . 7.6 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.793 0.33 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -138.43 -72.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.95 -131.61 4.57 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.521 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 p -149.93 -165.33 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.812 0.339 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.5 t -78.98 139.72 57.38 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.704 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo . . . . . 0 N--CA 1.461 -0.425 0 C-N-CA 122.538 2.159 . . . . 0.0 112.309 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 24' ' ' CYS . 3.5 pp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.583 0.23 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.85 ' N ' HD12 ' A' ' 23' ' ' LEU . 22.6 p -115.94 173.47 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 111.221 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -115.67 -19.63 10.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.198 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t 179.56 178.29 0.54 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.986 0.422 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -43.1 -59.59 1.98 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.579 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -20.42 52.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.53 -54.54 12.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.804 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 1.4 m -60.02 143.21 88.37 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 120.879 0.371 . . . . 0.0 111.153 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 12.5 Cg_exo -70.27 -175.98 1.47 Allowed 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.4 2.067 . . . . 0.0 113.186 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 48.29 -99.37 0.05 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.468 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 m -154.11 24.9 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-O 121.081 0.467 . . . . 0.0 110.229 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -83.45 142.8 30.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.334 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 0.0 OUTLIER -89.74 172.66 8.76 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.28 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.4 m -114.24 110.62 20.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.867 0.365 . . . . 0.0 110.978 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.2 mmt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.9 p -115.04 168.3 10.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 81.8 m -75.48 138.85 41.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.181 0.515 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 t -137.25 153.71 50.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.3 m -59.54 125.94 81.08 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.045 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.27 123.87 12.89 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.588 2.192 . . . . 0.0 112.213 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.4 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.014 179.888 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.753 0.311 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -153.87 -63.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.285 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.55 -133.74 8.22 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.658 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.577 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -150.05 -164.93 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.875 0.369 . . . . 0.0 110.649 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 47.9 t -77.88 141.0 63.15 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.809 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.567 ' HA ' HG11 ' A' ' 50' ' ' VAL . 16.2 Cg_exo . . . . . 0 C--N 1.346 0.438 0 C-N-CA 122.458 2.106 . . . . 0.0 112.223 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.507 HD21 HG22 ' A' ' 45' ' ' THR . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.622 0.248 . . . . 0.0 111.2 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 p -104.85 158.45 16.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.027 0.442 . . . . 0.0 111.349 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.01 -10.57 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.914 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.49 -177.84 0.15 Allowed 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.037 0.446 . . . . 0.0 110.674 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.79 -49.24 63.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -67.26 -18.58 65.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.13 -36.51 40.27 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.3 m -73.91 146.58 85.37 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.982 0.42 . . . . 0.0 111.241 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.99 -175.24 2.15 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.285 1.99 . . . . 0.0 113.07 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 46.73 -91.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.482 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.9 p -159.41 25.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.12 0.486 . . . . 0.0 110.565 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -85.82 146.92 26.54 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 12.0 mptt -89.6 170.4 10.51 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.926 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t -113.43 98.26 6.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.842 0.353 . . . . 0.0 110.8 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.9 mmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.868 0.366 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.507 HG22 HD21 ' A' ' 23' ' ' LEU . 81.8 p -114.06 173.41 6.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 66.9 m -90.16 148.4 22.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.211 0.529 . . . . 0.0 111.171 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.54 -177.79 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.864 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.1 m -89.48 138.42 28.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.627 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.77 118.26 5.58 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.447 2.098 . . . . 0.0 112.442 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 6' ' ' SER . 7.1 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.865 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.832 0.349 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 p -149.57 -62.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.99 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.96 -133.6 8.17 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.55 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.449 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -149.89 -164.82 2.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.956 0.408 . . . . 0.0 110.783 -179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -80.56 141.53 52.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo . . . . . 0 C--N 1.347 0.5 0 C-N-CA 122.594 2.196 . . . . 0.0 112.238 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.713 0.292 . . . . 0.0 111.268 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.1 p -107.45 170.9 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 111.209 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -111.39 -22.46 11.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.817 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.09 178.79 1.08 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -44.53 -59.21 2.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -60.23 -20.41 58.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.71 -54.25 26.64 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.475 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -59.99 149.24 74.74 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 120.922 0.391 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.66 179.4 6.55 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.206 1.938 . . . . 0.0 113.32 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 52.99 -88.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.373 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.5 p -166.29 29.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.13 0.49 . . . . 0.0 110.299 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -85.32 142.65 29.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.317 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 6.1 mptt -89.67 168.9 11.76 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.093 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.9 m -112.11 114.87 27.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.7 mmt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.851 0.357 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.0 p -109.75 165.9 11.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.0 m -76.87 137.68 39.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.123 0.487 . . . . 0.0 110.987 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.7 t -139.98 148.37 41.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.76 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.0 m -58.51 129.72 84.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 56.1 Cg_endo -70.06 127.26 14.11 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.412 2.075 . . . . 0.0 112.236 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 6' ' ' SER . 12.2 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -154.41 -70.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.63 -134.18 8.18 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.26 -166.82 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.09 0.471 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.2 t -83.62 140.05 41.09 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.698 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.508 ' HB3' HG21 ' A' ' 50' ' ' VAL . 55.7 Cg_endo . . . . . 0 C--N 1.346 0.447 0 C-N-CA 122.386 2.057 . . . . 0.0 112.264 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.754 0.311 . . . . 0.0 111.317 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.9 p -96.05 164.67 12.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.942 0.401 . . . . 0.0 111.23 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -117.34 -12.02 10.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.17 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 t 176.78 178.64 0.23 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.924 0.392 . . . . 0.0 110.685 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -51.21 -46.15 62.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m -66.49 -20.84 66.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.653 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.15 -44.89 42.9 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.409 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 33.5 m -70.91 137.76 85.14 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.919 0.39 . . . . 0.0 111.002 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.73 -170.2 0.69 Allowed 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.161 1.908 . . . . 0.0 113.283 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 52.71 -90.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.31 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.8 p -161.77 24.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.989 0.423 . . . . 0.0 110.729 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 30' ' ' CYS . 48.2 mt-30 -91.35 145.7 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.335 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 11.0 mptt -89.65 176.23 6.95 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.299 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.1 t -123.4 103.29 8.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.979 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.774 0.321 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.56 175.68 5.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 95.8 m -85.85 146.69 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.023 0.439 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.1 t -140.56 174.47 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.231 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.4 m -87.32 123.43 69.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.42 138.29 65.33 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.45 2.1 . . . . 0.0 112.55 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 8' ' ' PRO . 7.5 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.269 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.87 0.366 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.7 p -140.11 -62.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -108.31 -134.3 7.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.407 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.493 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -150.03 -164.43 2.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.842 0.353 . . . . 0.0 110.822 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -80.13 139.74 52.99 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo . . . . . 0 C--N 1.347 0.457 0 C-N-CA 122.482 2.121 . . . . 0.0 112.151 179.88 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.593 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.2 pp . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.627 0.251 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.5 p -119.92 162.66 18.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.938 0.399 . . . . 0.0 111.18 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -115.47 -14.25 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.189 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t 178.05 178.91 0.34 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.045 0.45 . . . . 0.0 110.825 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -49.76 -47.77 50.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -63.76 -21.95 66.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.635 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.92 -40.25 44.49 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.439 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.0 m -76.99 143.04 69.9 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.906 0.384 . . . . 0.0 111.053 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -86.38 -171.61 0.86 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.398 2.066 . . . . 0.0 113.346 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 49.19 -93.9 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.439 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.8 p -155.98 20.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.04 0.448 . . . . 0.0 110.677 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -84.43 142.06 30.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 11.3 mptt -89.54 173.11 8.51 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.117 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.3 t -109.43 87.7 2.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.835 0.35 . . . . 0.0 111.05 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.657 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.1 mtt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.917 0.389 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.0 p -121.45 174.6 6.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.469 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.593 ' SG ' HD11 ' A' ' 23' ' ' LEU . 86.9 m -80.79 145.27 31.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.115 0.483 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -140.44 178.87 7.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.954 -179.684 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.464 ' H ' HG22 ' A' ' 47' ' ' THR . 23.3 m -83.82 135.07 43.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.4 129.0 15.23 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.438 2.092 . . . . 0.0 112.274 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 6' ' ' SER . 13.8 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.03 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.912 0.387 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.1 m -144.94 -74.66 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.28 -132.81 6.35 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 p -150.08 -174.76 4.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.005 0.431 . . . . 0.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.3 t -75.91 137.9 69.48 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.788 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 C--N 1.346 0.436 0 C-N-CA 122.364 2.043 . . . . 0.0 112.206 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.703 0.287 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.83 159.08 15.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.018 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -111.7 -14.59 13.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.006 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.1 t 178.48 179.65 0.35 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.04 0.448 . . . . 0.0 110.874 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -49.04 -52.06 27.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.068 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 p -62.63 -20.66 65.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.787 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.03 -35.25 44.84 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.438 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 m -76.41 148.0 79.78 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.885 0.374 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -82.06 -176.13 2.86 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 122.283 1.989 . . . . 0.0 113.254 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 46.42 -97.94 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.537 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -150.16 16.8 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-O 121.055 0.455 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.4 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 34.7 mt-30 -79.94 143.5 34.14 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.166 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 10.6 mptt -89.56 174.05 7.98 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.258 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.7 t -112.96 98.25 7.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.758 0.313 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.9 mmt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.931 0.396 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.6 p -109.59 -176.61 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.801 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 84.1 m -90.49 146.13 24.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.815 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -140.41 179.04 6.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.063 -179.766 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 47' ' ' THR . 60.4 m -89.75 135.14 30.92 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.661 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.437 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 70.5 Cg_endo -74.51 131.5 14.99 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.424 2.083 . . . . 0.0 112.479 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.3 p . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.068 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.77 0.319 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.17 -60.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.22 -134.39 7.52 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.464 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.09 -163.99 1.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.915 0.388 . . . . 0.0 110.772 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.8 t -77.21 138.31 64.54 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo . . . . . 0 C--N 1.346 0.405 0 C-N-CA 122.513 2.142 . . . . 0.0 112.382 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.654 0.264 . . . . 0.0 111.478 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.7 p -116.58 173.75 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 111.378 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -124.04 -4.68 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.221 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.6 t 172.6 171.25 0.12 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.023 0.44 . . . . 0.0 110.94 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -43.88 -59.35 2.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -21.36 49.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.701 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.27 -56.43 13.85 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.489 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 m -61.14 149.44 82.27 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-O 120.9 0.381 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -81.66 -172.85 1.58 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 122.356 2.038 . . . . 0.0 113.537 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 50.77 -100.55 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.8 m -153.52 21.33 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-O 120.945 0.402 . . . . 0.0 110.375 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.414 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 14.9 mt-30 -83.42 142.21 31.14 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.423 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 0.2 OUTLIER -89.69 176.1 6.99 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 -179.655 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 70.3 m -117.07 117.0 28.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.722 0.296 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.886 0.374 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.6 p -122.69 167.3 13.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.936 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 57.3 m -72.5 137.06 46.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.177 0.513 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 t -140.12 161.13 38.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.039 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.8 m -68.21 128.36 93.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 60.6 Cg_endo -72.35 131.47 17.73 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.532 2.155 . . . . 0.0 112.375 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.025 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.829 0.347 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.43 -55.91 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.07 -134.11 7.47 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.36 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.04 -170.59 3.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.947 0.403 . . . . 0.0 110.571 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -83.8 135.01 43.32 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.788 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 C--N 1.346 0.433 0 C-N-CA 122.455 2.103 . . . . 0.0 112.407 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.831 0.348 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.0 p -108.62 170.94 7.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.154 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -113.0 -19.46 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.88 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.11 -177.71 0.17 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.122 0.487 . . . . 0.0 110.837 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -53.12 -41.28 64.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.8 m -70.47 -19.81 62.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.7 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.58 -33.82 33.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.551 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.2 m -75.55 140.47 71.88 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.944 0.402 . . . . 0.0 111.155 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -86.75 -173.09 1.08 Allowed 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 122.301 2.001 . . . . 0.0 113.234 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 50.82 -90.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.325 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.8 p -161.74 25.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.136 0.493 . . . . 0.0 110.681 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -88.06 141.88 28.22 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.41 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -89.75 152.82 21.12 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.886 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.9 t -99.68 95.77 7.18 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.94 0.4 . . . . 0.0 110.755 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.961 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.0 mmt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.823 0.344 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.2 p -137.19 163.2 31.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.785 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.1 m -85.42 139.39 31.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.23 0.538 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.5 t -140.6 176.33 8.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.2 m -74.66 132.62 77.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.759 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.71 137.65 25.2 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.469 2.113 . . . . 0.0 112.295 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.3 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.05 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.66 -63.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.779 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.69 -135.03 6.55 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.315 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.45 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -150.27 -162.68 1.6 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.851 0.358 . . . . 0.0 110.734 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -66.03 137.99 96.07 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.41 ' HA ' HG11 ' A' ' 50' ' ' VAL . 14.5 Cg_endo . . . . . 0 C--N 1.345 0.394 0 C-N-CA 122.573 2.182 . . . . 0.0 112.248 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.545 0.212 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.97 -178.62 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 111.305 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -99.74 -35.37 9.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.076 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.05 -174.78 2.12 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.288 0.566 . . . . 0.0 111.313 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -44.13 -54.66 5.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.661 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -66.91 -15.57 63.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.167 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.25 -41.61 25.81 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.83 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 1.6 m -67.61 142.96 96.53 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.846 0.355 . . . . 0.0 111.165 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 10.0 Cg_exo -71.37 -179.34 3.55 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.417 2.078 . . . . 0.0 113.105 -178.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 46.76 -91.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.665 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.5 p -161.64 27.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.059 0.457 . . . . 0.0 110.369 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -86.29 144.46 27.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.18 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 4.6 mptt -93.28 156.1 17.02 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.392 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.71 96.47 7.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.899 0.38 . . . . 0.0 110.398 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.218 -179.501 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 mtt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.803 0.335 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.403 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 3.4 t -112.59 159.85 18.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.682 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 65.4 m -74.74 134.4 41.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.438 0.637 . . . . 0.0 111.352 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.8 t -140.61 164.66 29.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.672 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.4 m -64.25 127.95 92.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.401 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 56.8 Cg_endo -70.69 130.89 18.91 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.441 2.094 . . . . 0.0 112.52 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 6' ' ' SER . 12.4 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.947 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.837 0.351 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.24 -57.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.85 -134.85 6.72 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.381 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.43 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -150.25 -168.93 3.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.041 0.448 . . . . 0.0 110.64 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.7 t -90.16 140.54 27.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.733 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo . . . . . 0 C--N 1.347 0.462 0 C-N-CA 122.412 2.075 . . . . 0.0 112.126 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.779 0.324 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.4 p -104.34 159.65 15.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -111.88 -14.29 13.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.044 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t 178.1 179.17 0.34 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.991 0.424 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -49.24 -48.98 45.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.013 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -64.53 -20.64 66.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.12 -42.98 41.62 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.7 m -71.65 141.21 84.79 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.946 0.403 . . . . 0.0 111.059 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -86.61 -172.08 0.92 Allowed 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 122.342 2.028 . . . . 0.0 113.373 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 51.04 -99.5 0.07 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.319 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -148.71 16.6 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 120.958 0.408 . . . . 0.0 110.752 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.4 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 38.9 mt-30 -84.92 141.96 30.02 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.17 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 9.7 mptt -89.79 174.77 7.53 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.335 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.0 t -113.48 96.51 5.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.901 0.381 . . . . 0.0 110.722 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.06 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.747 0.308 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.01 -177.09 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 93.1 m -90.98 146.95 23.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.099 0.476 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 t -140.39 -175.85 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.981 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.1 m -85.33 136.69 37.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.17 128.69 13.23 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.571 2.18 . . . . 0.0 112.363 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 6' ' ' SER . 14.0 p . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.062 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.893 0.377 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.0 t -160.97 -70.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.67 -133.41 7.1 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.462 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.06 -164.16 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.957 0.408 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 t -87.53 140.08 31.77 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.814 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HA ' HG11 ' A' ' 50' ' ' VAL . 32.7 Cg_exo . . . . . 0 C--N 1.347 0.448 0 C-N-CA 122.366 2.044 . . . . 0.0 112.251 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.663 0.268 . . . . 0.0 111.333 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.9 p -110.31 172.12 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.401 . . . . 0.0 111.149 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -134.01 7.67 3.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.308 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t 169.49 170.92 0.05 OUTLIER 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.013 0.435 . . . . 0.0 110.819 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.58 -50.94 66.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.3 p -60.09 -23.08 63.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.49 -32.07 43.55 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.414 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 1.7 m -71.62 143.13 86.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.854 0.359 . . . . 0.0 111.205 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 7.4 Cg_exo -72.53 176.32 8.93 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 122.328 2.019 . . . . 0.0 112.85 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 45.5 -95.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.613 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.77 16.54 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 121.026 0.441 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.473 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 29.4 mt-30 -72.59 143.58 48.18 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.06 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -89.81 148.99 22.88 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.222 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.7 t -99.62 104.16 15.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.904 0.383 . . . . 0.0 110.75 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.8 p -123.96 176.16 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 34' ' ' GLN . 96.0 m -96.68 144.46 26.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.8 t -140.81 171.65 13.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.093 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.8 m -76.07 117.98 67.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.724 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -51.98 135.06 50.77 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.481 2.12 . . . . 0.0 112.567 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' A' ' 8' ' ' PRO . 13.0 p . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.9 m -150.6 -61.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.63 -133.55 8.07 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.572 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.03 -165.59 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.942 0.401 . . . . 0.0 110.82 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.9 t -84.68 139.59 37.89 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.764 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.736 ' HA ' HG21 ' A' ' 50' ' ' VAL . 36.5 Cg_exo . . . . . 0 C--N 1.347 0.452 0 C-N-CA 122.459 2.106 . . . . 0.0 112.274 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.704 0.287 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 p -108.71 164.88 11.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.941 0.401 . . . . 0.0 111.268 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -127.42 3.6 6.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.017 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t 169.01 173.17 0.04 OUTLIER 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.91 0.386 . . . . 0.0 110.493 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -53.39 -41.57 66.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.04 -21.3 64.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.569 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.8 -37.76 38.4 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.368 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 33.9 m -71.71 148.16 92.4 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-O 120.962 0.411 . . . . 0.0 111.169 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -84.13 -177.51 3.06 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.362 2.041 . . . . 0.0 113.454 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 42.84 -94.43 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.795 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -144.9 2.16 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 120.853 0.358 . . . . 0.0 111.064 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.418 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 9.7 mt-30 -61.92 140.35 58.31 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 13.7 mptt -91.42 169.07 11.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.36 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.7 t -114.45 101.0 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.846 0.355 . . . . 0.0 110.439 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 14.6 mmm . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.911 0.386 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.1 p -110.1 168.15 9.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.71 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 93.7 m -90.66 145.74 24.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.145 0.497 . . . . 0.0 111.149 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.8 t -140.51 -175.46 4.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.764 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.7 m -83.04 137.98 42.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.788 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.47 136.11 27.89 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.403 2.069 . . . . 0.0 112.318 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.736 HG21 ' HA ' ' A' ' 8' ' ' PRO . 14.8 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.266 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.805 0.336 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 61.21 107.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.98 -60.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.9 t -144.85 -47.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.706 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.09 -134.2 4.85 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.24 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.01 -165.9 2.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.998 0.428 . . . . 0.0 110.707 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 t -85.86 137.71 35.6 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.971 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -82.94 85.8 1.54 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.664 2.243 . . . . 0.0 112.424 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.1 108.05 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -159.69 -45.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.8 m 60.72 27.73 17.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.42 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -72.82 -60.09 2.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 12' ' ' MET . 43.5 Cg_endo -68.41 121.38 8.33 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.459 2.106 . . . . 0.0 112.324 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mt -128.07 103.62 20.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.68 110.75 1.95 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.497 2.131 . . . . 0.0 112.374 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.41 -27.42 11.22 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.563 2.175 . . . . 0.0 112.285 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 tp -57.08 155.02 8.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.34 85.18 0.13 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.347 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.3 mt -135.32 97.18 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.751 0.31 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.59 72.8 1.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.88 116.8 3.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 43' ' ' PHE . 7.1 t -58.44 -175.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -160.77 -46.21 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.068 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.2 p -104.31 162.24 13.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 111.07 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -114.25 -14.06 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.151 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.23 -177.78 0.24 Allowed 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.145 0.498 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.17 -52.56 43.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.4 p -64.58 -19.08 65.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.98 -35.42 44.53 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.1 m -74.67 145.7 82.26 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-O 120.868 0.366 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -82.95 -176.5 2.9 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.268 1.979 . . . . 0.0 113.16 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 49.35 -89.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.446 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.8 p -162.8 27.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.041 0.448 . . . . 0.0 110.506 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -88.25 144.14 26.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.295 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 7.1 mptt -89.82 150.81 22.08 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.079 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 20.3 t -99.63 104.34 16.1 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.948 0.404 . . . . 0.0 110.913 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.61 -175.08 3.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.87 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.93 92.89 4.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -138.79 59.02 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.786 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.33 -109.23 0.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.568 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.5 t -98.63 25.5 6.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.312 . . . . 0.0 111.05 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.82 26.23 42.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.654 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.422 ' HB2' ' HB ' ' A' ' 22' ' ' THR . 0.2 OUTLIER -116.66 -176.39 2.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.931 0.395 . . . . 0.0 110.923 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.6 mtt -104.81 95.15 5.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.377 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.5 t -113.36 177.01 4.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.032 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 78.7 m -90.18 142.72 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.166 0.507 . . . . 0.0 111.105 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 t -140.37 176.9 8.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.824 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.0 m -78.6 133.86 62.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 58.6 Cg_endo -71.48 130.57 17.45 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.48 2.12 . . . . 0.0 112.301 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.452 HG23 ' HD2' ' A' ' 51' ' ' PRO . 10.5 p -106.86 136.53 19.43 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.102 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.452 ' HD2' HG23 ' A' ' 50' ' ' VAL . 57.0 Cg_endo . . . . . 0 C--O 1.248 1.007 0 C-N-CA 122.49 2.127 . . . . 1.0 112.241 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.817 0.341 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 61.65 149.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.85 -53.28 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -152.87 -70.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.06 -133.01 5.95 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.547 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.507 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -149.99 -164.67 2.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.952 0.406 . . . . 0.0 110.713 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 53.5 t -83.25 129.81 59.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.951 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 21.3 Cg_exo -65.43 148.71 88.21 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.465 2.11 . . . . 0.0 112.321 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 54.78 -176.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.4 tpp -140.52 -68.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -44.97 167.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.545 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.6 mtp -130.18 71.35 82.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.16 -19.44 41.68 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.602 2.202 . . . . 0.0 112.598 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.7 mm -70.91 132.92 86.42 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.066 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 82.1 Cg_endo -77.94 146.92 23.63 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.542 2.161 . . . . 0.0 112.312 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 50.5 Cg_exo -55.42 -29.07 66.82 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.509 2.14 . . . . 0.0 112.237 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.39 77.49 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 148.88 102.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.622 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.4 mt -151.78 107.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.892 0.377 . . . . 0.0 110.945 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.2 m -57.19 -80.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.039 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -179.89 170.32 1.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.436 ' HB ' ' CZ ' ' A' ' 43' ' ' PHE . 3.4 t -81.01 176.1 10.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.63 -50.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.738 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.7 p -106.2 157.15 17.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.968 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -102.28 -21.43 14.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t 177.52 -179.55 0.24 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.648 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -51.0 -38.26 50.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.99 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.3 p -70.58 -21.29 62.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.711 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.81 -30.16 36.45 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.1 m -77.82 145.43 70.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.93 0.395 . . . . 0.0 111.193 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -81.91 -178.38 4.1 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.222 1.948 . . . . 0.0 113.25 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 47.34 -91.16 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.585 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.9 p -160.43 24.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.107 0.48 . . . . 0.0 110.509 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.402 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 33.5 mt-30 -81.74 140.25 34.39 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.206 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 5.4 mptt -89.71 150.72 22.19 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.343 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.4 t -99.48 99.66 10.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.891 0.377 . . . . 0.0 110.704 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.9 -174.79 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.109 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -102.43 105.7 16.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -176.68 177.22 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.94 -60.88 4.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -164.36 -67.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.761 0.315 . . . . 0.0 110.792 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.73 -157.15 1.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.349 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.438 ' CD2' ' HG3' ' A' ' 44' ' ' MET . 14.9 p90 -118.25 -10.25 10.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.609 0.242 . . . . 0.0 111.55 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.438 ' HG3' ' CD2' ' A' ' 43' ' ' PHE . 1.3 mtp -141.75 73.99 1.44 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.901 0.382 . . . . 0.0 110.952 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 p -116.33 167.7 10.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 34' ' ' GLN . 63.7 m -94.45 139.05 31.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.8 t -140.54 -179.84 6.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.4 m -75.22 135.39 73.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.787 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 66.9 Cg_endo -73.59 138.84 27.39 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.505 2.137 . . . . 0.0 112.411 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.552 ' O ' HG13 ' A' ' 50' ' ' VAL . 15.0 p -109.75 116.45 54.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 122.447 2.098 . . . . 1.0 112.292 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.781 0.324 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 62.27 117.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -90.01 -55.9 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.36 -61.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.62 -133.49 6.74 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.386 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.567 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -150.18 -166.0 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.102 0.477 . . . . 0.0 110.793 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.2 t -88.12 140.32 30.72 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.744 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -60.23 -162.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.452 2.101 . . . . 0.0 112.15 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -178.06 54.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.5 -72.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -42.83 124.97 3.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.717 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.427 ' N ' ' HD3' ' A' ' 13' ' ' PRO . 4.3 ttp -139.27 64.9 33.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 12' ' ' MET . 11.2 Cg_exo -70.89 146.84 54.23 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.755 2.303 . . . . 0.0 112.228 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.515 ' O ' HG22 ' A' ' 14' ' ' ILE . 2.7 mp -135.43 51.45 5.67 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.455 ' HG2' HG21 ' A' ' 19' ' ' ILE . 77.0 Cg_endo -77.23 114.74 3.82 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.587 2.191 . . . . 0.0 112.393 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.13 44.3 1.63 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.613 2.209 . . . . 0.0 112.642 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 tp -101.62 -49.81 3.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.58 44.38 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.539 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.455 HG21 ' HG2' ' A' ' 15' ' ' PRO . 4.4 tt -83.74 3.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.817 0.342 . . . . 0.0 111.528 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.9 m -80.64 85.06 6.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.85 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -139.33 92.48 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.408 ' HB ' ' HB2' ' A' ' 43' ' ' PHE . 6.5 t -60.6 130.2 45.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.823 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.539 HD11 ' SG ' ' A' ' 46' ' ' CYS . 1.8 pp -122.07 -33.26 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.484 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.4 p -110.3 164.17 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.008 0.432 . . . . 0.0 111.263 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.15 -12.54 10.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.041 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.4 t 177.05 178.62 0.25 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.906 0.384 . . . . 0.0 110.697 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -51.6 -44.3 62.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -68.33 -19.96 64.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.62 -30.51 39.71 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.634 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.2 m -74.56 144.91 81.42 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.948 0.404 . . . . 0.0 111.25 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 33' ' ' VAL . 98.5 Cg_endo -82.7 -178.31 3.86 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.278 1.986 . . . . 0.0 113.08 -179.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 47.4 -90.21 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.52 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.628 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.8 p -161.35 26.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.149 0.5 . . . . 0.0 110.515 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -84.22 144.15 29.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.07 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 6.1 mptt -89.65 147.74 23.72 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.061 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.1 t -99.42 103.38 15.16 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.0 0.429 . . . . 0.0 110.581 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.52 -174.62 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.149 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -116.81 116.92 28.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.809 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -58.65 -65.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.88 -35.66 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.553 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.54 -43.94 89.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.14 47.71 0.17 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.495 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.408 ' HB2' ' HB ' ' A' ' 22' ' ' THR . 1.7 p90 -145.5 151.5 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.844 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.0 mmt -90.01 110.75 21.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.2 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.417 HG22 ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -124.57 169.96 11.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.539 ' SG ' HD11 ' A' ' 23' ' ' LEU . 94.9 m -96.4 143.98 26.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.16 0.505 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.6 t -140.56 -177.12 4.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.3 m -81.94 136.94 46.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 56.5 Cg_endo -70.27 134.38 26.77 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.507 2.138 . . . . 0.0 112.27 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 6' ' ' SER . 14.5 p -105.53 134.64 19.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.486 2.124 . . . . 1.0 112.312 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.843 0.354 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 63.67 126.18 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.986 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -104.19 -66.34 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -141.47 -65.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.78 -133.69 8.15 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.347 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -150.17 -166.25 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.934 0.397 . . . . 0.0 110.749 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t -71.65 136.73 83.15 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.46 ' CD ' HG21 ' A' ' 47' ' ' THR . 55.6 Cg_endo -70.37 144.61 51.28 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.42 2.08 . . . . 0.0 112.256 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -111.38 179.37 4.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.995 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.8 ttt 64.43 15.51 9.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.291 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 p -50.77 178.41 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.403 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.32 143.22 38.81 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.767 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.65 106.09 1.21 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.491 2.127 . . . . 0.0 112.321 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.406 HG23 ' HD2' ' A' ' 15' ' ' PRO . 31.1 mm -99.76 136.65 20.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.055 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 57.8 Cg_endo -71.09 146.58 52.4 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.375 2.05 . . . . 0.0 112.321 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 51.4 Cg_exo -54.05 -26.74 42.5 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.505 2.136 . . . . 0.0 112.325 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tp -87.22 128.02 35.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.09 -36.58 4.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.64 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.3 mt -154.62 107.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.782 0.325 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -172.92 99.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -176.37 121.63 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 t -75.34 122.06 23.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.61 -28.94 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.366 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.4 159.87 17.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.0 0.428 . . . . 0.0 111.285 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -112.78 -13.22 13.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.976 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.33 -177.52 0.18 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.116 0.484 . . . . 0.0 110.813 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -51.47 -50.25 60.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.048 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.6 p -66.53 -18.63 65.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.795 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.9 -34.53 42.39 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.492 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 10.1 m -73.94 147.43 86.19 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.975 0.417 . . . . 0.0 111.232 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -84.17 -175.32 2.15 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.36 2.04 . . . . 0.0 113.21 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 45.08 -97.86 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.552 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -148.54 13.16 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-O 120.959 0.409 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 28.3 mt-30 -76.47 143.73 40.31 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.093 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 14.5 mptt -89.73 170.6 10.3 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.283 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.0 t -114.82 101.69 9.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.838 0.351 . . . . 0.0 110.625 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.36 -175.27 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.055 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.05 67.85 0.67 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.923 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -86.76 157.41 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.59 -136.65 26.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.563 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.7 p -59.2 -43.67 92.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.851 0.357 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.99 -142.67 9.02 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.42 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 60.4 162.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 mmt -89.85 91.2 8.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.3 p -108.45 171.81 7.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 95.1 m -93.64 145.62 24.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.021 0.438 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.46 HG21 ' CD ' ' A' ' 8' ' ' PRO . 15.1 t -140.55 -174.24 3.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.824 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.4 m -81.7 137.84 47.43 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.776 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.32 126.86 13.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.467 2.111 . . . . 0.0 112.364 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.5 t -139.58 103.13 7.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.45 2.1 . . . . 1.0 112.288 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.852 0.358 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 60.41 85.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.797 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.99 -54.1 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.7 m -147.54 -70.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.95 -134.4 7.59 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.486 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -149.99 -163.79 1.86 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.905 0.383 . . . . 0.0 110.72 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.09 135.75 76.59 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.92 -44.19 2.11 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.412 2.075 . . . . 0.0 112.473 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.12 -170.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 59.4 -170.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.03 151.7 0.13 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.427 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.12 91.13 2.68 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.811 ' O ' HD13 ' A' ' 14' ' ' ILE . 25.3 Cg_exo -63.04 74.63 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.677 2.251 . . . . 0.0 112.157 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.811 HD13 ' O ' ' A' ' 13' ' ' PRO . 24.9 mm -140.3 91.01 10.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -46.09 103.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.751 2.301 . . . . 0.0 112.575 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -84.08 48.4 2.51 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.737 2.291 . . . . 0.0 112.504 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tp -81.59 -37.87 26.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.01 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.71 19.26 16.34 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.675 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.618 ' N ' HD12 ' A' ' 19' ' ' ILE . 2.8 mp -130.5 78.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.872 0.368 . . . . 0.0 111.092 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m -123.33 40.05 3.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -149.76 161.35 42.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 t -87.52 165.91 15.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.49 -45.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.5 p -101.27 158.6 15.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.124 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -112.39 -14.24 13.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.959 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.54 -177.33 0.14 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.135 0.493 . . . . 0.0 110.85 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -49.57 -53.9 21.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -19.46 64.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.82 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.78 -36.26 48.33 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.611 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.479 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 7.8 m -79.55 140.8 55.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.755 0.312 . . . . 0.0 111.175 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 3.0 Cg_exo -74.67 -174.71 1.97 Allowed 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.354 2.036 . . . . 0.0 113.151 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 46.95 -95.71 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.505 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 33' ' ' VAL . 15.0 p -154.92 20.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.183 0.516 . . . . 0.0 110.594 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' ' 30' ' ' CYS . 39.4 mt-30 -82.16 143.0 31.74 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 7.0 mptt -89.69 172.4 8.96 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.4 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.5 t -113.7 102.17 10.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.16 -175.64 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -87.36 -114.98 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.746 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m120 64.94 130.77 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.839 0.352 . . . . 0.0 110.954 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.7 -145.01 19.22 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.463 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.9 t -101.06 -31.17 11.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.24 149.53 50.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -74.12 -65.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.6 mmt -127.88 92.17 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.6 p -114.28 178.09 4.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 89.2 m -87.47 146.29 25.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.74 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.45 176.57 8.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.958 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.3 m -81.47 133.97 52.15 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.864 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 60.5 Cg_endo -72.2 125.4 10.8 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.467 2.112 . . . . 0.0 112.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 6' ' ' SER . 10.6 p -106.2 138.96 19.85 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo . . . . . 0 C--O 1.249 1.071 0 C-N-CA 122.496 2.131 . . . . 1.0 112.34 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.755 0.312 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 168.06 42.67 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.71 -70.6 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.1 t -141.65 -56.01 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.716 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.38 -133.85 8.26 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.229 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.09 -170.47 3.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.162 0.506 . . . . 0.0 110.719 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.0 t -86.25 138.11 34.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.681 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.57 ' HA ' HG21 ' A' ' 50' ' ' VAL . 73.8 Cg_endo -77.67 172.93 14.93 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.541 2.161 . . . . 0.0 112.328 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -103.72 166.56 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.5 mtm -71.21 167.51 19.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.46 -35.9 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.765 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 43.5 mtt -125.03 110.6 27.15 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.29 156.41 65.79 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.435 2.09 . . . . 0.0 112.295 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.434 HG23 ' HD2' ' A' ' 15' ' ' PRO . 6.3 mt -128.31 136.32 28.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HD2' HG23 ' A' ' 14' ' ' ILE . 38.5 Cg_endo -66.59 110.43 1.86 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.492 2.128 . . . . 0.0 112.328 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.54 -11.28 29.56 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.483 2.122 . . . . 0.0 112.538 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.25 -63.49 1.28 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.836 0.35 . . . . 0.0 111.163 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.05 19.05 56.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.835 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.0 mt -150.74 103.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.727 0.299 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -159.6 -171.11 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.068 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 tttt 75.44 141.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 t -74.59 168.36 19.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.61 -47.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.9 p -113.0 164.22 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.201 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.51 -17.35 12.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.87 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.26 177.9 1.79 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.025 0.44 . . . . 0.0 110.776 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -53.7 -46.87 70.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.5 p -62.62 -23.0 66.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.675 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.0 -32.14 40.88 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.417 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 m -68.84 144.1 95.48 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.895 0.379 . . . . 0.0 111.237 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' VAL . 78.1 Cg_endo -81.39 179.85 5.51 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.152 1.901 . . . . 0.0 112.974 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 46.59 -89.46 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.609 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.9 p -162.29 28.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.26 0.553 . . . . 0.0 110.414 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -83.96 146.5 27.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.19 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.53 147.4 23.99 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.842 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.9 t -99.32 90.67 4.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.103 0.477 . . . . 0.0 110.326 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.75 -174.13 2.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.008 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.76 96.69 7.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.775 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -104.06 -60.3 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.73 -150.0 2.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.565 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.2 p -64.26 78.26 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.794 0.331 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.77 -146.28 42.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.274 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 55.14 -176.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 111.003 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.23 107.5 14.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.7 p -116.86 170.19 8.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.4 m -90.84 141.82 28.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.317 0.58 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 t -140.6 178.97 6.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.755 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.9 m -70.83 130.67 88.26 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.69 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.434 ' HG3' HG13 ' A' ' 33' ' ' VAL . 54.2 Cg_endo -69.96 133.83 26.11 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.442 2.095 . . . . 0.0 112.251 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.57 HG21 ' HA ' ' A' ' 8' ' ' PRO . 3.4 t -95.46 126.52 45.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo . . . . . 0 C--O 1.249 1.032 0 C-N-CA 122.466 2.111 . . . . 1.0 112.306 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.811 0.339 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 60.77 109.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -102.37 -60.13 1.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.5 p -151.47 -60.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.61 -133.81 7.83 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.406 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.25 -164.12 1.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.934 0.397 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.6 t -89.81 138.15 28.05 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -82.66 156.02 15.95 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.605 2.203 . . . . 0.0 112.368 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -151.41 116.36 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.1 mtm -137.3 -79.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m 57.34 22.11 7.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.41 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -79.98 -57.6 0.66 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.139 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' ' 12' ' ' MET . 68.0 Cg_endo -75.1 -166.68 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.458 2.105 . . . . 0.0 112.493 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.3 mp -51.06 112.46 3.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.298 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -51.87 130.96 36.44 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.488 2.125 . . . . 0.0 112.259 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -86.98 37.2 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.734 2.29 . . . . 0.0 112.681 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tp -61.36 143.5 55.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 126.87 -11.79 6.94 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.824 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -97.34 80.41 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-O 120.851 0.357 . . . . 0.0 110.802 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.1 m -91.98 -164.45 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 72.85 133.17 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.998 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.8 t -75.6 -178.36 4.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.782 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.7 -42.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.0 p -123.49 162.14 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 111.441 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -114.63 -14.13 12.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.75 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.78 177.92 1.04 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 120.966 0.413 . . . . 0.0 110.793 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -52.32 -44.18 64.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.4 m -69.22 -19.59 63.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.676 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.43 -38.62 37.96 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.521 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 6.0 m -69.9 147.8 96.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.95 0.405 . . . . 0.0 111.304 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -82.22 -178.57 4.13 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.27 1.98 . . . . 0.0 113.077 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 43.95 -93.43 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.674 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 m -147.64 5.01 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-O 120.842 0.353 . . . . 0.0 111.072 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 32.4 mt-30 -61.46 141.37 57.73 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 14.1 mptt -89.81 168.47 12.05 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.927 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.0 t -112.92 99.33 7.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.91 0.386 . . . . 0.0 110.656 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.87 -174.8 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.958 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.91 89.59 3.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -122.84 153.07 40.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.2 -126.28 7.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.28 -64.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.367 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.7 -158.21 30.94 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 60.56 178.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.699 0.285 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.56 104.08 15.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.226 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.3 p -120.31 176.76 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.721 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 65.3 m -83.22 147.31 28.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.113 0.482 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 t -140.44 167.2 22.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.6 m -77.54 114.9 45.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.691 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.2 131.98 37.41 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.365 2.043 . . . . 0.0 112.38 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p -106.65 133.02 20.44 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.444 2.096 . . . . 0.0 112.286 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.875 0.369 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 62.76 148.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.64 -64.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.1 m -145.67 -65.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.27 -133.91 8.28 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.398 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.655 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -150.13 -163.49 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.991 0.424 . . . . 0.0 110.974 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.7 t -88.01 138.36 30.99 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.688 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.83 164.79 28.17 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.471 2.114 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.75 -160.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.77 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 76.48 -67.99 0.2 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.062 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.42 -166.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.758 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.6 ttt -176.53 100.59 0.24 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.9 119.63 6.54 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.435 2.09 . . . . 0.0 112.358 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.418 HG23 ' HD2' ' A' ' 15' ' ' PRO . 29.8 mt -149.18 136.76 11.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.024 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.418 ' HD2' HG23 ' A' ' 14' ' ' ILE . 23.5 Cg_endo -61.63 143.74 96.96 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.405 2.07 . . . . 0.0 112.088 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -82.55 8.47 4.53 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.682 2.255 . . . . 0.0 113.094 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tt -90.76 95.29 10.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.342 . . . . 0.0 110.982 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.93 23.55 8.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.854 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.731 HG22 ' SG ' ' A' ' 41' ' ' CYS . 4.9 mm -109.06 -130.47 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.1 m -117.04 -172.8 2.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.893 0.378 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -112.92 148.04 35.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 t -55.23 152.6 7.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.66 -47.51 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 p -105.67 163.29 12.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.257 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -111.88 -16.78 13.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.019 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.95 -177.57 0.15 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.154 0.502 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -50.22 -52.29 37.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 p -65.92 -17.92 64.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.04 -29.49 46.15 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.62 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 4.1 m -75.57 143.12 75.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 120.884 0.373 . . . . 0.0 111.424 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 8.4 Cg_exo -71.69 174.87 10.4 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.381 2.054 . . . . 0.0 112.983 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 47.74 -91.72 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.565 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.9 p -158.85 22.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.126 0.489 . . . . 0.0 110.709 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -77.2 145.76 37.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -89.63 150.12 22.52 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.113 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.4 t -99.58 95.13 6.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.005 0.431 . . . . 0.0 110.875 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.39 -174.34 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.832 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -99.25 64.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.722 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -117.28 -38.92 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.05 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.97 -111.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.532 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.731 ' SG ' HG22 ' A' ' 19' ' ' ILE . 5.3 t -92.04 -52.65 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.748 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.42 176.77 43.96 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.682 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 62.97 -92.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.411 0.148 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.12 94.0 2.08 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.757 0.313 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.722 HG21 ' H ' ' A' ' 41' ' ' CYS . 42.9 p -110.32 167.47 10.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 76.2 m -93.6 140.92 29.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.186 0.517 . . . . 0.0 111.079 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.2 t -140.69 -172.16 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.6 m -82.97 138.6 42.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.9 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.54 136.66 34.14 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.587 2.192 . . . . 0.0 112.267 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 6' ' ' SER . 7.6 p -99.85 135.78 20.39 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.056 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.515 2.143 . . . . 0.0 112.346 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.3 p30 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.794 0.33 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 62.45 118.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -90.24 -64.0 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -138.43 -72.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.95 -131.61 4.57 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.521 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 p -149.93 -165.33 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.812 0.339 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.5 t -78.98 139.72 57.38 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.704 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -82.87 164.66 15.66 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.538 2.159 . . . . 0.0 112.309 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -119.75 -50.52 2.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.423 ' O ' ' N ' ' A' ' 12' ' ' MET . 23.7 ptm 44.72 29.48 0.43 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.521 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 p 50.4 -88.48 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.454 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 10' ' ' MET . 24.6 ttt -73.49 114.82 35.37 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.32 -159.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.405 2.07 . . . . 0.0 112.172 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.2 tt -107.65 138.42 19.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -48.49 105.4 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.545 2.163 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -73.98 46.62 1.34 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.933 2.422 . . . . 0.0 112.675 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 tt -84.48 -31.45 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.927 0.394 . . . . 0.0 110.863 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.73 19.78 2.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.686 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.2 mm -121.66 77.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.1 t -148.48 83.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.92 110.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.4 t -60.12 121.2 11.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 24' ' ' CYS . 3.5 pp -113.59 -27.01 8.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.322 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.85 ' N ' HD12 ' A' ' 23' ' ' LEU . 22.6 p -115.94 173.47 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 111.221 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -115.67 -19.63 10.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.198 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t 179.56 178.29 0.54 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.986 0.422 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -43.1 -59.59 1.98 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.579 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -20.42 52.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.53 -54.54 12.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.804 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 1.4 m -60.02 143.21 88.37 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 120.879 0.371 . . . . 0.0 111.153 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 12.5 Cg_exo -70.27 -175.98 1.47 Allowed 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.4 2.067 . . . . 0.0 113.186 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 48.29 -99.37 0.05 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.468 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 m -154.11 24.9 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-O 121.081 0.467 . . . . 0.0 110.229 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -83.45 142.8 30.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.334 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 0.0 OUTLIER -89.74 172.66 8.76 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.28 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.4 m -114.24 110.62 20.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.867 0.365 . . . . 0.0 110.978 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -135.73 -175.15 3.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -96.44 40.83 1.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -83.89 71.54 10.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.5 100.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.524 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.6 t 61.58 -81.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.702 0.287 . . . . 0.0 110.992 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.13 77.32 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.513 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -164.12 175.7 9.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.755 0.312 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.2 mmt -90.27 90.21 7.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.9 p -115.04 168.3 10.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 81.8 m -75.48 138.85 41.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.181 0.515 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 t -137.25 153.71 50.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.3 m -59.54 125.94 81.08 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.045 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.27 123.87 12.89 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.588 2.192 . . . . 0.0 112.213 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.4 t -140.39 118.98 8.42 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.014 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo . . . . . 0 C--O 1.248 1.018 0 C-N-CA 122.432 2.088 . . . . 1.0 112.318 -179.914 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.81 0.338 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 166.86 150.09 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -93.58 -54.23 3.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -153.87 -63.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.285 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.55 -133.74 8.22 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.658 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.577 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -150.05 -164.93 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.875 0.369 . . . . 0.0 110.649 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 47.9 t -77.88 141.0 63.15 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.809 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.567 ' HA ' HG11 ' A' ' 50' ' ' VAL . 16.2 Cg_exo -68.82 -163.89 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.458 2.106 . . . . 0.0 112.223 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -168.82 80.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.678 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.1 ptm -97.24 -12.09 23.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.54 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.9 m 58.42 -157.42 0.31 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.639 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 tpp 76.09 111.04 0.03 OUTLIER Pre-proline 0 N--CA 1.463 0.176 0 CA-C-O 120.673 0.273 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.742 ' O ' HD13 ' A' ' 14' ' ' ILE . 57.6 Cg_exo -52.32 176.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.56 2.173 . . . . 0.0 112.538 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.769 HG21 HD13 ' A' ' 19' ' ' ILE . 31.6 mm -142.21 137.54 15.82 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.457 ' HD2' HG23 ' A' ' 14' ' ' ILE . 40.8 Cg_endo -66.95 159.17 53.11 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.382 2.055 . . . . 0.0 112.011 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -88.68 25.61 0.62 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.752 2.301 . . . . 0.0 112.432 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.7 tp -52.58 -66.05 0.45 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.66 35.62 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.613 -0.804 . . . . 0.0 112.665 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.769 HD13 HG21 ' A' ' 14' ' ' ILE . 5.5 tt -79.21 3.96 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 120.837 0.351 . . . . 0.0 111.528 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -160.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.735 0.303 . . . . 0.0 111.045 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.1 118.39 0.06 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.61 ' C ' HD23 ' A' ' 23' ' ' LEU . 7.4 t -91.3 -176.09 4.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.61 HD23 ' C ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -164.05 -42.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.2 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 p -104.85 158.45 16.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.027 0.442 . . . . 0.0 111.349 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.01 -10.57 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.914 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.49 -177.84 0.15 Allowed 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.037 0.446 . . . . 0.0 110.674 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.79 -49.24 63.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -67.26 -18.58 65.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.13 -36.51 40.27 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.3 m -73.91 146.58 85.37 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.982 0.42 . . . . 0.0 111.241 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.99 -175.24 2.15 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.285 1.99 . . . . 0.0 113.07 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 46.73 -91.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.482 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.9 p -159.41 25.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.12 0.486 . . . . 0.0 110.565 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -85.82 146.92 26.54 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 12.0 mptt -89.6 170.4 10.51 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.926 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t -113.43 98.26 6.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.842 0.353 . . . . 0.0 110.8 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.78 -175.07 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -89.13 -160.79 0.7 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.846 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.4 p30 -169.85 -173.09 1.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.49 67.73 3.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.756 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 t -178.46 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.739 0.304 . . . . 0.0 110.995 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.19 57.05 0.3 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.696 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.43 ' CD1' ' HB ' ' A' ' 22' ' ' THR . 1.4 m-85 -143.09 -174.5 4.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.67 0.271 . . . . 0.0 110.821 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.9 mmt -116.25 99.32 7.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.971 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.507 HG22 HD21 ' A' ' 23' ' ' LEU . 81.8 p -114.06 173.41 6.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 66.9 m -90.16 148.4 22.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.211 0.529 . . . . 0.0 111.171 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.54 -177.79 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.864 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.1 m -89.48 138.42 28.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.627 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.77 118.26 5.58 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.447 2.098 . . . . 0.0 112.442 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 6' ' ' SER . 7.1 p -103.32 135.96 19.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.865 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.466 ' HD2' HG23 ' A' ' 50' ' ' VAL . 48.2 Cg_endo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.386 2.057 . . . . 1.0 112.354 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.813 0.34 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 63.5 125.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.02 -54.03 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 p -149.57 -62.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.99 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.96 -133.6 8.17 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.55 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.449 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -149.89 -164.82 2.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.956 0.408 . . . . 0.0 110.783 -179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -80.56 141.53 52.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.62 -57.19 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.594 2.196 . . . . 0.0 112.238 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 66.88 45.3 1.88 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.807 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -113.4 -77.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 167.27 157.07 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.872 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.27 155.79 32.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.28 148.0 60.76 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.523 2.149 . . . . 0.0 112.363 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.1 mt -137.03 117.98 10.91 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.066 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.26 151.04 66.02 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.427 2.085 . . . . 0.0 112.358 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.28 -26.3 25.26 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.6 2.2 . . . . 0.0 112.233 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tp -76.51 83.54 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.796 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.05 141.81 8.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.407 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.4 mp -94.13 -127.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.6 m -117.03 165.36 13.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -177.84 137.28 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.2 t -58.57 164.36 2.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.53 -45.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.268 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.1 p -107.45 170.9 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 111.209 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -111.39 -22.46 11.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.817 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.09 178.79 1.08 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -44.53 -59.21 2.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -60.23 -20.41 58.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.71 -54.25 26.64 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.475 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -59.99 149.24 74.74 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 120.922 0.391 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.66 179.4 6.55 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.206 1.938 . . . . 0.0 113.32 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 52.99 -88.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.373 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.5 p -166.29 29.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.13 0.49 . . . . 0.0 110.299 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -85.32 142.65 29.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.317 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 6.1 mptt -89.67 168.9 11.76 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.093 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.9 m -112.11 114.87 27.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.16 -176.04 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.51 74.56 1.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.832 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -104.34 101.08 10.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.87 -140.39 16.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.57 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 p -92.13 14.15 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.591 0.234 . . . . 0.0 111.378 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.96 174.15 32.54 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.536 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -111.09 -52.65 2.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 110.682 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.7 mmt -149.94 85.63 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.0 p -109.75 165.9 11.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.0 m -76.87 137.68 39.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.123 0.487 . . . . 0.0 110.987 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.7 t -139.98 148.37 41.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.76 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.0 m -58.51 129.72 84.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 56.1 Cg_endo -70.06 127.26 14.11 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.412 2.075 . . . . 0.0 112.236 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 6' ' ' SER . 12.2 p -106.81 135.63 19.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.086 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.404 ' HD2' HG23 ' A' ' 50' ' ' VAL . 58.7 Cg_endo . . . . . 0 C--O 1.25 1.081 0 C-N-CA 122.459 2.106 . . . . 1.0 112.225 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.802 0.334 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 172.78 154.9 0.09 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.798 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.31 -54.17 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -154.41 -70.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.63 -134.18 8.18 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.26 -166.82 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.09 0.471 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.2 t -83.62 140.05 41.09 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.698 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.508 ' HB3' HG21 ' A' ' 50' ' ' VAL . 55.7 Cg_endo -69.9 167.04 25.76 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.386 2.057 . . . . 0.0 112.264 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.95 29.93 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 42.7 tpp -137.66 -76.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 t 52.52 -172.58 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.425 ' CB ' ' HD3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -179.87 -52.58 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.845 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.425 ' HD3' ' CB ' ' A' ' 12' ' ' MET . 30.0 Cg_exo -61.72 130.87 32.95 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.458 2.105 . . . . 0.0 112.135 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 14' ' ' ILE . 5.3 tt -128.37 112.19 19.59 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.148 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.42 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 72.6 Cg_exo -51.27 106.65 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.45 2.1 . . . . 0.0 112.346 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 55.7 Cg_endo -69.87 -21.09 33.46 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.497 2.131 . . . . 0.0 112.448 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.96 -65.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.021 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.86 106.0 0.73 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 19' ' ' ILE . 1.6 mt -96.69 23.4 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.649 0.262 . . . . 0.0 111.285 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.9 m -156.34 29.65 0.34 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.024 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.4 105.49 12.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.796 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.3 t -68.46 -177.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -162.13 -61.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.317 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.9 p -96.05 164.67 12.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.942 0.401 . . . . 0.0 111.23 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -117.34 -12.02 10.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.17 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 t 176.78 178.64 0.23 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.924 0.392 . . . . 0.0 110.685 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -51.21 -46.15 62.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m -66.49 -20.84 66.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.653 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.15 -44.89 42.9 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.409 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 33.5 m -70.91 137.76 85.14 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.919 0.39 . . . . 0.0 111.002 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.73 -170.2 0.69 Allowed 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.161 1.908 . . . . 0.0 113.283 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 52.71 -90.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.31 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.8 p -161.77 24.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.989 0.423 . . . . 0.0 110.729 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 30' ' ' CYS . 48.2 mt-30 -91.35 145.7 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.335 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 11.0 mptt -89.65 176.23 6.95 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.299 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.1 t -123.4 103.29 8.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.17 -174.87 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.979 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 -162.44 0.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.839 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -179.53 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.759 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 175.16 173.16 40.71 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.359 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 t 61.57 -80.53 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.716 0.293 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' GLY . . . 159.92 80.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.407 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -163.54 -175.08 4.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 0.0 111.031 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.2 ttt -133.02 104.87 6.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.717 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.56 175.68 5.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 95.8 m -85.85 146.69 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.023 0.439 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.1 t -140.56 174.47 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.231 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.4 m -87.32 123.43 69.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.42 138.29 65.33 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.45 2.1 . . . . 0.0 112.55 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 8' ' ' PRO . 7.5 t -123.64 138.11 29.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.269 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo . . . . . 0 C--O 1.249 1.04 0 C-N-CA 122.472 2.115 . . . . 1.0 112.243 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.763 0.316 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -43.08 101.82 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.614 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.93 -67.95 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.7 p -140.11 -62.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -108.31 -134.3 7.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.407 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.493 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -150.03 -164.43 2.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.842 0.353 . . . . 0.0 110.822 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -80.13 139.74 52.99 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -56.93 -161.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.482 2.121 . . . . 0.0 112.151 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -140.64 -47.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.029 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.6 mtp -112.41 -30.34 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.094 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m 62.78 118.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.43 ' O ' HD12 ' A' ' 14' ' ' ILE . 1.7 mtm -75.61 -61.0 0.98 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 12' ' ' MET . 66.8 Cg_endo -74.02 136.12 22.12 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.555 2.17 . . . . 0.0 112.567 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.43 HD12 ' O ' ' A' ' 12' ' ' MET . 3.1 mp -139.28 80.78 22.17 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.032 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.46 127.18 14.46 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.647 2.231 . . . . 0.0 112.343 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.01 -27.75 9.73 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.487 2.125 . . . . 0.0 112.26 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.51 119.39 6.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.03 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.28 118.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.455 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.2 mp -92.05 -126.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.21 117.69 4.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.864 0.364 . . . . 0.0 111.003 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.607 ' O ' HG22 ' A' ' 45' ' ' THR . 0.0 OUTLIER -156.19 84.46 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 22' ' ' THR . 6.7 t -59.03 111.27 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.593 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.2 pp -114.48 -24.43 8.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.387 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.5 p -119.92 162.66 18.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.938 0.399 . . . . 0.0 111.18 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -115.47 -14.25 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.189 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t 178.05 178.91 0.34 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.045 0.45 . . . . 0.0 110.825 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -49.76 -47.77 50.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -63.76 -21.95 66.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.635 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.92 -40.25 44.49 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.439 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.0 m -76.99 143.04 69.9 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.906 0.384 . . . . 0.0 111.053 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -86.38 -171.61 0.86 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.398 2.066 . . . . 0.0 113.346 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 49.19 -93.9 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.439 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.8 p -155.98 20.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.04 0.448 . . . . 0.0 110.677 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -84.43 142.06 30.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 11.3 mptt -89.54 173.11 8.51 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.117 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.3 t -109.43 87.7 2.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.835 0.35 . . . . 0.0 111.05 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.52 -176.39 4.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.657 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.03 -161.07 1.09 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.493 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -143.15 -45.81 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.77 0.319 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.12 -94.97 0.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.941 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.0 p -56.98 -178.45 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.988 0.423 . . . . 0.0 111.463 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.82 -140.15 0.03 OUTLIER Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.561 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 61.4 -179.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 110.706 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.1 mtt -150.23 119.82 6.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 111.369 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 21' ' ' LYS . 82.0 p -121.45 174.6 6.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.469 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.593 ' SG ' HD11 ' A' ' 23' ' ' LEU . 86.9 m -80.79 145.27 31.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.115 0.483 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -140.44 178.87 7.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.954 -179.684 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.464 ' H ' HG22 ' A' ' 47' ' ' THR . 23.3 m -83.82 135.07 43.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.4 129.0 15.23 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.438 2.092 . . . . 0.0 112.274 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 6' ' ' SER . 13.8 p -103.18 136.2 19.27 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.03 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 50' ' ' VAL . 55.7 Cg_endo . . . . . 0 C--O 1.248 1.023 0 C-N-CA 122.418 2.079 . . . . 1.0 112.331 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.478 ' O ' ' CG ' ' A' ' 2' ' ' GLU . 26.8 p30 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.517 0.198 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 1' ' ' ASN . 3.2 pt-20 55.75 148.58 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.521 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.08 -52.0 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.91 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.1 m -144.94 -74.66 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.28 -132.81 6.35 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 p -150.08 -174.76 4.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.005 0.431 . . . . 0.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.3 t -75.91 137.9 69.48 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.788 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.27 166.81 23.99 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.364 2.043 . . . . 0.0 112.206 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.83 -176.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.0 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -67.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.02 24.4 4.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.301 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 mtt 177.48 145.55 0.29 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.758 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.83 168.91 23.35 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.477 2.118 . . . . 0.0 112.358 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.584 HG23 ' O ' ' A' ' 14' ' ' ILE . 19.4 tt -81.29 112.03 29.73 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.4 110.81 2.78 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.418 2.079 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.36 -27.58 4.2 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.601 2.201 . . . . 0.0 112.433 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.0 171.07 15.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.62 -89.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.633 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 19' ' ' ILE . 5.2 mt 51.38 102.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.873 0.368 . . . . 0.0 111.199 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.5 m 56.51 166.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.287 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -132.15 171.14 14.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.402 ' CA ' ' HB3' ' A' ' 43' ' ' PHE . 5.8 t -62.86 -179.81 0.31 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.9 -43.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.83 159.08 15.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.018 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -111.7 -14.59 13.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.006 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.1 t 178.48 179.65 0.35 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.04 0.448 . . . . 0.0 110.874 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -49.04 -52.06 27.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.068 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 p -62.63 -20.66 65.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.787 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.03 -35.25 44.84 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.438 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 m -76.41 148.0 79.78 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.885 0.374 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -82.06 -176.13 2.86 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 122.283 1.989 . . . . 0.0 113.254 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 46.42 -97.94 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.537 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -150.16 16.8 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-O 121.055 0.455 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.4 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 34.7 mt-30 -79.94 143.5 34.14 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.166 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 10.6 mptt -89.56 174.05 7.98 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.258 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.7 t -112.96 98.25 7.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.758 0.313 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -135.05 -175.03 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -101.05 77.5 1.83 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -148.59 145.87 28.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.21 -68.0 0.24 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.591 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -145.72 45.27 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.33 -178.48 2.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.402 ' HB3' ' CA ' ' A' ' 22' ' ' THR . 69.9 m-85 60.46 -176.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.9 mmt -89.87 88.89 7.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.6 p -109.59 -176.61 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.801 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 84.1 m -90.49 146.13 24.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.815 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -140.41 179.04 6.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.063 -179.766 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 47' ' ' THR . 60.4 m -89.75 135.14 30.92 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.661 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.437 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 70.5 Cg_endo -74.51 131.5 14.99 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.424 2.083 . . . . 0.0 112.479 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.406 HG23 ' HD2' ' A' ' 51' ' ' PRO . 13.3 p -108.84 136.1 20.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.068 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 50' ' ' VAL . 58.1 Cg_endo . . . . . 0 C--O 1.25 1.086 0 C-N-CA 122.486 2.124 . . . . 1.0 112.31 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.0 m120 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.82 0.343 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 60.6 103.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.63 -59.4 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.17 -60.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.22 -134.39 7.52 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.464 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.09 -163.99 1.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.915 0.388 . . . . 0.0 110.772 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.8 t -77.21 138.31 64.54 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -82.75 153.97 15.28 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.513 2.142 . . . . 0.0 112.382 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.78 -64.52 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.6 mmt -119.1 128.51 54.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.1 t 166.26 171.72 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.664 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 62.89 86.62 0.14 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.44 -17.23 30.57 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.585 2.19 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.563 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.6 mp -71.43 135.78 84.03 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.23 111.38 3.29 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.494 2.129 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.581 ' O ' HD11 ' A' ' 19' ' ' ILE . 87.5 Cg_endo -86.39 46.35 1.55 Allowed 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.688 2.259 . . . . 0.0 112.469 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.96 103.49 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.324 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.57 87.07 1.55 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.675 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.581 HD11 ' O ' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -139.14 28.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.772 0.32 . . . . 0.0 110.867 179.787 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.25 177.51 8.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.125 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 tptp 65.43 119.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.9 t -57.18 177.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.54 -47.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.478 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.7 p -116.58 173.75 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 111.378 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -124.04 -4.68 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.221 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.6 t 172.6 171.25 0.12 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.023 0.44 . . . . 0.0 110.94 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -43.88 -59.35 2.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -21.36 49.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.701 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.27 -56.43 13.85 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.489 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 m -61.14 149.44 82.27 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-O 120.9 0.381 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -81.66 -172.85 1.58 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 122.356 2.038 . . . . 0.0 113.537 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 50.77 -100.55 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.8 m -153.52 21.33 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-O 120.945 0.402 . . . . 0.0 110.375 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.414 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 14.9 mt-30 -83.42 142.21 31.14 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.423 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 0.2 OUTLIER -89.69 176.1 6.99 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 -179.655 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 70.3 m -117.07 117.0 28.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.722 0.296 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -135.78 -176.43 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 41.48 1.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.139 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -90.07 54.93 2.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.71 -122.22 0.6 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.583 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 m -96.25 25.67 4.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.74 -23.16 37.21 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.508 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -75.91 -167.95 0.81 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.18 111.34 23.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.6 p -122.69 167.3 13.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.936 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 57.3 m -72.5 137.06 46.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.177 0.513 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 t -140.12 161.13 38.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.039 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.8 m -68.21 128.36 93.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 60.6 Cg_endo -72.35 131.47 17.73 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.532 2.155 . . . . 0.0 112.375 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.405 HG23 ' HD2' ' A' ' 51' ' ' PRO . 13.6 p -109.28 135.85 20.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.025 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HD2' HG23 ' A' ' 50' ' ' VAL . 55.3 Cg_endo . . . . . 0 C--O 1.248 0.986 0 C-N-CA 122.528 2.152 . . . . 1.0 112.239 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.912 0.387 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 61.07 97.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.007 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -94.35 -69.07 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.43 -55.91 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.07 -134.11 7.47 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.36 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.04 -170.59 3.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.947 0.403 . . . . 0.0 110.571 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -83.8 135.01 43.32 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.788 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.69 -173.73 1.45 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.455 2.103 . . . . 0.0 112.407 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.45 -54.84 2.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.2 mtt -91.95 125.48 36.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.5 t 167.06 111.73 0.01 OUTLIER 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.696 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 mtp -144.11 88.4 7.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -51.97 176.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.514 2.143 . . . . 0.0 112.329 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mp -134.61 72.42 69.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.31 114.38 3.98 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.614 2.209 . . . . 0.0 112.256 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -83.07 44.06 1.59 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.644 2.229 . . . . 0.0 112.73 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 tp -114.36 -65.35 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.79 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.69 -120.73 1.72 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.294 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.58 HG22 ' O ' ' A' ' 19' ' ' ILE . 3.6 mt -125.17 2.68 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.686 0.279 . . . . 0.0 111.562 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 171.66 151.54 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.759 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -161.89 120.56 2.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.463 ' HB ' ' CD1' ' A' ' 43' ' ' PHE . 7.3 t -68.25 -176.95 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mt -169.63 -57.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.276 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.0 p -108.62 170.94 7.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.154 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -113.0 -19.46 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.88 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.11 -177.71 0.17 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.122 0.487 . . . . 0.0 110.837 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -53.12 -41.28 64.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.8 m -70.47 -19.81 62.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.7 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.58 -33.82 33.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.551 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.2 m -75.55 140.47 71.88 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.944 0.402 . . . . 0.0 111.155 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -86.75 -173.09 1.08 Allowed 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 122.301 2.001 . . . . 0.0 113.234 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 50.82 -90.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.325 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.8 p -161.74 25.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.136 0.493 . . . . 0.0 110.681 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -88.06 141.88 28.22 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.41 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -89.75 152.82 21.12 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.886 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.9 t -99.68 95.77 7.18 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.94 0.4 . . . . 0.0 110.755 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.17 -175.33 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.961 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -164.57 1.06 Allowed 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.516 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -177.62 -50.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.75 -111.54 2.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.562 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.1 p -55.16 -26.95 42.13 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.776 0.322 . . . . 0.0 111.212 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.14 37.31 0.7 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.463 ' CD1' ' HB ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -87.33 -169.2 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.0 mmt -115.24 108.5 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.2 p -137.19 163.2 31.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.785 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.1 m -85.42 139.39 31.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.23 0.538 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.5 t -140.6 176.33 8.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.2 m -74.66 132.62 77.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.759 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.71 137.65 25.2 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.469 2.113 . . . . 0.0 112.295 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.3 p -108.25 137.55 19.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo . . . . . 0 C--O 1.249 1.065 0 C-N-CA 122.469 2.113 . . . . 1.0 112.278 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.807 0.337 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 169.51 129.86 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.31 -65.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.781 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.66 -63.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.779 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.69 -135.03 6.55 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.315 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.45 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -150.27 -162.68 1.6 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.851 0.358 . . . . 0.0 110.734 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -66.03 137.99 96.07 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.41 ' HA ' HG11 ' A' ' 50' ' ' VAL . 14.5 Cg_endo -56.92 -74.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.573 2.182 . . . . 0.0 112.248 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.28 30.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.37 -169.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.37 -175.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 62.97 58.22 2.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.88 121.18 7.39 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.556 2.171 . . . . 0.0 112.26 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.51 ' O ' HG22 ' A' ' 14' ' ' ILE . 4.3 mt -127.43 53.16 9.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.42 111.38 3.25 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.646 2.23 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -79.42 -44.48 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.521 2.147 . . . . 0.0 112.407 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -109.56 114.02 27.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.0 133.57 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.569 HG22 ' O ' ' A' ' 19' ' ' ILE . 22.5 mm -97.45 29.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 111.199 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 41' ' ' CYS . 2.5 t -176.76 49.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -141.39 118.51 11.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.841 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 t -52.16 163.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 45' ' ' THR . 0.2 OUTLIER -113.92 -49.97 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.352 -179.722 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.97 -178.62 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 111.305 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -99.74 -35.37 9.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.076 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.05 -174.78 2.12 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.288 0.566 . . . . 0.0 111.313 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -44.13 -54.66 5.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.661 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -66.91 -15.57 63.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.167 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.25 -41.61 25.81 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.83 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 1.6 m -67.61 142.96 96.53 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.846 0.355 . . . . 0.0 111.165 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 10.0 Cg_exo -71.37 -179.34 3.55 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.417 2.078 . . . . 0.0 113.105 -178.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 46.76 -91.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.665 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 33' ' ' VAL . 14.5 p -161.64 27.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.059 0.457 . . . . 0.0 110.369 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -86.29 144.46 27.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.18 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 4.6 mptt -93.28 156.1 17.02 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.392 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.71 96.47 7.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.899 0.38 . . . . 0.0 110.398 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.4 t -106.92 160.64 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.218 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -92.11 106.29 18.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.0 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -155.86 77.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.86 -108.83 0.31 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.439 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -97.58 26.24 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 111.169 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.23 21.51 62.54 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.801 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -109.7 -175.56 2.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.719 0.295 . . . . 0.0 110.799 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 mtt -111.87 106.53 15.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.208 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.403 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 3.4 t -112.59 159.85 18.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.682 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 65.4 m -74.74 134.4 41.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.438 0.637 . . . . 0.0 111.352 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.8 t -140.61 164.66 29.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.672 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.4 m -64.25 127.95 92.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.401 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 56.8 Cg_endo -70.69 130.89 18.91 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.441 2.094 . . . . 0.0 112.52 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 6' ' ' SER . 12.4 p -108.67 139.76 21.16 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.947 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--O 1.249 1.053 0 C-N-CA 122.428 2.085 . . . . 1.0 112.245 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.2 t30 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.827 0.346 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 60.17 100.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -103.13 -68.21 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.24 -57.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.85 -134.85 6.72 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.381 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.43 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -150.25 -168.93 3.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.041 0.448 . . . . 0.0 110.64 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.7 t -90.16 140.54 27.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.733 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.18 170.81 3.61 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.412 2.075 . . . . 0.0 112.126 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.7 p30 -139.32 60.43 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 18.1 mtp -148.54 -174.51 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.71 137.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mtt -86.43 155.03 57.07 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.85 155.61 14.05 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.652 2.234 . . . . 0.0 112.239 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.7 tt -128.39 132.41 24.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.071 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.98 104.5 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.54 2.16 . . . . 0.0 112.496 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.892 ' HA ' HD11 ' A' ' 19' ' ' ILE . 92.0 Cg_endo -83.93 47.75 2.36 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.66 2.24 . . . . 0.0 112.707 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.7 tp -75.82 80.71 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.836 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.92 106.36 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.411 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.892 HD11 ' HA ' ' A' ' 16' ' ' PRO . 3.6 mt -137.2 -130.99 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.6 p -91.12 -165.27 1.32 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.751 0.31 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 22' ' ' THR . 3.0 tmtt? -124.75 71.58 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.724 ' O ' HD12 ' A' ' 23' ' ' LEU . 12.4 t 44.18 -167.81 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.664 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -173.57 -56.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.165 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.4 p -104.34 159.65 15.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -111.88 -14.29 13.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.044 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t 178.1 179.17 0.34 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.991 0.424 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -49.24 -48.98 45.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.013 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -64.53 -20.64 66.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.12 -42.98 41.62 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.7 m -71.65 141.21 84.79 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.946 0.403 . . . . 0.0 111.059 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -86.61 -172.08 0.92 Allowed 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 122.342 2.028 . . . . 0.0 113.373 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 51.04 -99.5 0.07 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.319 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -148.71 16.6 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 120.958 0.408 . . . . 0.0 110.752 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.4 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 38.9 mt-30 -84.92 141.96 30.02 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.17 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 9.7 mptt -89.79 174.77 7.53 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.335 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.0 t -113.48 96.51 5.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.901 0.381 . . . . 0.0 110.722 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.06 -173.95 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.06 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -95.55 32.33 1.83 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.033 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -120.11 73.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.6 -44.2 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.404 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.633 ' HB2' HG21 ' A' ' 45' ' ' THR . 43.2 t -129.15 -78.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.72 0.295 . . . . 0.0 110.711 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.04 -39.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.62 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -94.9 -76.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.755 0.312 . . . . 0.0 111.033 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.15 88.33 1.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.633 HG21 ' HB2' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -108.01 -177.09 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.844 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 93.1 m -90.98 146.95 23.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.099 0.476 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 t -140.39 -175.85 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.981 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.1 m -85.33 136.69 37.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.17 128.69 13.23 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.571 2.18 . . . . 0.0 112.363 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 6' ' ' SER . 14.0 p -110.97 135.52 20.83 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.062 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.451 2.101 . . . . 0.0 112.317 179.925 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 10.7 t30 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.751 0.31 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 60.56 110.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.31 -50.6 5.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.0 t -160.97 -70.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.67 -133.41 7.1 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.462 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.06 -164.16 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.957 0.408 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 t -87.53 140.08 31.77 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.814 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HA ' HG11 ' A' ' 50' ' ' VAL . 32.7 Cg_exo -59.36 166.12 8.13 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.366 2.044 . . . . 0.0 112.251 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.96 52.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -103.95 -168.9 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.2 t 61.43 176.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.428 ' CB ' ' HD3' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -179.47 -52.82 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.963 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.428 ' HD3' ' CB ' ' A' ' 12' ' ' MET . 35.3 Cg_exo -59.96 165.73 9.83 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.43 2.087 . . . . 0.0 112.156 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.6 mt -119.81 69.91 13.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.06 114.41 3.97 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.593 2.195 . . . . 0.0 112.358 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.87 -26.46 27.02 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.406 2.07 . . . . 0.0 112.297 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.835 HD13 ' N ' ' A' ' 18' ' ' GLY . 1.0 OUTLIER -67.57 141.08 56.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.016 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.835 ' N ' HD13 ' A' ' 17' ' ' LEU . . . -58.36 -90.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.652 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.588 ' O ' HG23 ' A' ' 19' ' ' ILE . 0.1 OUTLIER 74.45 7.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.645 0.26 . . . . 0.0 111.623 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.6 p -159.87 177.87 10.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.764 0.316 . . . . 0.0 110.904 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -141.22 154.75 45.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.4 t -88.92 140.69 29.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.9 -39.74 1.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.333 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.9 p -110.31 172.12 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.401 . . . . 0.0 111.149 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -134.01 7.67 3.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.308 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t 169.49 170.92 0.05 OUTLIER 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.013 0.435 . . . . 0.0 110.819 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.58 -50.94 66.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.3 p -60.09 -23.08 63.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.49 -32.07 43.55 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.414 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 1.7 m -71.62 143.13 86.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.854 0.359 . . . . 0.0 111.205 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 7.4 Cg_exo -72.53 176.32 8.93 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 122.328 2.019 . . . . 0.0 112.85 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 45.5 -95.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.613 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.77 16.54 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 121.026 0.441 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.473 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 29.4 mt-30 -72.59 143.58 48.18 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.06 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -89.81 148.99 22.88 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.222 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.7 t -99.62 104.16 15.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.904 0.383 . . . . 0.0 110.75 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.31 -174.64 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -83.9 -9.93 58.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.446 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.32 -71.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -175.19 -64.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.42 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.2 p -60.19 -44.7 94.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.931 0.396 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.28 -162.76 30.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.432 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 59.69 -176.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.732 0.301 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -118.73 109.43 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.8 p -123.96 176.16 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 34' ' ' GLN . 96.0 m -96.68 144.46 26.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.8 t -140.81 171.65 13.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.093 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.8 m -76.07 117.98 67.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.724 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -51.98 135.06 50.77 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.481 2.12 . . . . 0.0 112.567 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' A' ' 8' ' ' PRO . 13.0 p -108.19 136.05 19.86 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.419 ' HD2' HG23 ' A' ' 50' ' ' VAL . 60.4 Cg_endo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.451 2.101 . . . . 0.0 112.25 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.6 m120 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.777 0.323 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 165.83 165.24 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.734 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -92.56 -57.64 2.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.9 m -150.6 -61.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.63 -133.55 8.07 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.572 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.03 -165.59 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.942 0.401 . . . . 0.0 110.82 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.9 t -84.68 139.59 37.89 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.764 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.736 ' HA ' HG21 ' A' ' 50' ' ' VAL . 36.5 Cg_exo -60.17 163.86 13.65 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.459 2.106 . . . . 0.0 112.274 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -96.31 -39.95 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.805 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.2 -46.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -44.39 137.85 3.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.471 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -166.63 107.65 0.67 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.88 105.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.453 2.102 . . . . 0.0 112.233 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 14' ' ' ILE . 17.3 tt -45.86 102.68 0.31 Allowed Pre-proline 0 CA--C 1.53 0.192 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.609 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.816 ' CG ' HD12 ' A' ' 19' ' ' ILE . 97.3 Cg_endo -90.06 106.34 0.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.966 2.444 . . . . 0.0 112.527 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.38 -29.61 9.2 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.555 2.17 . . . . 0.0 112.425 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.8 tp -76.68 77.46 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.13 102.11 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.718 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.816 HD12 ' CG ' ' A' ' 15' ' ' PRO . 1.0 OUTLIER -95.05 74.63 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-O 120.782 0.325 . . . . 0.0 110.83 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.422 ' HA ' ' CB ' ' A' ' 41' ' ' CYS . 0.8 OUTLIER -177.86 -38.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.049 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.54 135.22 46.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.202 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.42 ' HB ' ' CG ' ' A' ' 43' ' ' PHE . 4.6 t -79.29 170.53 16.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.817 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -161.3 -43.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 p -108.71 164.88 11.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.941 0.401 . . . . 0.0 111.268 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -127.42 3.6 6.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.017 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t 169.01 173.17 0.04 OUTLIER 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.91 0.386 . . . . 0.0 110.493 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -53.39 -41.57 66.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.04 -21.3 64.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.569 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.8 -37.76 38.4 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.368 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 33.9 m -71.71 148.16 92.4 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-O 120.962 0.411 . . . . 0.0 111.169 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -84.13 -177.51 3.06 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.362 2.041 . . . . 0.0 113.454 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 42.84 -94.43 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.795 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -144.9 2.16 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 120.853 0.358 . . . . 0.0 111.064 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.418 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 9.7 mt-30 -61.92 140.35 58.31 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 13.7 mptt -91.42 169.07 11.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.36 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.7 t -114.45 101.0 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.846 0.355 . . . . 0.0 110.439 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.64 -174.85 3.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -112.86 57.84 0.66 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.756 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -67.1 136.44 55.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.89 -97.84 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.685 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.422 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER -57.26 173.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 0.0 111.065 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.1 51.56 0.95 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.37 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.42 ' CG ' ' HB ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -129.9 -168.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.744 0.307 . . . . 0.0 110.767 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 14.6 mmm -113.27 91.67 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.022 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.1 p -110.1 168.15 9.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.71 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 93.7 m -90.66 145.74 24.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.145 0.497 . . . . 0.0 111.149 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.8 t -140.51 -175.46 4.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.764 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.7 m -83.04 137.98 42.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.788 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.47 136.11 27.89 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.403 2.069 . . . . 0.0 112.318 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.736 HG21 ' HA ' ' A' ' 8' ' ' PRO . 14.8 t -103.85 103.64 38.28 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.266 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo . . . . . 0 C--O 1.248 1.02 0 C-N-CA 122.512 2.142 . . . . 0.0 112.329 -179.949 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.9 t -144.85 -47.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.706 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.09 -134.2 4.85 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.24 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.01 -165.9 2.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.998 0.428 . . . . 0.0 110.707 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 t -85.86 137.71 35.6 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.971 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo . . . . . 0 C--N 1.346 0.413 0 C-N-CA 122.664 2.243 . . . . 0.0 112.424 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.708 0.289 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.2 p -104.31 162.24 13.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 111.07 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -114.25 -14.06 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.151 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.23 -177.78 0.24 Allowed 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.145 0.498 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.17 -52.56 43.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.4 p -64.58 -19.08 65.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.98 -35.42 44.53 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.1 m -74.67 145.7 82.26 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-O 120.868 0.366 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -82.95 -176.5 2.9 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.268 1.979 . . . . 0.0 113.16 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 49.35 -89.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.446 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.63 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.8 p -162.8 27.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.041 0.448 . . . . 0.0 110.506 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -88.25 144.14 26.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.295 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 7.1 mptt -89.82 150.81 22.08 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.079 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 20.3 t -99.63 104.34 16.1 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.948 0.404 . . . . 0.0 110.913 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.6 mtt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.74 0.305 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.5 t -113.36 177.01 4.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.032 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 78.7 m -90.18 142.72 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.166 0.507 . . . . 0.0 111.105 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 t -140.37 176.9 8.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.824 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.0 m -78.6 133.86 62.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 58.6 Cg_endo -71.48 130.57 17.45 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.48 2.12 . . . . 0.0 112.301 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.102 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -152.87 -70.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.06 -133.01 5.95 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.547 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.507 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -149.99 -164.67 2.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.952 0.406 . . . . 0.0 110.713 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 53.5 t -83.25 129.81 59.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.951 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 21.3 Cg_exo . . . . . 0 C--N 1.347 0.473 0 C-N-CA 122.465 2.11 . . . . 0.0 112.321 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.919 0.39 . . . . 0.0 110.738 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.7 p -106.2 157.15 17.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.968 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -102.28 -21.43 14.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t 177.52 -179.55 0.24 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.648 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -51.0 -38.26 50.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.99 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.3 p -70.58 -21.29 62.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.711 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.81 -30.16 36.45 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.1 m -77.82 145.43 70.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.93 0.395 . . . . 0.0 111.193 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -81.91 -178.38 4.1 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.222 1.948 . . . . 0.0 113.25 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 47.34 -91.16 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.585 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.634 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.9 p -160.43 24.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.107 0.48 . . . . 0.0 110.509 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.402 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 12.1 mt-30 -81.74 140.25 34.39 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.206 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 5.4 mptt -89.71 150.72 22.19 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.343 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.4 t -99.48 99.66 10.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.891 0.377 . . . . 0.0 110.704 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.109 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 mtp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.901 0.382 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 p -116.33 167.7 10.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 34' ' ' GLN . 63.7 m -94.45 139.05 31.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.8 t -140.54 -179.84 6.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.4 m -75.22 135.39 73.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.787 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 66.9 Cg_endo -73.59 138.84 27.39 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.505 2.137 . . . . 0.0 112.411 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.552 ' O ' HG13 ' A' ' 50' ' ' VAL . 15.0 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.36 -61.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.62 -133.49 6.74 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.386 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.567 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -150.18 -166.0 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.102 0.477 . . . . 0.0 110.793 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.2 t -88.12 140.32 30.72 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.744 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo . . . . . 0 C--N 1.347 0.467 0 C-N-CA 122.452 2.101 . . . . 0.0 112.15 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.539 HD11 ' SG ' ' A' ' 46' ' ' CYS . 1.8 pp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.626 0.25 . . . . 0.0 111.484 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.4 p -110.3 164.17 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.008 0.432 . . . . 0.0 111.263 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.15 -12.54 10.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.041 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.4 t 177.05 178.62 0.25 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.906 0.384 . . . . 0.0 110.697 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -51.6 -44.3 62.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -68.33 -19.96 64.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.62 -30.51 39.71 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.634 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.2 m -74.56 144.91 81.42 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.948 0.404 . . . . 0.0 111.25 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 33' ' ' VAL . 98.5 Cg_endo -82.7 -178.31 3.86 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.278 1.986 . . . . 0.0 113.08 -179.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 47.4 -90.21 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.52 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.628 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.8 p -161.35 26.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.149 0.5 . . . . 0.0 110.515 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -84.22 144.15 29.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.07 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.404 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 6.1 mptt -89.65 147.74 23.72 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.061 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.1 t -99.42 103.38 15.16 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.0 0.429 . . . . 0.0 110.581 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.149 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.0 mmt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.895 0.379 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.417 HG22 ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -124.57 169.96 11.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.539 ' SG ' HD11 ' A' ' 23' ' ' LEU . 94.9 m -96.4 143.98 26.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.16 0.505 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.6 t -140.56 -177.12 4.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.3 m -81.94 136.94 46.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 56.5 Cg_endo -70.27 134.38 26.77 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.507 2.138 . . . . 0.0 112.27 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 6' ' ' SER . 14.5 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.823 0.344 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -141.47 -65.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.78 -133.69 8.15 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.347 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -150.17 -166.25 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.934 0.397 . . . . 0.0 110.749 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t -71.65 136.73 83.15 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.46 ' CD ' HG21 ' A' ' 47' ' ' THR . 55.6 Cg_endo . . . . . 0 C--N 1.346 0.405 0 C-N-CA 122.42 2.08 . . . . 0.0 112.256 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.676 0.274 . . . . 0.0 111.366 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.4 159.87 17.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.0 0.428 . . . . 0.0 111.285 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -112.78 -13.22 13.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.976 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.33 -177.52 0.18 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.116 0.484 . . . . 0.0 110.813 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -51.47 -50.25 60.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.048 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.6 p -66.53 -18.63 65.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.795 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.9 -34.53 42.39 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.492 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 10.1 m -73.94 147.43 86.19 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.975 0.417 . . . . 0.0 111.232 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -84.17 -175.32 2.15 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.36 2.04 . . . . 0.0 113.21 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 45.08 -97.86 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.552 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -148.54 13.16 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-O 120.959 0.409 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.411 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 9.7 mt-30 -76.47 143.73 40.31 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.093 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 14.5 mptt -89.73 170.6 10.3 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.283 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.0 t -114.82 101.69 9.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.838 0.351 . . . . 0.0 110.625 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.055 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.868 0.366 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.3 p -108.45 171.81 7.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 95.1 m -93.64 145.62 24.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.021 0.438 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.46 HG21 ' CD ' ' A' ' 8' ' ' PRO . 15.1 t -140.55 -174.24 3.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.824 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.4 m -81.7 137.84 47.43 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.776 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.32 126.86 13.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.467 2.111 . . . . 0.0 112.364 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.836 0.351 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.7 m -147.54 -70.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.95 -134.4 7.59 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.486 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -149.99 -163.79 1.86 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.905 0.383 . . . . 0.0 110.72 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.09 135.75 76.59 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--N 1.346 0.443 0 C-N-CA 122.412 2.075 . . . . 0.0 112.473 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.783 0.325 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.5 p -101.27 158.6 15.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.124 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -112.39 -14.24 13.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.959 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.54 -177.33 0.14 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.135 0.493 . . . . 0.0 110.85 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -49.57 -53.9 21.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -19.46 64.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.82 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.78 -36.26 48.33 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.611 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.479 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 7.8 m -79.55 140.8 55.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.755 0.312 . . . . 0.0 111.175 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 3.0 Cg_exo -74.67 -174.71 1.97 Allowed 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.354 2.036 . . . . 0.0 113.151 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 46.95 -95.71 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.505 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.638 ' O ' HG22 ' A' ' 33' ' ' VAL . 15.0 p -154.92 20.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.183 0.516 . . . . 0.0 110.594 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.437 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 14.5 mt-30 -82.16 143.0 31.74 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 7.0 mptt -89.69 172.4 8.96 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.4 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.5 t -113.7 102.17 10.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.6 mmt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.847 0.356 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.6 p -114.28 178.09 4.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 89.2 m -87.47 146.29 25.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.74 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.45 176.57 8.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.958 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.3 m -81.47 133.97 52.15 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.864 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 60.5 Cg_endo -72.2 125.4 10.8 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.467 2.112 . . . . 0.0 112.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 6' ' ' SER . 10.6 p . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.1 t -141.65 -56.01 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.716 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.38 -133.85 8.26 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.229 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.09 -170.47 3.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.162 0.506 . . . . 0.0 110.719 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.0 t -86.25 138.11 34.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.681 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.57 ' HA ' HG21 ' A' ' 50' ' ' VAL . 73.8 Cg_endo . . . . . 0 C--N 1.345 0.388 0 C-N-CA 122.541 2.161 . . . . 0.0 112.328 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.748 0.309 . . . . 0.0 111.228 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.9 p -113.0 164.22 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.201 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.51 -17.35 12.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.87 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.26 177.9 1.79 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.025 0.44 . . . . 0.0 110.776 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -53.7 -46.87 70.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.5 p -62.62 -23.0 66.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.675 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.0 -32.14 40.88 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.417 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 m -68.84 144.1 95.48 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.895 0.379 . . . . 0.0 111.237 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' VAL . 78.1 Cg_endo -81.39 179.85 5.51 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.152 1.901 . . . . 0.0 112.974 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 46.59 -89.46 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.609 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.632 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.9 p -162.29 28.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.26 0.553 . . . . 0.0 110.414 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -83.96 146.5 27.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.19 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.53 147.4 23.99 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.842 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.9 t -99.32 90.67 4.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.103 0.477 . . . . 0.0 110.326 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.008 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.743 0.306 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.7 p -116.86 170.19 8.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.4 m -90.84 141.82 28.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.317 0.58 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 t -140.6 178.97 6.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.755 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.9 m -70.83 130.67 88.26 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.69 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.434 ' HG3' HG13 ' A' ' 33' ' ' VAL . 54.2 Cg_endo -69.96 133.83 26.11 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.442 2.095 . . . . 0.0 112.251 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.57 HG21 ' HA ' ' A' ' 8' ' ' PRO . 3.4 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.5 p -151.47 -60.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.61 -133.81 7.83 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.406 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.25 -164.12 1.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.934 0.397 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.6 t -89.81 138.15 28.05 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo . . . . . 0 N--CA 1.461 -0.43 0 C-N-CA 122.605 2.203 . . . . 0.0 112.368 179.907 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.674 0.273 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.0 p -123.49 162.14 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 111.441 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -114.63 -14.13 12.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.75 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.78 177.92 1.04 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 120.966 0.413 . . . . 0.0 110.793 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -52.32 -44.18 64.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.4 m -69.22 -19.59 63.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.676 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.43 -38.62 37.96 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.521 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 6.0 m -69.9 147.8 96.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.95 0.405 . . . . 0.0 111.304 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -82.22 -178.57 4.13 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.27 1.98 . . . . 0.0 113.077 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 43.95 -93.43 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.674 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 m -147.64 5.01 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-O 120.842 0.353 . . . . 0.0 111.072 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 32.4 mt-30 -61.46 141.37 57.73 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 14.1 mptt -89.81 168.47 12.05 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.927 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.0 t -112.92 99.33 7.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.91 0.386 . . . . 0.0 110.656 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.958 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.865 0.364 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.3 p -120.31 176.76 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.721 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 65.3 m -83.22 147.31 28.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.113 0.482 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 t -140.44 167.2 22.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.6 m -77.54 114.9 45.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.691 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.2 131.98 37.41 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.365 2.043 . . . . 0.0 112.38 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.001 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.833 0.349 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.1 m -145.67 -65.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.27 -133.91 8.28 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.398 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.655 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -150.13 -163.49 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.991 0.424 . . . . 0.0 110.974 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.7 t -88.01 138.36 30.99 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.688 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo . . . . . 0 C--N 1.346 0.403 0 C-N-CA 122.471 2.114 . . . . 0.0 112.346 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.851 0.357 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 p -105.67 163.29 12.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.257 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -111.88 -16.78 13.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.019 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.95 -177.57 0.15 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.154 0.502 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -50.22 -52.29 37.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 p -65.92 -17.92 64.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.04 -29.49 46.15 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.62 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 4.1 m -75.57 143.12 75.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 120.884 0.373 . . . . 0.0 111.424 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 8.4 Cg_exo -71.69 174.87 10.4 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.381 2.054 . . . . 0.0 112.983 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 47.74 -91.72 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.565 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.633 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.9 p -158.85 22.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.126 0.489 . . . . 0.0 110.709 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -77.2 145.76 37.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -89.63 150.12 22.52 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.113 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.4 t -99.58 95.13 6.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.005 0.431 . . . . 0.0 110.875 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.832 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.757 0.313 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.9 p -110.32 167.47 10.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 76.2 m -93.6 140.92 29.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.186 0.517 . . . . 0.0 111.079 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.2 t -140.69 -172.16 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.6 m -82.97 138.6 42.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.9 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.54 136.66 34.14 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.587 2.192 . . . . 0.0 112.267 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 6' ' ' SER . 7.6 p . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.056 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.793 0.33 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -138.43 -72.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.95 -131.61 4.57 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.521 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 p -149.93 -165.33 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.812 0.339 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.5 t -78.98 139.72 57.38 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.704 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo . . . . . 0 N--CA 1.461 -0.425 0 C-N-CA 122.538 2.159 . . . . 0.0 112.309 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 24' ' ' CYS . 3.5 pp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.583 0.23 . . . . 0.0 111.322 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.85 ' N ' HD12 ' A' ' 23' ' ' LEU . 22.6 p -115.94 173.47 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 111.221 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -115.67 -19.63 10.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.198 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t 179.56 178.29 0.54 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.986 0.422 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -43.1 -59.59 1.98 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.579 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -20.42 52.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.53 -54.54 12.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.804 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 1.4 m -60.02 143.21 88.37 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 120.879 0.371 . . . . 0.0 111.153 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 12.5 Cg_exo -70.27 -175.98 1.47 Allowed 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.4 2.067 . . . . 0.0 113.186 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 48.29 -99.37 0.05 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.468 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 m -154.11 24.9 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-O 121.081 0.467 . . . . 0.0 110.229 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -83.45 142.8 30.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.334 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 0.0 OUTLIER -89.74 172.66 8.76 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.28 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.4 m -114.24 110.62 20.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.867 0.365 . . . . 0.0 110.978 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.2 mmt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.853 0.359 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.9 p -115.04 168.3 10.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 81.8 m -75.48 138.85 41.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.181 0.515 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 t -137.25 153.71 50.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.3 m -59.54 125.94 81.08 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.045 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.27 123.87 12.89 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.588 2.192 . . . . 0.0 112.213 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.4 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.014 179.888 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.753 0.311 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -153.87 -63.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.285 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.55 -133.74 8.22 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.658 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.577 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -150.05 -164.93 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.875 0.369 . . . . 0.0 110.649 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 47.9 t -77.88 141.0 63.15 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.809 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.567 ' HA ' HG11 ' A' ' 50' ' ' VAL . 16.2 Cg_exo . . . . . 0 C--N 1.346 0.438 0 C-N-CA 122.458 2.106 . . . . 0.0 112.223 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.507 HD21 HG22 ' A' ' 45' ' ' THR . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.622 0.248 . . . . 0.0 111.2 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 p -104.85 158.45 16.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.027 0.442 . . . . 0.0 111.349 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.01 -10.57 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.914 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.49 -177.84 0.15 Allowed 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.037 0.446 . . . . 0.0 110.674 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.79 -49.24 63.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -67.26 -18.58 65.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.13 -36.51 40.27 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.3 m -73.91 146.58 85.37 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.982 0.42 . . . . 0.0 111.241 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.99 -175.24 2.15 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.285 1.99 . . . . 0.0 113.07 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 46.73 -91.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.482 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.637 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.9 p -159.41 25.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.12 0.486 . . . . 0.0 110.565 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -85.82 146.92 26.54 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 12.0 mptt -89.6 170.4 10.51 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.926 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t -113.43 98.26 6.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.842 0.353 . . . . 0.0 110.8 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.9 mmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.868 0.366 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.507 HG22 HD21 ' A' ' 23' ' ' LEU . 81.8 p -114.06 173.41 6.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 66.9 m -90.16 148.4 22.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.211 0.529 . . . . 0.0 111.171 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.54 -177.79 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.864 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.1 m -89.48 138.42 28.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.627 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.77 118.26 5.58 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.447 2.098 . . . . 0.0 112.442 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 6' ' ' SER . 7.1 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.865 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.832 0.349 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 p -149.57 -62.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.99 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.96 -133.6 8.17 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.55 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.449 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -149.89 -164.82 2.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.956 0.408 . . . . 0.0 110.783 -179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -80.56 141.53 52.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo . . . . . 0 C--N 1.347 0.5 0 C-N-CA 122.594 2.196 . . . . 0.0 112.238 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.713 0.292 . . . . 0.0 111.268 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.1 p -107.45 170.9 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 111.209 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -111.39 -22.46 11.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.817 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.09 178.79 1.08 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -44.53 -59.21 2.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -60.23 -20.41 58.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.71 -54.25 26.64 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.475 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -59.99 149.24 74.74 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 120.922 0.391 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.66 179.4 6.55 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.206 1.938 . . . . 0.0 113.32 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 52.99 -88.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.373 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.613 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.5 p -166.29 29.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.13 0.49 . . . . 0.0 110.299 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -85.32 142.65 29.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.317 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 6.1 mptt -89.67 168.9 11.76 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.093 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.9 m -112.11 114.87 27.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.7 mmt . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.851 0.357 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.0 p -109.75 165.9 11.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.0 m -76.87 137.68 39.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.123 0.487 . . . . 0.0 110.987 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.7 t -139.98 148.37 41.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.76 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.0 m -58.51 129.72 84.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 56.1 Cg_endo -70.06 127.26 14.11 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.412 2.075 . . . . 0.0 112.236 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 6' ' ' SER . 12.2 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.842 0.353 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -154.41 -70.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.63 -134.18 8.18 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.26 -166.82 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.09 0.471 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.2 t -83.62 140.05 41.09 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.698 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.508 ' HB3' HG21 ' A' ' 50' ' ' VAL . 55.7 Cg_endo . . . . . 0 C--N 1.346 0.447 0 C-N-CA 122.386 2.057 . . . . 0.0 112.264 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.754 0.311 . . . . 0.0 111.317 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.9 p -96.05 164.67 12.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.942 0.401 . . . . 0.0 111.23 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -117.34 -12.02 10.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.17 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 t 176.78 178.64 0.23 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.924 0.392 . . . . 0.0 110.685 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -51.21 -46.15 62.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m -66.49 -20.84 66.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.653 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.15 -44.89 42.9 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.409 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 33.5 m -70.91 137.76 85.14 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.919 0.39 . . . . 0.0 111.002 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.73 -170.2 0.69 Allowed 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.161 1.908 . . . . 0.0 113.283 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 52.71 -90.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.31 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.634 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.8 p -161.77 24.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.989 0.423 . . . . 0.0 110.729 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.456 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 17.9 mt-30 -91.35 145.7 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.335 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 11.0 mptt -89.65 176.23 6.95 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.299 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.1 t -123.4 103.29 8.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.979 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.774 0.321 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.56 175.68 5.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 95.8 m -85.85 146.69 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.023 0.439 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.1 t -140.56 174.47 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.231 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.4 m -87.32 123.43 69.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.42 138.29 65.33 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.45 2.1 . . . . 0.0 112.55 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 8' ' ' PRO . 7.5 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.269 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.87 0.366 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.7 p -140.11 -62.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -108.31 -134.3 7.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.407 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.493 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -150.03 -164.43 2.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.842 0.353 . . . . 0.0 110.822 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -80.13 139.74 52.99 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo . . . . . 0 C--N 1.347 0.457 0 C-N-CA 122.482 2.121 . . . . 0.0 112.151 179.88 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.593 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.2 pp . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.627 0.251 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.5 p -119.92 162.66 18.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.938 0.399 . . . . 0.0 111.18 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -115.47 -14.25 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.189 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t 178.05 178.91 0.34 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.045 0.45 . . . . 0.0 110.825 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -49.76 -47.77 50.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -63.76 -21.95 66.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.635 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.92 -40.25 44.49 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.439 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.0 m -76.99 143.04 69.9 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.906 0.384 . . . . 0.0 111.053 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -86.38 -171.61 0.86 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.398 2.066 . . . . 0.0 113.346 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 49.19 -93.9 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.439 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.629 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.8 p -155.98 20.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.04 0.448 . . . . 0.0 110.677 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 14.2 mt-30 -84.43 142.06 30.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 11.3 mptt -89.54 173.11 8.51 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.117 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.3 t -109.43 87.7 2.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.835 0.35 . . . . 0.0 111.05 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.657 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.1 mtt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.917 0.389 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.0 p -121.45 174.6 6.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.469 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.593 ' SG ' HD11 ' A' ' 23' ' ' LEU . 86.9 m -80.79 145.27 31.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.115 0.483 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -140.44 178.87 7.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.954 -179.684 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.464 ' H ' HG22 ' A' ' 47' ' ' THR . 23.3 m -83.82 135.07 43.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.4 129.0 15.23 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.438 2.092 . . . . 0.0 112.274 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 6' ' ' SER . 13.8 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.03 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.912 0.387 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.1 m -144.94 -74.66 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.28 -132.81 6.35 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 p -150.08 -174.76 4.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.005 0.431 . . . . 0.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.3 t -75.91 137.9 69.48 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.788 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 C--N 1.346 0.436 0 C-N-CA 122.364 2.043 . . . . 0.0 112.206 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.703 0.287 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.83 159.08 15.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.018 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -111.7 -14.59 13.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.006 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.1 t 178.48 179.65 0.35 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.04 0.448 . . . . 0.0 110.874 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -49.04 -52.06 27.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.068 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 p -62.63 -20.66 65.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.787 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.03 -35.25 44.84 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.438 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 m -76.41 148.0 79.78 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.885 0.374 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -82.06 -176.13 2.86 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 122.283 1.989 . . . . 0.0 113.254 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 46.42 -97.94 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.537 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -150.16 16.8 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-O 121.055 0.455 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.422 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 12.6 mt-30 -79.94 143.5 34.14 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.166 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 10.6 mptt -89.56 174.05 7.98 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.258 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.7 t -112.96 98.25 7.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.758 0.313 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.9 mmt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.931 0.396 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.6 p -109.59 -176.61 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.801 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 84.1 m -90.49 146.13 24.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.815 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -140.41 179.04 6.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.063 -179.766 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 47' ' ' THR . 60.4 m -89.75 135.14 30.92 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.661 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.437 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 70.5 Cg_endo -74.51 131.5 14.99 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.424 2.083 . . . . 0.0 112.479 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.3 p . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.068 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.77 0.319 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.17 -60.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.22 -134.39 7.52 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.464 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.09 -163.99 1.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.915 0.388 . . . . 0.0 110.772 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.8 t -77.21 138.31 64.54 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo . . . . . 0 C--N 1.346 0.405 0 C-N-CA 122.513 2.142 . . . . 0.0 112.382 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.654 0.264 . . . . 0.0 111.478 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.7 p -116.58 173.75 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 111.378 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -124.04 -4.68 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.221 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.6 t 172.6 171.25 0.12 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.023 0.44 . . . . 0.0 110.94 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -43.88 -59.35 2.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -21.36 49.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.701 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.27 -56.43 13.85 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.489 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 m -61.14 149.44 82.27 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-O 120.9 0.381 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -81.66 -172.85 1.58 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 122.356 2.038 . . . . 0.0 113.537 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 50.77 -100.55 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.8 m -153.52 21.33 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-O 120.945 0.402 . . . . 0.0 110.375 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.462 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 6.0 mt-30 -83.42 142.21 31.14 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.423 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 0.2 OUTLIER -89.69 176.1 6.99 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 -179.655 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 70.3 m -117.07 117.0 28.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.722 0.296 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.886 0.374 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.6 p -122.69 167.3 13.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.936 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.462 ' HB3' ' NE2' ' A' ' 34' ' ' GLN . 57.3 m -72.5 137.06 46.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.177 0.513 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 t -140.12 161.13 38.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.039 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.8 m -68.21 128.36 93.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 60.6 Cg_endo -72.35 131.47 17.73 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.532 2.155 . . . . 0.0 112.375 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.6 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.025 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.829 0.347 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.43 -55.91 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.07 -134.11 7.47 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.36 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.04 -170.59 3.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.947 0.403 . . . . 0.0 110.571 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -83.8 135.01 43.32 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.788 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 C--N 1.346 0.433 0 C-N-CA 122.455 2.103 . . . . 0.0 112.407 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.831 0.348 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.0 p -108.62 170.94 7.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.154 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -113.0 -19.46 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.88 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.11 -177.71 0.17 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.122 0.487 . . . . 0.0 110.837 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -53.12 -41.28 64.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.8 m -70.47 -19.81 62.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.7 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.58 -33.82 33.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.551 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.2 m -75.55 140.47 71.88 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.944 0.402 . . . . 0.0 111.155 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -86.75 -173.09 1.08 Allowed 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 122.301 2.001 . . . . 0.0 113.234 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 50.82 -90.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.325 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.642 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.8 p -161.74 25.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.136 0.493 . . . . 0.0 110.681 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -88.06 141.88 28.22 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.41 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -89.75 152.82 21.12 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.886 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.9 t -99.68 95.77 7.18 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.94 0.4 . . . . 0.0 110.755 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.961 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.0 mmt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.823 0.344 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.2 p -137.19 163.2 31.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.785 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.1 m -85.42 139.39 31.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.23 0.538 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.5 t -140.6 176.33 8.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.2 m -74.66 132.62 77.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.759 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.71 137.65 25.2 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.469 2.113 . . . . 0.0 112.295 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.3 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.05 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 0.0 110.781 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.66 -63.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.779 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.69 -135.03 6.55 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.315 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.45 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -150.27 -162.68 1.6 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.851 0.358 . . . . 0.0 110.734 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -66.03 137.99 96.07 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.41 ' HA ' HG11 ' A' ' 50' ' ' VAL . 14.5 Cg_endo . . . . . 0 C--N 1.345 0.394 0 C-N-CA 122.573 2.182 . . . . 0.0 112.248 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 45' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.545 0.212 . . . . 0.0 111.352 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.97 -178.62 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 111.305 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -99.74 -35.37 9.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.076 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.05 -174.78 2.12 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.288 0.566 . . . . 0.0 111.313 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -44.13 -54.66 5.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.661 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -66.91 -15.57 63.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.167 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.25 -41.61 25.81 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.83 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 1.6 m -67.61 142.96 96.53 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.846 0.355 . . . . 0.0 111.165 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 10.0 Cg_exo -71.37 -179.34 3.55 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.417 2.078 . . . . 0.0 113.105 -178.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 46.76 -91.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.665 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.622 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.5 p -161.64 27.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.059 0.457 . . . . 0.0 110.369 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -86.29 144.46 27.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.18 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 4.6 mptt -93.28 156.1 17.02 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.392 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.71 96.47 7.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.899 0.38 . . . . 0.0 110.398 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.218 -179.501 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 mtt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.803 0.335 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.403 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 3.4 t -112.59 159.85 18.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.682 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 65.4 m -74.74 134.4 41.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.438 0.637 . . . . 0.0 111.352 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.8 t -140.61 164.66 29.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.672 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.4 m -64.25 127.95 92.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.401 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 56.8 Cg_endo -70.69 130.89 18.91 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.441 2.094 . . . . 0.0 112.52 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 6' ' ' SER . 12.4 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.947 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.837 0.351 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.24 -57.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.85 -134.85 6.72 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.381 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.43 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -150.25 -168.93 3.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.041 0.448 . . . . 0.0 110.64 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.7 t -90.16 140.54 27.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.733 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo . . . . . 0 C--N 1.347 0.462 0 C-N-CA 122.412 2.075 . . . . 0.0 112.126 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.779 0.324 . . . . 0.0 111.165 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.4 p -104.34 159.65 15.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -111.88 -14.29 13.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.044 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t 178.1 179.17 0.34 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.991 0.424 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -49.24 -48.98 45.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.013 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -64.53 -20.64 66.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.12 -42.98 41.62 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.7 m -71.65 141.21 84.79 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.946 0.403 . . . . 0.0 111.059 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -86.61 -172.08 0.92 Allowed 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 122.342 2.028 . . . . 0.0 113.373 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 51.04 -99.5 0.07 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.319 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -148.71 16.6 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 120.958 0.408 . . . . 0.0 110.752 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.402 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 14.2 mt-30 -84.92 141.96 30.02 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.17 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 9.7 mptt -89.79 174.77 7.53 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.335 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.0 t -113.48 96.51 5.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.901 0.381 . . . . 0.0 110.722 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.06 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.747 0.308 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.01 -177.09 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 93.1 m -90.98 146.95 23.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.099 0.476 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 t -140.39 -175.85 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.981 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.1 m -85.33 136.69 37.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.17 128.69 13.23 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.571 2.18 . . . . 0.0 112.363 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 6' ' ' SER . 14.0 p . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.062 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.893 0.377 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.0 t -160.97 -70.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.67 -133.41 7.1 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.462 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.06 -164.16 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.957 0.408 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 t -87.53 140.08 31.77 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.814 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HA ' HG11 ' A' ' 50' ' ' VAL . 32.7 Cg_exo . . . . . 0 C--N 1.347 0.448 0 C-N-CA 122.366 2.044 . . . . 0.0 112.251 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.663 0.268 . . . . 0.0 111.333 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.9 p -110.31 172.12 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.401 . . . . 0.0 111.149 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.01 7.67 3.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.308 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t 169.49 170.92 0.05 OUTLIER 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.013 0.435 . . . . 0.0 110.819 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.58 -50.94 66.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.3 p -60.09 -23.08 63.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.49 -32.07 43.55 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.414 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 1.7 m -71.62 143.13 86.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.854 0.359 . . . . 0.0 111.205 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 7.4 Cg_exo -72.53 176.32 8.93 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 122.328 2.019 . . . . 0.0 112.85 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 45.5 -95.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.613 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.77 16.54 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 121.026 0.441 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.473 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 10.0 mt-30 -72.59 143.58 48.18 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.06 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -89.81 148.99 22.88 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.222 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.7 t -99.62 104.16 15.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.904 0.383 . . . . 0.0 110.75 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.881 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.8 p -123.96 176.16 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 34' ' ' GLN . 96.0 m -96.68 144.46 26.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.8 t -140.81 171.65 13.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.093 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.8 m -76.07 117.98 67.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.724 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -51.98 135.06 50.77 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.481 2.12 . . . . 0.0 112.567 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' A' ' 8' ' ' PRO . 13.0 p . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.81 0.338 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.9 m -150.6 -61.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.63 -133.55 8.07 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.572 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.03 -165.59 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.942 0.401 . . . . 0.0 110.82 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.9 t -84.68 139.59 37.89 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.764 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.736 ' HA ' HG21 ' A' ' 50' ' ' VAL . 36.5 Cg_exo . . . . . 0 C--N 1.347 0.452 0 C-N-CA 122.459 2.106 . . . . 0.0 112.274 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.704 0.287 . . . . 0.0 111.29 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 p -108.71 164.88 11.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.941 0.401 . . . . 0.0 111.268 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -127.42 3.6 6.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.017 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t 169.01 173.17 0.04 OUTLIER 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.91 0.386 . . . . 0.0 110.493 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -53.39 -41.57 66.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.04 -21.3 64.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.569 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.8 -37.76 38.4 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.368 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 33.9 m -71.71 148.16 92.4 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-O 120.962 0.411 . . . . 0.0 111.169 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -84.13 -177.51 3.06 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.362 2.041 . . . . 0.0 113.454 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 42.84 -94.43 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.795 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -144.9 2.16 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 120.853 0.358 . . . . 0.0 111.064 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.439 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 3.4 mt-30 -61.92 140.35 58.31 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 13.7 mptt -91.42 169.07 11.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.36 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.7 t -114.45 101.0 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.846 0.355 . . . . 0.0 110.439 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 14.6 mmm . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.911 0.386 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.1 p -110.1 168.15 9.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.71 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 93.7 m -90.66 145.74 24.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.145 0.497 . . . . 0.0 111.149 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.8 t -140.51 -175.46 4.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.764 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.7 m -83.04 137.98 42.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.788 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.47 136.11 27.89 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.403 2.069 . . . . 0.0 112.318 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.736 HG21 ' HA ' ' A' ' 8' ' ' PRO . 14.8 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.266 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.805 0.336 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 61.21 107.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.967 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.98 -60.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.9 t -144.85 -47.46 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.706 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.09 -134.2 4.85 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.24 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.01 -165.9 2.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.998 0.428 . . . . 0.0 110.707 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.0 t -85.86 137.71 35.6 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.971 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -82.94 85.8 1.54 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.664 2.243 . . . . 0.0 112.424 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -64.1 108.05 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -159.69 -45.81 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.8 m 60.72 27.73 17.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.42 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -72.82 -60.09 2.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 -179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 12' ' ' MET . 43.5 Cg_endo -68.41 121.38 8.33 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.459 2.106 . . . . 0.0 112.324 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mt -128.07 103.62 20.83 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.68 110.75 1.95 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.497 2.131 . . . . 0.0 112.374 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -74.41 -27.42 11.22 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.563 2.175 . . . . 0.0 112.285 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 tp -57.08 155.02 8.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.085 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.34 85.18 0.13 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.347 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 33.3 mt -135.32 97.18 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.751 0.31 . . . . 0.0 111.125 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.59 72.8 1.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.804 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.88 116.8 3.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.422 ' HB ' ' HB2' ' A' ' 43' ' ' PHE . 7.1 t -58.44 -175.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.403 HD23 ' C ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -160.77 -46.21 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.068 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.2 p -104.31 162.24 13.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 111.07 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -114.25 -14.06 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.151 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.23 -177.78 0.24 Allowed 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.145 0.498 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -51.17 -52.56 43.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 46.4 p -64.58 -19.08 65.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.98 -35.42 44.53 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.1 m -74.67 145.7 82.26 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-O 120.868 0.366 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -82.95 -176.5 2.9 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.268 1.979 . . . . 0.0 113.16 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 49.35 -89.99 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.446 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.63 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.8 p -162.8 27.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.041 0.448 . . . . 0.0 110.506 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -88.25 144.14 26.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.295 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 7.1 mptt -89.82 150.81 22.08 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.079 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 20.3 t -99.63 104.34 16.1 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.948 0.404 . . . . 0.0 110.913 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.61 -175.08 3.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.87 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -112.93 92.89 4.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -138.79 59.02 1.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.786 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.33 -109.23 0.23 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.568 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.5 t -98.63 25.5 6.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.312 . . . . 0.0 111.05 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.82 26.23 42.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.654 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.422 ' HB2' ' HB ' ' A' ' 22' ' ' THR . 0.2 OUTLIER -116.66 -176.39 2.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.931 0.395 . . . . 0.0 110.923 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.6 mtt -104.81 95.15 5.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.377 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.5 t -113.36 177.01 4.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.032 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 78.7 m -90.18 142.72 27.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.166 0.507 . . . . 0.0 111.105 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 t -140.37 176.9 8.39 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.824 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.0 m -78.6 133.86 62.39 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 58.6 Cg_endo -71.48 130.57 17.45 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.48 2.12 . . . . 0.0 112.301 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.452 HG23 ' HD2' ' A' ' 51' ' ' PRO . 10.5 p -106.86 136.53 19.43 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.102 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.452 ' HD2' HG23 ' A' ' 50' ' ' VAL . 57.0 Cg_endo . . . . . 0 C--O 1.248 1.007 0 C-N-CA 122.49 2.127 . . . . 1.0 112.241 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.817 0.341 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 61.65 149.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.952 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.85 -53.28 2.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -152.87 -70.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.06 -133.01 5.95 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.547 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.507 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -149.99 -164.67 2.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.952 0.406 . . . . 0.0 110.713 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.469 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 53.5 t -83.25 129.81 59.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.951 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 21.3 Cg_exo -65.43 148.71 88.21 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.465 2.11 . . . . 0.0 112.321 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 54.78 -176.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.131 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.4 tpp -140.52 -68.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -44.97 167.57 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.545 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 18.6 mtp -130.18 71.35 82.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.16 -19.44 41.68 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.602 2.202 . . . . 0.0 112.598 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.7 mm -70.91 132.92 86.42 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.066 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 82.1 Cg_endo -77.94 146.92 23.63 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.542 2.161 . . . . 0.0 112.312 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 50.5 Cg_exo -55.42 -29.07 66.82 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.509 2.14 . . . . 0.0 112.237 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.39 77.49 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 148.88 102.34 0.27 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.622 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 12.4 mt -151.78 107.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.892 0.377 . . . . 0.0 110.945 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 55.2 m -57.19 -80.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.039 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -179.89 170.32 1.22 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.841 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.436 ' HB ' ' CZ ' ' A' ' 43' ' ' PHE . 3.4 t -81.01 176.1 10.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -158.63 -50.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.738 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.7 p -106.2 157.15 17.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.968 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -102.28 -21.43 14.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 39.9 t 177.52 -179.55 0.24 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.648 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -51.0 -38.26 50.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.99 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.3 p -70.58 -21.29 62.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.711 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -81.81 -30.16 36.45 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 55.1 m -77.82 145.43 70.42 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.93 0.395 . . . . 0.0 111.193 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -81.91 -178.38 4.1 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.222 1.948 . . . . 0.0 113.25 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 47.34 -91.16 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.585 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.634 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.9 p -160.43 24.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.107 0.48 . . . . 0.0 110.509 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.402 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 12.1 mt-30 -81.74 140.25 34.39 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.206 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 5.4 mptt -89.71 150.72 22.19 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.343 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.4 t -99.48 99.66 10.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.891 0.377 . . . . 0.0 110.704 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.9 -174.79 3.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.109 -179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -102.43 105.7 16.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.865 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -176.68 177.22 1.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.97 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.94 -60.88 4.14 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.509 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 2.0 t -164.36 -67.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.761 0.315 . . . . 0.0 110.792 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.73 -157.15 1.11 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.349 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.438 ' CD2' ' HG3' ' A' ' 44' ' ' MET . 14.9 p90 -118.25 -10.25 10.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.609 0.242 . . . . 0.0 111.55 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.438 ' HG3' ' CD2' ' A' ' 43' ' ' PHE . 1.3 mtp -141.75 73.99 1.44 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.901 0.382 . . . . 0.0 110.952 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.0 p -116.33 167.7 10.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.402 ' HB3' ' HB3' ' A' ' 34' ' ' GLN . 63.7 m -94.45 139.05 31.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.8 t -140.54 -179.84 6.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.4 m -75.22 135.39 73.13 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.787 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.415 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 66.9 Cg_endo -73.59 138.84 27.39 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.505 2.137 . . . . 0.0 112.411 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.552 ' O ' HG13 ' A' ' 50' ' ' VAL . 15.0 p -109.75 116.45 54.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_exo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 122.447 2.098 . . . . 1.0 112.292 179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.781 0.324 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 62.27 117.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -90.01 -55.9 3.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.36 -61.38 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.981 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.62 -133.49 6.74 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.386 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.567 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -150.18 -166.0 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.102 0.477 . . . . 0.0 110.793 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 36.2 t -88.12 140.32 30.72 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.744 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -60.23 -162.91 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.452 2.101 . . . . 0.0 112.15 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -178.06 54.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.5 -72.43 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -42.83 124.97 3.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.717 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.427 ' N ' ' HD3' ' A' ' 13' ' ' PRO . 4.3 ttp -139.27 64.9 33.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.947 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 12' ' ' MET . 11.2 Cg_exo -70.89 146.84 54.23 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.755 2.303 . . . . 0.0 112.228 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.515 ' O ' HG22 ' A' ' 14' ' ' ILE . 2.7 mp -135.43 51.45 5.67 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.455 ' HG2' HG21 ' A' ' 19' ' ' ILE . 77.0 Cg_endo -77.23 114.74 3.82 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.587 2.191 . . . . 0.0 112.393 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -83.13 44.3 1.63 Allowed 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.613 2.209 . . . . 0.0 112.642 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 tp -101.62 -49.81 3.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.915 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.58 44.38 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.539 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.455 HG21 ' HG2' ' A' ' 15' ' ' PRO . 4.4 tt -83.74 3.03 3.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 120.817 0.342 . . . . 0.0 111.528 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 6.9 m -80.64 85.06 6.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.85 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 tttm -139.33 92.48 2.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.051 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.408 ' HB ' ' HB2' ' A' ' 43' ' ' PHE . 6.5 t -60.6 130.2 45.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.823 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.539 HD11 ' SG ' ' A' ' 46' ' ' CYS . 1.8 pp -122.07 -33.26 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.484 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 27.4 p -110.3 164.17 12.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.008 0.432 . . . . 0.0 111.263 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.15 -12.54 10.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.041 179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.4 t 177.05 178.62 0.25 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.906 0.384 . . . . 0.0 110.697 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -51.6 -44.3 62.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 p -68.33 -19.96 64.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.801 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.62 -30.51 39.71 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.634 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.2 m -74.56 144.91 81.42 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.948 0.404 . . . . 0.0 111.25 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' O ' ' N ' ' A' ' 33' ' ' VAL . 98.5 Cg_endo -82.7 -178.31 3.86 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 122.278 1.986 . . . . 0.0 113.08 -179.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 47.4 -90.21 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.52 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.628 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.8 p -161.35 26.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 121.149 0.5 . . . . 0.0 110.515 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -84.22 144.15 29.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.07 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.404 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 6.1 mptt -89.65 147.74 23.72 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.061 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.1 t -99.42 103.38 15.16 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.0 0.429 . . . . 0.0 110.581 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.52 -174.62 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.149 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -116.81 116.92 28.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.809 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -58.65 -65.22 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 177.88 -35.66 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.553 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.9 t -58.54 -43.94 89.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 128.14 47.71 0.17 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.495 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.408 ' HB2' ' HB ' ' A' ' 22' ' ' THR . 1.7 p90 -145.5 151.5 38.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.831 0.348 . . . . 0.0 110.844 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.0 mmt -90.01 110.75 21.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.2 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.417 HG22 ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -124.57 169.96 11.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.924 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.539 ' SG ' HD11 ' A' ' 23' ' ' LEU . 94.9 m -96.4 143.98 26.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.16 0.505 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.6 t -140.56 -177.12 4.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.3 m -81.94 136.94 46.99 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 56.5 Cg_endo -70.27 134.38 26.77 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.507 2.138 . . . . 0.0 112.27 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.567 HG12 ' O ' ' A' ' 6' ' ' SER . 14.5 p -105.53 134.64 19.6 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.093 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.486 2.124 . . . . 1.0 112.312 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.843 0.354 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 63.67 126.18 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.986 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -104.19 -66.34 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -141.47 -65.35 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.78 -133.69 8.15 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.347 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -150.17 -166.25 2.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.934 0.397 . . . . 0.0 110.749 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t -71.65 136.73 83.15 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.46 ' CD ' HG21 ' A' ' 47' ' ' THR . 55.6 Cg_endo -70.37 144.61 51.28 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.42 2.08 . . . . 0.0 112.256 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -111.38 179.37 4.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.995 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.8 ttt 64.43 15.51 9.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.291 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 p -50.77 178.41 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 111.403 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.32 143.22 38.81 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.767 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.65 106.09 1.21 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.491 2.127 . . . . 0.0 112.321 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.406 HG23 ' HD2' ' A' ' 15' ' ' PRO . 31.1 mm -99.76 136.65 20.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.055 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 57.8 Cg_endo -71.09 146.58 52.4 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.375 2.05 . . . . 0.0 112.321 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 15' ' ' PRO . 51.4 Cg_exo -54.05 -26.74 42.5 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.505 2.136 . . . . 0.0 112.325 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 tp -87.22 128.02 35.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.09 -36.58 4.29 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.64 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.3 mt -154.62 107.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.782 0.325 . . . . 0.0 111.08 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -172.92 99.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -176.37 121.63 0.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.8 t -75.34 122.06 23.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.61 -28.94 5.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.366 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 28.5 p -110.4 159.87 17.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.0 0.428 . . . . 0.0 111.285 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -112.78 -13.22 13.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.976 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.33 -177.52 0.18 Allowed 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 121.116 0.484 . . . . 0.0 110.813 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -51.47 -50.25 60.21 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.048 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.6 p -66.53 -18.63 65.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.795 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.9 -34.53 42.39 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.492 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 10.1 m -73.94 147.43 86.19 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.975 0.417 . . . . 0.0 111.232 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -84.17 -175.32 2.15 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.36 2.04 . . . . 0.0 113.21 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 45.08 -97.86 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.552 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -148.54 13.16 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-O 120.959 0.409 . . . . 0.0 110.832 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.411 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 9.7 mt-30 -76.47 143.73 40.31 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.093 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 14.5 mptt -89.73 170.6 10.3 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.283 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.0 t -114.82 101.69 9.29 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.838 0.351 . . . . 0.0 110.625 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.36 -175.27 3.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.055 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -113.05 67.85 0.67 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.923 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -86.76 157.41 19.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.59 -136.65 26.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.563 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.7 p -59.2 -43.67 92.26 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.851 0.357 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 155.99 -142.67 9.02 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.42 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 60.4 162.21 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.37 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.7 mmt -89.85 91.2 8.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.3 p -108.45 171.81 7.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 95.1 m -93.64 145.62 24.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.021 0.438 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.46 HG21 ' CD ' ' A' ' 8' ' ' PRO . 15.1 t -140.55 -174.24 3.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.824 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.4 m -81.7 137.84 47.43 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.776 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.32 126.86 13.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.467 2.111 . . . . 0.0 112.364 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.5 t -139.58 103.13 7.09 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.157 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.45 2.1 . . . . 1.0 112.288 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.852 0.358 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 60.41 85.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.797 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -97.99 -54.1 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.7 m -147.54 -70.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.95 -134.4 7.59 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.486 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -149.99 -163.79 1.86 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.905 0.383 . . . . 0.0 110.72 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -74.09 135.75 76.59 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.92 -44.19 2.11 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.412 2.075 . . . . 0.0 112.473 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 61.12 -170.38 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 59.4 -170.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.03 151.7 0.13 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.427 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -156.12 91.13 2.68 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.974 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.811 ' O ' HD13 ' A' ' 14' ' ' ILE . 25.3 Cg_exo -63.04 74.63 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.677 2.251 . . . . 0.0 112.157 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.811 HD13 ' O ' ' A' ' 13' ' ' PRO . 24.9 mm -140.3 91.01 10.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -46.09 103.55 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.751 2.301 . . . . 0.0 112.575 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -84.08 48.4 2.51 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.737 2.291 . . . . 0.0 112.504 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tp -81.59 -37.87 26.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.01 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -114.71 19.26 16.34 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.675 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.618 HD12 ' N ' ' A' ' 19' ' ' ILE . 2.8 mp -130.5 78.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.872 0.368 . . . . 0.0 111.092 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 m -123.33 40.05 3.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -149.76 161.35 42.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 t -87.52 165.91 15.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -152.49 -45.08 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.5 p -101.27 158.6 15.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.124 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -112.39 -14.24 13.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.959 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.54 -177.33 0.14 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.135 0.493 . . . . 0.0 110.85 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -49.57 -53.9 21.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.24 -19.46 64.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.82 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.78 -36.26 48.33 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.611 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.479 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 7.8 m -79.55 140.8 55.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-O 120.755 0.312 . . . . 0.0 111.175 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 3.0 Cg_exo -74.67 -174.71 1.97 Allowed 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.354 2.036 . . . . 0.0 113.151 -178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 46.95 -95.71 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.505 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.638 ' O ' HG22 ' A' ' 33' ' ' VAL . 15.0 p -154.92 20.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.183 0.516 . . . . 0.0 110.594 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.437 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 14.5 mt-30 -82.16 143.0 31.74 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.462 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 7.0 mptt -89.69 172.4 8.96 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.4 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.5 t -113.7 102.17 10.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.16 -175.64 3.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.999 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -87.36 -114.98 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.746 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.5 m120 64.94 130.77 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.839 0.352 . . . . 0.0 110.954 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 87.7 -145.01 19.22 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.463 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 52.9 t -101.06 -31.17 11.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -64.24 149.53 50.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -74.12 -65.19 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.6 mmt -127.88 92.17 3.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.6 p -114.28 178.09 4.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 89.2 m -87.47 146.29 25.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.74 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.45 176.57 8.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.958 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 62.3 m -81.47 133.97 52.15 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.864 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 60.5 Cg_endo -72.2 125.4 10.8 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.467 2.112 . . . . 0.0 112.294 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.486 HG12 ' O ' ' A' ' 6' ' ' SER . 10.6 p -106.2 138.96 19.85 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo . . . . . 0 C--O 1.249 1.071 0 C-N-CA 122.496 2.131 . . . . 1.0 112.34 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 28.0 m-80 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.755 0.312 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 168.06 42.67 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.71 -70.6 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.1 t -141.65 -56.01 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.716 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.38 -133.85 8.26 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.229 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.09 -170.47 3.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.162 0.506 . . . . 0.0 110.719 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.0 t -86.25 138.11 34.57 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.681 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.57 ' HA ' HG21 ' A' ' 50' ' ' VAL . 73.8 Cg_endo -77.67 172.93 14.93 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.541 2.161 . . . . 0.0 112.328 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -103.72 166.56 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.5 mtm -71.21 167.51 19.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.46 -35.9 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.765 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 43.5 mtt -125.03 110.6 27.15 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.818 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -68.29 156.41 65.79 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.435 2.09 . . . . 0.0 112.295 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.434 HG23 ' HD2' ' A' ' 15' ' ' PRO . 6.3 mt -128.31 136.32 28.89 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HD2' HG23 ' A' ' 14' ' ' ILE . 38.5 Cg_endo -66.59 110.43 1.86 Allowed 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.492 2.128 . . . . 0.0 112.328 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.54 -11.28 29.56 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.483 2.122 . . . . 0.0 112.538 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tt -59.25 -63.49 1.28 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.836 0.35 . . . . 0.0 111.163 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.05 19.05 56.35 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.835 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.0 mt -150.74 103.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.727 0.299 . . . . 0.0 111.068 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -159.6 -171.11 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.068 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 tttt 75.44 141.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.6 t -74.59 168.36 19.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.61 -47.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 24.9 p -113.0 164.22 13.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.201 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.51 -17.35 12.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.87 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.26 177.9 1.79 Allowed 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 121.025 0.44 . . . . 0.0 110.776 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -53.7 -46.87 70.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.919 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.5 p -62.62 -23.0 66.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.675 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.0 -32.14 40.88 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.417 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.3 m -68.84 144.1 95.48 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.895 0.379 . . . . 0.0 111.237 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 33' ' ' VAL . 78.1 Cg_endo -81.39 179.85 5.51 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.152 1.901 . . . . 0.0 112.974 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 46.59 -89.46 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.609 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.632 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.9 p -162.29 28.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.26 0.553 . . . . 0.0 110.414 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -83.96 146.5 27.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.19 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.53 147.4 23.99 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.842 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.9 t -99.32 90.67 4.63 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.103 0.477 . . . . 0.0 110.326 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -122.75 -174.13 2.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.008 -179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.76 96.69 7.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.775 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.06 -60.3 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -75.73 -150.0 2.68 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.565 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 25.2 p -64.26 78.26 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 120.794 0.331 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 58.77 -146.28 42.07 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.274 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 55.14 -176.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 111.003 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.23 107.5 14.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.7 p -116.86 170.19 8.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 94.4 m -90.84 141.82 28.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.317 0.58 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.0 t -140.6 178.97 6.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.755 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.9 m -70.83 130.67 88.26 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.69 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.434 ' HG3' HG13 ' A' ' 33' ' ' VAL . 54.2 Cg_endo -69.96 133.83 26.11 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.442 2.095 . . . . 0.0 112.251 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.57 HG21 ' HA ' ' A' ' 8' ' ' PRO . 3.4 t -95.46 126.52 45.44 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.102 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo . . . . . 0 C--O 1.249 1.032 0 C-N-CA 122.466 2.111 . . . . 1.0 112.306 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.811 0.339 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 60.77 109.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.961 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -102.37 -60.13 1.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.5 p -151.47 -60.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.61 -133.81 7.83 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.406 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.25 -164.12 1.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.934 0.397 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.6 t -89.81 138.15 28.05 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -82.66 156.02 15.95 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.605 2.203 . . . . 0.0 112.368 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -151.41 116.36 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.1 mtm -137.3 -79.15 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m 57.34 22.11 7.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.41 ' N ' ' HD2' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -79.98 -57.6 0.66 Allowed Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.139 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' ' 12' ' ' MET . 68.0 Cg_endo -75.1 -166.68 0.36 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.458 2.105 . . . . 0.0 112.493 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.493 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.3 mp -51.06 112.46 3.0 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.298 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_exo -51.87 130.96 36.44 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.488 2.125 . . . . 0.0 112.259 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -86.98 37.2 0.49 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.734 2.29 . . . . 0.0 112.681 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tp -61.36 143.5 55.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.732 0.301 . . . . 0.0 110.969 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 126.87 -11.79 6.94 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.824 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -97.34 80.41 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-O 120.851 0.357 . . . . 0.0 110.802 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.1 m -91.98 -164.45 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 72.85 133.17 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.998 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.8 t -75.6 -178.36 4.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.782 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -166.7 -42.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.0 p -123.49 162.14 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.009 0.433 . . . . 0.0 111.441 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -114.63 -14.13 12.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.75 179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.78 177.92 1.04 Allowed 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 120.966 0.413 . . . . 0.0 110.793 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -52.32 -44.18 64.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 68.4 m -69.22 -19.59 63.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.676 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.43 -38.62 37.96 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.521 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 6.0 m -69.9 147.8 96.13 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.95 0.405 . . . . 0.0 111.304 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -82.22 -178.57 4.13 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.27 1.98 . . . . 0.0 113.077 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 43.95 -93.43 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.674 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.6 m -147.64 5.01 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-O 120.842 0.353 . . . . 0.0 111.072 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.41 ' O ' ' CB ' ' A' ' 30' ' ' CYS . 32.4 mt-30 -61.46 141.37 57.73 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 14.1 mptt -89.81 168.47 12.05 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 116.092 -0.503 . . . . 0.0 109.927 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.0 t -112.92 99.33 7.8 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.91 0.386 . . . . 0.0 110.656 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.87 -174.8 3.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.958 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.91 89.59 3.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -122.84 153.07 40.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.2 -126.28 7.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.458 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.28 -64.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.367 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 167.7 -158.21 30.94 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 60.56 178.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.699 0.285 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.56 104.08 15.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.226 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.3 p -120.31 176.76 5.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.721 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 65.3 m -83.22 147.31 28.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.113 0.482 . . . . 0.0 110.924 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.4 t -140.44 167.2 22.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.094 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.6 m -77.54 114.9 45.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.691 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -51.2 131.98 37.41 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.365 2.043 . . . . 0.0 112.38 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.1 p -106.65 133.02 20.44 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 C--O 1.249 1.041 0 C-N-CA 122.444 2.096 . . . . 0.0 112.286 179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.875 0.369 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 62.76 148.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -106.64 -64.11 1.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.1 m -145.67 -65.39 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.27 -133.91 8.28 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.398 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.655 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -150.13 -163.49 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.991 0.424 . . . . 0.0 110.974 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.7 t -88.01 138.36 30.99 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.688 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -66.83 164.79 28.17 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.471 2.114 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.75 -160.6 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.77 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 76.48 -67.99 0.2 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.062 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.42 -166.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.758 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 12.6 ttt -176.53 100.59 0.24 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.9 119.63 6.54 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.435 2.09 . . . . 0.0 112.358 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.418 HG23 ' HD2' ' A' ' 15' ' ' PRO . 29.8 mt -149.18 136.76 11.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.024 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.418 ' HD2' HG23 ' A' ' 14' ' ' ILE . 23.5 Cg_endo -61.63 143.74 96.96 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.405 2.07 . . . . 0.0 112.088 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -82.55 8.47 4.53 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.682 2.255 . . . . 0.0 113.094 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.2 tt -90.76 95.29 10.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.817 0.342 . . . . 0.0 110.982 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 102.93 23.55 8.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.854 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.731 HG22 ' SG ' ' A' ' 41' ' ' CYS . 4.9 mm -109.06 -130.47 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 N-CA-C 110.496 -0.187 . . . . 0.0 110.496 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.1 m -117.04 -172.8 2.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.893 0.378 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -112.92 148.04 35.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.821 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 t -55.23 152.6 7.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.66 -47.51 1.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.165 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 p -105.67 163.29 12.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.257 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -111.88 -16.78 13.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.019 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.95 -177.57 0.15 Allowed 'General case' 0 N--CA 1.453 -0.314 0 CA-C-O 121.154 0.502 . . . . 0.0 110.869 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -50.22 -52.29 37.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.096 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 p -65.92 -17.92 64.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.04 -29.49 46.15 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.62 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 4.1 m -75.57 143.12 75.07 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 120.884 0.373 . . . . 0.0 111.424 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 8.4 Cg_exo -71.69 174.87 10.4 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.381 2.054 . . . . 0.0 112.983 -179.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 47.74 -91.72 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.565 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.633 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.9 p -158.85 22.03 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.126 0.489 . . . . 0.0 110.709 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -77.2 145.76 37.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -89.63 150.12 22.52 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.113 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.4 t -99.58 95.13 6.77 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.005 0.431 . . . . 0.0 110.875 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.39 -174.34 3.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.832 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -99.25 64.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.722 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -117.28 -38.92 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.05 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.97 -111.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.532 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.731 ' SG ' HG22 ' A' ' 19' ' ' ILE . 5.3 t -92.04 -52.65 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.748 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 175.42 176.77 43.96 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.682 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 62.97 -92.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.411 0.148 . . . . 0.0 111.121 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.12 94.0 2.08 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.757 0.313 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.722 HG21 ' H ' ' A' ' 41' ' ' CYS . 42.9 p -110.32 167.47 10.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.812 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 76.2 m -93.6 140.92 29.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.186 0.517 . . . . 0.0 111.079 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.2 t -140.69 -172.16 3.39 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.6 m -82.97 138.6 42.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.9 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.54 136.66 34.14 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.587 2.192 . . . . 0.0 112.267 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 6' ' ' SER . 7.6 p -99.85 135.78 20.39 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.056 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.515 2.143 . . . . 0.0 112.346 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 9.3 p30 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.794 0.33 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 62.45 118.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -90.24 -64.0 1.2 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -138.43 -72.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.95 -131.61 4.57 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.521 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 p -149.93 -165.33 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.812 0.339 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 17.5 t -78.98 139.72 57.38 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.704 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -82.87 164.66 15.66 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.538 2.159 . . . . 0.0 112.309 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -119.75 -50.52 2.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.423 ' O ' ' N ' ' A' ' 12' ' ' MET . 23.7 ptm 44.72 29.48 0.43 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.521 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.0 p 50.4 -88.48 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.454 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 10' ' ' MET . 24.6 ttt -73.49 114.82 35.37 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.918 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.32 -159.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.405 2.07 . . . . 0.0 112.172 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.2 tt -107.65 138.42 19.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.063 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -48.49 105.4 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.545 2.163 . . . . 0.0 112.343 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -73.98 46.62 1.34 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.933 2.422 . . . . 0.0 112.675 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.7 tt -84.48 -31.45 24.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.927 0.394 . . . . 0.0 110.863 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -144.73 19.78 2.0 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.686 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.2 mm -121.66 77.07 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.1 t -148.48 83.57 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.92 110.8 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.4 t -60.12 121.2 11.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.85 HD12 ' N ' ' A' ' 24' ' ' CYS . 3.5 pp -113.59 -27.01 8.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.322 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.85 ' N ' HD12 ' A' ' 23' ' ' LEU . 22.6 p -115.94 173.47 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.379 . . . . 0.0 111.221 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -115.67 -19.63 10.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.198 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t 179.56 178.29 0.54 Allowed 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 120.986 0.422 . . . . 0.0 110.912 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -43.1 -59.59 1.98 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.579 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -20.42 52.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -69.53 -54.54 12.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.804 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 1.4 m -60.02 143.21 88.37 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-O 120.879 0.371 . . . . 0.0 111.153 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 12.5 Cg_exo -70.27 -175.98 1.47 Allowed 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 122.4 2.067 . . . . 0.0 113.186 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 48.29 -99.37 0.05 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.468 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.9 m -154.11 24.9 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-O 121.081 0.467 . . . . 0.0 110.229 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -83.45 142.8 30.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.334 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 0.0 OUTLIER -89.74 172.66 8.76 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.28 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 88.4 m -114.24 110.62 20.23 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.867 0.365 . . . . 0.0 110.978 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -135.73 -175.15 3.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -96.44 40.83 1.12 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -83.89 71.54 10.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.954 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 147.5 100.73 0.26 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.524 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.6 t 61.58 -81.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.702 0.287 . . . . 0.0 110.992 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.13 77.32 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.513 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -164.12 175.7 9.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.755 0.312 . . . . 0.0 110.936 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.2 mmt -90.27 90.21 7.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.9 p -115.04 168.3 10.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 81.8 m -75.48 138.85 41.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.181 0.515 . . . . 0.0 110.819 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.0 t -137.25 153.71 50.29 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.828 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.3 m -59.54 125.94 81.08 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.045 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.27 123.87 12.89 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.588 2.192 . . . . 0.0 112.213 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.4 t -140.39 118.98 8.42 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.014 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo . . . . . 0 C--O 1.248 1.018 0 C-N-CA 122.432 2.088 . . . . 1.0 112.318 -179.914 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.81 0.338 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 166.86 150.09 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.617 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -93.58 -54.23 3.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.974 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.4 m -153.87 -63.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.285 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.55 -133.74 8.22 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.658 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.577 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -150.05 -164.93 2.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.875 0.369 . . . . 0.0 110.649 -179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 47.9 t -77.88 141.0 63.15 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.809 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.567 ' HA ' HG11 ' A' ' 50' ' ' VAL . 16.2 Cg_exo -68.82 -163.89 0.1 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.458 2.106 . . . . 0.0 112.223 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -168.82 80.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.678 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.1 ptm -97.24 -12.09 23.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.54 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.9 m 58.42 -157.42 0.31 Allowed 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.639 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.4 tpp 76.09 111.04 0.03 OUTLIER Pre-proline 0 N--CA 1.463 0.176 0 CA-C-O 120.673 0.273 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.742 ' O ' HD13 ' A' ' 14' ' ' ILE . 57.6 Cg_exo -52.32 176.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.56 2.173 . . . . 0.0 112.538 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.769 HG21 HD13 ' A' ' 19' ' ' ILE . 31.6 mm -142.21 137.54 15.82 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.457 ' HD2' HG23 ' A' ' 14' ' ' ILE . 40.8 Cg_endo -66.95 159.17 53.11 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.382 2.055 . . . . 0.0 112.011 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -88.68 25.61 0.62 Allowed 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 122.752 2.301 . . . . 0.0 112.432 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.7 tp -52.58 -66.05 0.45 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.112 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.66 35.62 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.613 -0.804 . . . . 0.0 112.665 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.769 HD13 HG21 ' A' ' 14' ' ' ILE . 5.5 tt -79.21 3.96 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.617 0 CA-C-O 120.837 0.351 . . . . 0.0 111.528 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -160.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.735 0.303 . . . . 0.0 111.045 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.1 118.39 0.06 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.61 ' C ' HD23 ' A' ' 23' ' ' LEU . 7.4 t -91.3 -176.09 4.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.61 HD23 ' C ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -164.05 -42.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.2 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.5 p -104.85 158.45 16.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.027 0.442 . . . . 0.0 111.349 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -115.01 -10.57 12.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.914 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.49 -177.84 0.15 Allowed 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.037 0.446 . . . . 0.0 110.674 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -51.79 -49.24 63.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -67.26 -18.58 65.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.13 -36.51 40.27 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.3 m -73.91 146.58 85.37 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.982 0.42 . . . . 0.0 111.241 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.99 -175.24 2.15 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.285 1.99 . . . . 0.0 113.07 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 46.73 -91.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.482 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.637 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.9 p -159.41 25.86 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.12 0.486 . . . . 0.0 110.565 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -85.82 146.92 26.54 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 12.0 mptt -89.6 170.4 10.51 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.926 179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t -113.43 98.26 6.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.842 0.353 . . . . 0.0 110.8 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -118.78 -175.07 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -89.13 -160.79 0.7 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.846 -179.755 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 51.4 p30 -169.85 -173.09 1.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.49 67.73 3.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.756 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 t -178.46 -46.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.739 0.304 . . . . 0.0 110.995 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.19 57.05 0.3 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.696 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.43 ' CD1' ' HB ' ' A' ' 22' ' ' THR . 1.4 m-85 -143.09 -174.5 4.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.67 0.271 . . . . 0.0 110.821 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.9 mmt -116.25 99.32 7.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.971 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.507 HG22 HD21 ' A' ' 23' ' ' LEU . 81.8 p -114.06 173.41 6.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.438 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 66.9 m -90.16 148.4 22.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.211 0.529 . . . . 0.0 111.171 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.54 -177.79 5.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.864 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.1 m -89.48 138.42 28.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.627 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.77 118.26 5.58 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.447 2.098 . . . . 0.0 112.442 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 6' ' ' SER . 7.1 p -103.32 135.96 19.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.865 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.466 ' HD2' HG23 ' A' ' 50' ' ' VAL . 48.2 Cg_endo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.386 2.057 . . . . 1.0 112.354 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.813 0.34 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 63.5 125.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.02 -54.03 3.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.957 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.3 p -149.57 -62.01 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.99 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -99.96 -133.6 8.17 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.55 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.449 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -149.89 -164.82 2.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.956 0.408 . . . . 0.0 110.783 -179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.9 t -80.56 141.53 52.52 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.931 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.62 -57.19 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.594 2.196 . . . . 0.0 112.238 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 66.88 45.3 1.88 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.807 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -113.4 -77.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 167.27 157.07 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.872 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.27 155.79 32.05 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.28 148.0 60.76 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.523 2.149 . . . . 0.0 112.363 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.1 mt -137.03 117.98 10.91 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.066 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.26 151.04 66.02 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.427 2.085 . . . . 0.0 112.358 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.28 -26.3 25.26 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.6 2.2 . . . . 0.0 112.233 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.3 tp -76.51 83.54 3.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.796 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.05 141.81 8.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.407 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.4 mp -94.13 -127.06 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 110.602 -0.147 . . . . 0.0 110.602 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.6 m -117.03 165.36 13.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.816 0.341 . . . . 0.0 110.939 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -177.84 137.28 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.2 t -58.57 164.36 2.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -152.53 -45.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.268 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.1 p -107.45 170.9 7.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 111.209 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -111.39 -22.46 11.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.817 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.09 178.79 1.08 Allowed 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -44.53 -59.21 2.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -60.23 -20.41 58.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.664 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.71 -54.25 26.64 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.475 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.8 m -59.99 149.24 74.74 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 120.922 0.391 . . . . 0.0 110.894 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.66 179.4 6.55 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 122.206 1.938 . . . . 0.0 113.32 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 52.99 -88.61 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.373 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.613 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.5 p -166.29 29.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.13 0.49 . . . . 0.0 110.299 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -85.32 142.65 29.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.317 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 6.1 mptt -89.67 168.9 11.76 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.093 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 92.9 m -112.11 114.87 27.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.16 -176.04 3.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -129.51 74.56 1.59 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.832 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -104.34 101.08 10.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 112.87 -140.39 16.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.57 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.3 p -92.13 14.15 16.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.591 0.234 . . . . 0.0 111.378 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.96 174.15 32.54 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.536 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -111.09 -52.65 2.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.856 0.36 . . . . 0.0 110.682 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 11.7 mmt -149.94 85.63 1.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.0 p -109.75 165.9 11.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.806 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 67.0 m -76.87 137.68 39.3 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.123 0.487 . . . . 0.0 110.987 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.7 t -139.98 148.37 41.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.76 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.0 m -58.51 129.72 84.36 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 56.1 Cg_endo -70.06 127.26 14.11 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.412 2.075 . . . . 0.0 112.236 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 6' ' ' SER . 12.2 p -106.81 135.63 19.52 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.086 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.404 ' HD2' HG23 ' A' ' 50' ' ' VAL . 58.7 Cg_endo . . . . . 0 C--O 1.25 1.081 0 C-N-CA 122.459 2.106 . . . . 1.0 112.225 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.802 0.334 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 172.78 154.9 0.09 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.798 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.31 -54.17 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 m -154.41 -70.41 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.63 -134.18 8.18 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.356 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.26 -166.82 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.09 0.471 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.2 t -83.62 140.05 41.09 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.698 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.508 ' HB3' HG21 ' A' ' 50' ' ' VAL . 55.7 Cg_endo -69.9 167.04 25.76 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.386 2.057 . . . . 0.0 112.264 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.95 29.93 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.971 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 42.7 tpp -137.66 -76.77 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.9 t 52.52 -172.58 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.086 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.425 ' CB ' ' HD3' ' A' ' 13' ' ' PRO . 0.1 OUTLIER -179.87 -52.58 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 179.845 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.425 ' HD3' ' CB ' ' A' ' 12' ' ' MET . 30.0 Cg_exo -61.72 130.87 32.95 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.458 2.105 . . . . 0.0 112.135 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.566 ' O ' HG23 ' A' ' 14' ' ' ILE . 5.3 tt -128.37 112.19 19.59 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.148 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.42 ' HA ' ' HD2' ' A' ' 16' ' ' PRO . 72.6 Cg_exo -51.27 106.65 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.45 2.1 . . . . 0.0 112.346 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 15' ' ' PRO . 55.7 Cg_endo -69.87 -21.09 33.46 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.497 2.131 . . . . 0.0 112.448 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.3 tt -62.96 -65.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.021 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.86 106.0 0.73 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.596 ' O ' HG22 ' A' ' 19' ' ' ILE . 1.6 mt -96.69 23.4 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.649 0.262 . . . . 0.0 111.285 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.9 m -156.34 29.65 0.34 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.024 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.4 105.49 12.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.796 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.3 t -68.46 -177.24 0.89 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -162.13 -61.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.317 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 29.9 p -96.05 164.67 12.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.942 0.401 . . . . 0.0 111.23 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -117.34 -12.02 10.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.17 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.2 t 176.78 178.64 0.23 Allowed 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.924 0.392 . . . . 0.0 110.685 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -51.21 -46.15 62.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.797 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.6 m -66.49 -20.84 66.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.653 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -72.15 -44.89 42.9 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.409 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 34' ' ' GLN . 33.5 m -70.91 137.76 85.14 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.919 0.39 . . . . 0.0 111.002 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -85.73 -170.2 0.69 Allowed 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.161 1.908 . . . . 0.0 113.283 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 52.71 -90.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.31 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.634 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.8 p -161.77 24.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.989 0.423 . . . . 0.0 110.729 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.456 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 17.9 mt-30 -91.35 145.7 24.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.335 -179.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 11.0 mptt -89.65 176.23 6.95 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.299 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.1 t -123.4 103.29 8.39 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.831 0.348 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.17 -174.87 3.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.979 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.24 -162.44 0.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.839 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -179.53 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.759 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.414 ' O ' ' CE1' ' A' ' 43' ' ' PHE . . . 175.16 173.16 40.71 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.359 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.5 t 61.57 -80.53 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.716 0.293 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 40' ' ' GLY . . . 159.92 80.63 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.407 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -163.54 -175.08 4.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.791 0.329 . . . . 0.0 111.031 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.2 ttt -133.02 104.87 6.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.717 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.56 175.68 5.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.798 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 95.8 m -85.85 146.69 26.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.023 0.439 . . . . 0.0 110.827 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.1 t -140.56 174.47 10.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.231 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.4 m -87.32 123.43 69.84 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.551 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.42 138.29 65.33 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.45 2.1 . . . . 0.0 112.55 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 8' ' ' PRO . 7.5 t -123.64 138.11 29.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.269 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo . . . . . 0 C--O 1.249 1.04 0 C-N-CA 122.472 2.115 . . . . 1.0 112.243 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.763 0.316 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -43.08 101.82 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.614 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -89.93 -67.95 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.7 p -140.11 -62.42 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.896 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -108.31 -134.3 7.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.407 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.493 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -150.03 -164.43 2.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.842 0.353 . . . . 0.0 110.822 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -80.13 139.74 52.99 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.856 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -56.93 -161.15 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.482 2.121 . . . . 0.0 112.151 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -140.64 -47.99 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.029 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.6 mtp -112.41 -30.34 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.094 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m 62.78 118.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.43 ' O ' HD12 ' A' ' 14' ' ' ILE . 1.7 mtm -75.61 -61.0 0.98 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 12' ' ' MET . 66.8 Cg_endo -74.02 136.12 22.12 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.555 2.17 . . . . 0.0 112.567 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.43 HD12 ' O ' ' A' ' 12' ' ' MET . 3.1 mp -139.28 80.78 22.17 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.032 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.46 127.18 14.46 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.647 2.231 . . . . 0.0 112.343 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -75.01 -27.75 9.73 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.487 2.125 . . . . 0.0 112.26 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.51 119.39 6.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.03 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 63.28 118.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.455 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 1.2 mp -92.05 -126.61 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.21 117.69 4.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.864 0.364 . . . . 0.0 111.003 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.607 ' O ' HG22 ' A' ' 45' ' ' THR . 0.0 OUTLIER -156.19 84.46 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 179.849 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 22' ' ' THR . 6.7 t -59.03 111.27 1.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.593 HD11 ' SG ' ' A' ' 46' ' ' CYS . 2.2 pp -114.48 -24.43 8.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.387 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.5 p -119.92 162.66 18.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.938 0.399 . . . . 0.0 111.18 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -115.47 -14.25 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.189 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.7 t 178.05 178.91 0.34 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.045 0.45 . . . . 0.0 110.825 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -49.76 -47.77 50.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.913 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -63.76 -21.95 66.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.635 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.92 -40.25 44.49 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.439 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.0 m -76.99 143.04 69.9 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.906 0.384 . . . . 0.0 111.053 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -86.38 -171.61 0.86 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 122.398 2.066 . . . . 0.0 113.346 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 49.19 -93.9 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.439 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.629 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.8 p -155.98 20.13 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.04 0.448 . . . . 0.0 110.677 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 14.2 mt-30 -84.43 142.06 30.38 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 11.3 mptt -89.54 173.11 8.51 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.117 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.3 t -109.43 87.7 2.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.835 0.35 . . . . 0.0 111.05 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.52 -176.39 4.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.657 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.03 -161.07 1.09 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.493 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -143.15 -45.81 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.77 0.319 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -126.12 -94.97 0.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.941 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.0 p -56.98 -178.45 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.988 0.423 . . . . 0.0 111.463 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.82 -140.15 0.03 OUTLIER Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.561 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 61.4 -179.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.722 0.296 . . . . 0.0 110.706 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.1 mtt -150.23 119.82 6.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 111.369 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 21' ' ' LYS . 82.0 p -121.45 174.6 6.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.469 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.593 ' SG ' HD11 ' A' ' 23' ' ' LEU . 86.9 m -80.79 145.27 31.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 121.115 0.483 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.464 HG22 ' H ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -140.44 178.87 7.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.954 -179.684 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.464 ' H ' HG22 ' A' ' 47' ' ' THR . 23.3 m -83.82 135.07 43.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.65 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.4 129.0 15.23 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.438 2.092 . . . . 0.0 112.274 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 6' ' ' SER . 13.8 p -103.18 136.2 19.27 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.03 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 50' ' ' VAL . 55.7 Cg_endo . . . . . 0 C--O 1.248 1.023 0 C-N-CA 122.418 2.079 . . . . 1.0 112.331 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.478 ' O ' ' CG ' ' A' ' 2' ' ' GLU . 26.8 p30 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.517 0.198 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 1' ' ' ASN . 3.2 pt-20 55.75 148.58 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.521 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -102.08 -52.0 3.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.91 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 53.1 m -144.94 -74.66 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.28 -132.81 6.35 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 p -150.08 -174.76 4.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.005 0.431 . . . . 0.0 110.553 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.3 t -75.91 137.9 69.48 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.788 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.27 166.81 23.99 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.364 2.043 . . . . 0.0 112.206 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -58.83 -176.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.0 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.14 -67.62 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.02 24.4 4.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.301 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.4 mtt 177.48 145.55 0.29 Allowed Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.758 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.83 168.91 23.35 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.477 2.118 . . . . 0.0 112.358 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.584 ' O ' HG23 ' A' ' 14' ' ' ILE . 19.4 tt -81.29 112.03 29.73 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.4 110.81 2.78 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.418 2.079 . . . . 0.0 112.306 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -79.36 -27.58 4.2 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.601 2.201 . . . . 0.0 112.433 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.0 171.07 15.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.62 -89.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.633 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.434 ' O ' HG22 ' A' ' 19' ' ' ILE . 5.2 mt 51.38 102.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.873 0.368 . . . . 0.0 111.199 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.5 m 56.51 166.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.287 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -132.15 171.14 14.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.402 ' CA ' ' HB3' ' A' ' 43' ' ' PHE . 5.8 t -62.86 -179.81 0.31 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.9 -43.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.148 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.5 p -103.83 159.08 15.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.018 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -111.7 -14.59 13.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.006 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.1 t 178.48 179.65 0.35 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 121.04 0.448 . . . . 0.0 110.874 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -49.04 -52.06 27.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.068 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.1 p -62.63 -20.66 65.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.787 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.03 -35.25 44.84 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.438 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 m -76.41 148.0 79.78 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.885 0.374 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -82.06 -176.13 2.86 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 122.283 1.989 . . . . 0.0 113.254 -178.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 46.42 -97.94 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.537 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.4 m -150.16 16.8 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-O 121.055 0.455 . . . . 0.0 110.818 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.422 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 12.6 mt-30 -79.94 143.5 34.14 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.166 -179.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.487 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 10.6 mptt -89.56 174.05 7.98 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.258 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.7 t -112.96 98.25 7.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.758 0.313 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -135.05 -175.03 3.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -101.05 77.5 1.83 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -148.59 145.87 28.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.21 -68.0 0.24 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.591 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -145.72 45.27 1.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.881 0.372 . . . . 0.0 110.94 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 60.33 -178.48 2.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.402 ' HB3' ' CA ' ' A' ' 22' ' ' THR . 69.9 m-85 60.46 -176.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.9 mmt -89.87 88.89 7.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.6 p -109.59 -176.61 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.801 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 84.1 m -90.49 146.13 24.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.815 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 48' ' ' THR . 0.2 OUTLIER -140.41 179.04 6.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.063 -179.766 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 47' ' ' THR . 60.4 m -89.75 135.14 30.92 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.661 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.437 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 70.5 Cg_endo -74.51 131.5 14.99 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.424 2.083 . . . . 0.0 112.479 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.406 HG23 ' HD2' ' A' ' 51' ' ' PRO . 13.3 p -108.84 136.1 20.05 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.068 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 50' ' ' VAL . 58.1 Cg_endo . . . . . 0 C--O 1.25 1.086 0 C-N-CA 122.486 2.124 . . . . 1.0 112.31 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 15.0 m120 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.82 0.343 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 60.6 103.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.63 -59.4 2.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.17 -60.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.22 -134.39 7.52 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.464 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.09 -163.99 1.91 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.915 0.388 . . . . 0.0 110.772 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.8 t -77.21 138.31 64.54 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -82.75 153.97 15.28 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.513 2.142 . . . . 0.0 112.382 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -108.78 -64.52 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.6 mmt -119.1 128.51 54.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.1 t 166.26 171.72 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.664 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 62.89 86.62 0.14 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.44 -17.23 30.57 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.585 2.19 . . . . 0.0 112.518 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.563 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.6 mp -71.43 135.78 84.03 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.981 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -74.23 111.38 3.29 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.494 2.129 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.581 ' O ' HD11 ' A' ' 19' ' ' ILE . 87.5 Cg_endo -86.39 46.35 1.55 Allowed 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.688 2.259 . . . . 0.0 112.469 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 tp -47.96 103.49 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.324 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.57 87.07 1.55 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.675 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.581 HD11 ' O ' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -139.14 28.96 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.772 0.32 . . . . 0.0 110.867 179.787 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.25 177.51 8.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.125 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.5 tptp 65.43 119.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.9 t -57.18 177.46 0.09 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.54 -47.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.478 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.7 p -116.58 173.75 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.955 0.407 . . . . 0.0 111.378 -179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.6 m-20 -124.04 -4.68 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.221 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.6 t 172.6 171.25 0.12 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.023 0.44 . . . . 0.0 110.94 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -43.88 -59.35 2.3 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.296 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.32 -21.36 49.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.701 179.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.27 -56.43 13.85 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.489 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.9 m -61.14 149.44 82.27 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-O 120.9 0.381 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -81.66 -172.85 1.58 Allowed 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 122.356 2.038 . . . . 0.0 113.537 -178.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 50.77 -100.55 0.09 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.131 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 1.8 m -153.52 21.33 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.568 0 CA-C-O 120.945 0.402 . . . . 0.0 110.375 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.462 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 6.0 mt-30 -83.42 142.21 31.14 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.423 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.44 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 0.2 OUTLIER -89.69 176.1 6.99 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.753 -179.655 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 70.3 m -117.07 117.0 28.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.722 0.296 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -135.78 -176.43 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 41.48 1.1 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.139 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -90.07 54.93 2.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -163.71 -122.22 0.6 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.583 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.6 m -96.25 25.67 4.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.74 -23.16 37.21 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.508 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -75.91 -167.95 0.81 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.18 111.34 23.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.6 p -122.69 167.3 13.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.936 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.462 ' HB3' ' NE2' ' A' ' 34' ' ' GLN . 57.3 m -72.5 137.06 46.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.177 0.513 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.5 t -140.12 161.13 38.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.485 -0.78 . . . . 0.0 111.039 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.8 m -68.21 128.36 93.2 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 60.6 Cg_endo -72.35 131.47 17.73 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.532 2.155 . . . . 0.0 112.375 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.405 HG23 ' HD2' ' A' ' 51' ' ' PRO . 13.6 p -109.28 135.85 20.22 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.025 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HD2' HG23 ' A' ' 50' ' ' VAL . 55.3 Cg_endo . . . . . 0 C--O 1.248 0.986 0 C-N-CA 122.528 2.152 . . . . 1.0 112.239 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.912 0.387 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 61.07 97.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.007 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -94.35 -69.07 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.43 -55.91 0.9 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -107.07 -134.11 7.47 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.36 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.04 -170.59 3.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.947 0.403 . . . . 0.0 110.571 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.8 t -83.8 135.01 43.32 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.788 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.69 -173.73 1.45 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.455 2.103 . . . . 0.0 112.407 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.45 -54.84 2.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 10.2 mtt -91.95 125.48 36.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.5 t 167.06 111.73 0.01 OUTLIER 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.696 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 mtp -144.11 88.4 7.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.923 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -51.97 176.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.514 2.143 . . . . 0.0 112.329 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.3 mp -134.61 72.42 69.56 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.31 114.38 3.98 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.614 2.209 . . . . 0.0 112.256 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -83.07 44.06 1.59 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.644 2.229 . . . . 0.0 112.73 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.7 tp -114.36 -65.35 1.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.79 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -140.69 -120.73 1.72 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.294 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.58 ' O ' HG22 ' A' ' 19' ' ' ILE . 3.6 mt -125.17 2.68 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.686 0.279 . . . . 0.0 111.562 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 171.66 151.54 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.759 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -161.89 120.56 2.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.463 ' HB ' ' CD1' ' A' ' 43' ' ' PHE . 7.3 t -68.25 -176.95 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mt -169.63 -57.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.276 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 14.0 p -108.62 170.94 7.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.154 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -113.0 -19.46 11.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.88 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 177.11 -177.71 0.17 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.122 0.487 . . . . 0.0 110.837 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -53.12 -41.28 64.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 71.8 m -70.47 -19.81 62.92 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.7 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -79.58 -33.82 33.51 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.551 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.2 m -75.55 140.47 71.88 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-O 120.944 0.402 . . . . 0.0 111.155 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -86.75 -173.09 1.08 Allowed 'Trans proline' 0 N--CA 1.45 -1.083 0 C-N-CA 122.301 2.001 . . . . 0.0 113.234 -178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 50.82 -90.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.325 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.642 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.8 p -161.74 25.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.136 0.493 . . . . 0.0 110.681 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -88.06 141.88 28.22 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.41 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mptt -89.75 152.82 21.12 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.886 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.9 t -99.68 95.77 7.18 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.94 0.4 . . . . 0.0 110.755 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.17 -175.33 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.961 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.09 -164.57 1.06 Allowed 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.516 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -177.62 -50.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.93 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -115.75 -111.54 2.77 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.562 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.1 p -55.16 -26.95 42.13 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.776 0.322 . . . . 0.0 111.212 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.14 37.31 0.7 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.463 ' CD1' ' HB ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -87.33 -169.2 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 5.0 mmt -115.24 108.5 16.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.015 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 50.2 p -137.19 163.2 31.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.785 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.1 m -85.42 139.39 31.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.23 0.538 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.5 t -140.6 176.33 8.88 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.2 m -74.66 132.62 77.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.759 179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.71 137.65 25.2 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.469 2.113 . . . . 0.0 112.295 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.3 p -108.25 137.55 19.92 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.05 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo . . . . . 0 C--O 1.249 1.065 0 C-N-CA 122.469 2.113 . . . . 1.0 112.278 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 30.8 m-20 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.807 0.337 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 169.51 129.86 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.31 -65.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.781 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.66 -63.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.779 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -111.69 -135.03 6.55 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.315 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.45 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.6 OUTLIER -150.27 -162.68 1.6 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.851 0.358 . . . . 0.0 110.734 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 37.4 t -66.03 137.99 96.07 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.617 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.41 ' HA ' HG11 ' A' ' 50' ' ' VAL . 14.5 Cg_endo -56.92 -74.85 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.573 2.182 . . . . 0.0 112.248 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.28 30.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.37 -169.12 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.37 -175.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 62.97 58.22 2.2 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.88 121.18 7.39 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.556 2.171 . . . . 0.0 112.26 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.51 ' O ' HG22 ' A' ' 14' ' ' ILE . 4.3 mt -127.43 53.16 9.66 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.42 111.38 3.25 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.646 2.23 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -79.42 -44.48 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.521 2.147 . . . . 0.0 112.407 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.9 OUTLIER -109.56 114.02 27.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.904 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 69.0 133.57 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.569 ' O ' HG22 ' A' ' 19' ' ' ILE . 22.5 mm -97.45 29.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.81 0.338 . . . . 0.0 111.199 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.439 ' HA ' ' CB ' ' A' ' 41' ' ' CYS . 2.5 t -176.76 49.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -141.39 118.51 11.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.841 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.6 t -52.16 163.31 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.13 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.403 ' HB2' ' HA ' ' A' ' 45' ' ' THR . 0.2 OUTLIER -113.92 -49.97 2.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.352 -179.722 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.97 -178.62 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.376 . . . . 0.0 111.305 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -99.74 -35.37 9.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.076 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.05 -174.78 2.12 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.288 0.566 . . . . 0.0 111.313 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -44.13 -54.66 5.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.661 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.5 m -66.91 -15.57 63.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.167 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -76.25 -41.61 25.81 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.83 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 1.6 m -67.61 142.96 96.53 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.846 0.355 . . . . 0.0 111.165 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 10.0 Cg_exo -71.37 -179.34 3.55 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 122.417 2.078 . . . . 0.0 113.105 -178.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 46.76 -91.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.665 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.622 ' O ' HG22 ' A' ' 33' ' ' VAL . 14.5 p -161.64 27.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.059 0.457 . . . . 0.0 110.369 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -86.29 144.46 27.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.18 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' NZ ' ' HB3' ' A' ' 49' ' ' PRO . 4.6 mptt -93.28 156.1 17.02 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.392 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.71 96.47 7.64 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.899 0.38 . . . . 0.0 110.398 179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.4 t -106.92 160.64 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.218 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -92.11 106.29 18.33 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.0 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -155.86 77.41 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.856 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 168.86 -108.83 0.31 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.439 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 0.5 OUTLIER -97.58 26.24 5.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.864 0.364 . . . . 0.0 111.169 -179.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.23 21.51 62.54 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.801 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -109.7 -175.56 2.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.719 0.295 . . . . 0.0 110.799 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 2.8 mtt -111.87 106.53 15.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.208 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.403 ' HA ' ' HB2' ' A' ' 23' ' ' LEU . 3.4 t -112.59 159.85 18.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.682 179.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 65.4 m -74.74 134.4 41.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.438 0.637 . . . . 0.0 111.352 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.8 t -140.61 164.66 29.57 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.672 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.4 m -64.25 127.95 92.63 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.401 ' HB3' ' NZ ' ' A' ' 35' ' ' LYS . 56.8 Cg_endo -70.69 130.89 18.91 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.441 2.094 . . . . 0.0 112.52 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.45 HG12 ' O ' ' A' ' 6' ' ' SER . 12.4 p -108.67 139.76 21.16 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.947 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo . . . . . 0 C--O 1.249 1.053 0 C-N-CA 122.428 2.085 . . . . 1.0 112.245 -179.914 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.2 t30 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.827 0.346 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 60.17 100.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -103.13 -68.21 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -138.24 -57.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.85 -134.85 6.72 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.381 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.43 ' O ' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -150.25 -168.93 3.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.041 0.448 . . . . 0.0 110.64 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.7 t -90.16 140.54 27.34 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.733 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -60.18 170.81 3.61 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.412 2.075 . . . . 0.0 112.126 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 31.7 p30 -139.32 60.43 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 18.1 mtp -148.54 -174.51 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.71 137.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.878 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mtt -86.43 155.03 57.07 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.96 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.85 155.61 14.05 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.652 2.234 . . . . 0.0 112.239 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.7 tt -128.39 132.41 24.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.071 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.98 104.5 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.54 2.16 . . . . 0.0 112.496 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.892 ' HA ' HD11 ' A' ' 19' ' ' ILE . 92.0 Cg_endo -83.93 47.75 2.36 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.66 2.24 . . . . 0.0 112.707 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.7 tp -75.82 80.71 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.836 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 72.92 106.36 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.411 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.892 HD11 ' HA ' ' A' ' 16' ' ' PRO . 3.6 mt -137.2 -130.99 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 110.548 -0.167 . . . . 0.0 110.548 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.6 p -91.12 -165.27 1.32 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.751 0.31 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 22' ' ' THR . 3.0 tmtt? -124.75 71.58 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.842 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.724 ' O ' HD12 ' A' ' 23' ' ' LEU . 12.4 t 44.18 -167.81 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.664 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -173.57 -56.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.165 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.4 p -104.34 159.65 15.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -111.88 -14.29 13.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.044 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 30.8 t 178.1 179.17 0.34 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.991 0.424 . . . . 0.0 110.917 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -49.24 -48.98 45.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.013 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -64.53 -20.64 66.34 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.761 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -73.12 -42.98 41.62 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.474 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.7 m -71.65 141.21 84.79 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-O 120.946 0.403 . . . . 0.0 111.059 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -86.61 -172.08 0.92 Allowed 'Trans proline' 0 N--CA 1.45 -1.071 0 C-N-CA 122.342 2.028 . . . . 0.0 113.373 -178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 51.04 -99.5 0.07 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.319 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.5 m -148.71 16.6 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-O 120.958 0.408 . . . . 0.0 110.752 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.402 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 14.2 mt-30 -84.92 141.96 30.02 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.17 -179.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 9.7 mptt -89.79 174.77 7.53 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.335 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.0 t -113.48 96.51 5.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.901 0.381 . . . . 0.0 110.722 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -132.06 -173.95 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.06 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -95.55 32.33 1.83 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.033 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -120.11 73.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -178.6 -44.2 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.404 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.633 ' HB2' HG21 ' A' ' 45' ' ' THR . 43.2 t -129.15 -78.16 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.72 0.295 . . . . 0.0 110.711 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -175.04 -39.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.62 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -94.9 -76.37 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.755 0.312 . . . . 0.0 111.033 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.15 88.33 1.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.936 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.633 HG21 ' HB2' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -108.01 -177.09 3.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.844 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 93.1 m -90.98 146.95 23.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.099 0.476 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 t -140.39 -175.85 4.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.981 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 69.1 m -85.33 136.69 37.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.17 128.69 13.23 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.571 2.18 . . . . 0.0 112.363 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 6' ' ' SER . 14.0 p -110.97 135.52 20.83 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.062 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.451 2.101 . . . . 0.0 112.317 179.925 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 10.7 t30 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.751 0.31 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 60.56 110.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.31 -50.6 5.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.947 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.0 t -160.97 -70.69 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -94.67 -133.41 7.1 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.462 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.06 -164.16 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.957 0.408 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 t -87.53 140.08 31.77 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.814 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HA ' HG11 ' A' ' 50' ' ' VAL . 32.7 Cg_exo -59.36 166.12 8.13 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.366 2.044 . . . . 0.0 112.251 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.96 52.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -103.95 -168.9 1.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.9 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.2 t 61.43 176.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.428 ' CB ' ' HD3' ' A' ' 13' ' ' PRO . 0.9 OUTLIER -179.47 -52.82 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.963 179.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.428 ' HD3' ' CB ' ' A' ' 12' ' ' MET . 35.3 Cg_exo -59.96 165.73 9.83 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.43 2.087 . . . . 0.0 112.156 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 36.6 mt -119.81 69.91 13.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.06 114.41 3.97 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.593 2.195 . . . . 0.0 112.358 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.87 -26.46 27.02 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.406 2.07 . . . . 0.0 112.297 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.835 HD13 ' N ' ' A' ' 18' ' ' GLY . 1.0 OUTLIER -67.57 141.08 56.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.016 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.835 ' N ' HD13 ' A' ' 17' ' ' LEU . . . -58.36 -90.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.652 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 19' ' ' ILE . 0.1 OUTLIER 74.45 7.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.645 0.26 . . . . 0.0 111.623 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.6 p -159.87 177.87 10.35 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.764 0.316 . . . . 0.0 110.904 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -141.22 154.75 45.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.4 t -88.92 140.69 29.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.003 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.9 -39.74 1.57 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.333 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 23.9 p -110.31 172.12 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.943 0.401 . . . . 0.0 111.149 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -134.01 7.67 3.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.308 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.3 t 169.49 170.92 0.05 OUTLIER 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.013 0.435 . . . . 0.0 110.819 179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -54.58 -50.94 66.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.889 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 42.3 p -60.09 -23.08 63.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.707 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.49 -32.07 43.55 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.414 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 1.7 m -71.62 143.13 86.95 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.854 0.359 . . . . 0.0 111.205 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 30' ' ' CYS . 7.4 Cg_exo -72.53 176.32 8.93 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 122.328 2.019 . . . . 0.0 112.85 -179.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 45.5 -95.89 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.613 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.77 16.54 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-O 121.026 0.441 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.473 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . 10.0 mt-30 -72.59 143.58 48.18 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.06 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -89.81 148.99 22.88 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.222 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.7 t -99.62 104.16 15.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.904 0.383 . . . . 0.0 110.75 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.31 -174.64 3.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -83.9 -9.93 58.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.446 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 66.32 -71.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.991 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -175.19 -64.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.42 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.2 p -60.19 -44.7 94.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.931 0.396 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 154.28 -162.76 30.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.432 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 59.69 -176.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.732 0.301 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -118.73 109.43 16.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.8 p -123.96 176.16 6.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 34' ' ' GLN . 96.0 m -96.68 144.46 26.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 12.8 t -140.81 171.65 13.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.093 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.8 m -76.07 117.98 67.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.724 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -51.98 135.06 50.77 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.481 2.12 . . . . 0.0 112.567 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' A' ' 8' ' ' PRO . 13.0 p -108.19 136.05 19.86 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.419 ' HD2' HG23 ' A' ' 50' ' ' VAL . 60.4 Cg_endo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.451 2.101 . . . . 0.0 112.25 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 5.6 m120 . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.777 0.323 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 165.83 165.24 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.734 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -92.56 -57.64 2.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.9 m -150.6 -61.3 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -98.63 -133.55 8.07 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.572 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.03 -165.59 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.942 0.401 . . . . 0.0 110.82 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.9 t -84.68 139.59 37.89 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.764 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.736 ' HA ' HG21 ' A' ' 50' ' ' VAL . 36.5 Cg_exo -60.17 163.86 13.65 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.459 2.106 . . . . 0.0 112.274 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -96.31 -39.95 9.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.805 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.2 -46.69 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.843 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -44.39 137.85 3.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.471 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -166.63 107.65 0.67 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.88 105.39 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.453 2.102 . . . . 0.0 112.233 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.613 ' O ' HG23 ' A' ' 14' ' ' ILE . 17.3 tt -45.86 102.68 0.31 Allowed Pre-proline 0 CA--C 1.53 0.192 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.609 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.816 ' CG ' HD12 ' A' ' 19' ' ' ILE . 97.3 Cg_endo -90.06 106.34 0.35 Allowed 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.966 2.444 . . . . 0.0 112.527 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.38 -29.61 9.2 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.555 2.17 . . . . 0.0 112.425 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.8 tp -76.68 77.46 3.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.13 102.11 0.01 OUTLIER Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.718 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.816 HD12 ' CG ' ' A' ' 15' ' ' PRO . 1.0 OUTLIER -95.05 74.63 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-O 120.782 0.325 . . . . 0.0 110.83 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.422 ' HA ' ' CB ' ' A' ' 41' ' ' CYS . 0.8 OUTLIER -177.86 -38.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.049 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.54 135.22 46.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.202 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.42 ' HB ' ' CG ' ' A' ' 43' ' ' PHE . 4.6 t -79.29 170.53 16.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.817 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -161.3 -43.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.29 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 31.3 p -108.71 164.88 11.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.941 0.401 . . . . 0.0 111.268 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -127.42 3.6 6.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.017 179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.0 t 169.01 173.17 0.04 OUTLIER 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.91 0.386 . . . . 0.0 110.493 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -53.39 -41.57 66.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.04 -21.3 64.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.569 179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.8 -37.76 38.4 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.368 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 34' ' ' GLN . 33.9 m -71.71 148.16 92.4 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-O 120.962 0.411 . . . . 0.0 111.169 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -84.13 -177.51 3.06 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.362 2.041 . . . . 0.0 113.454 -178.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 42.84 -94.43 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.795 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -144.9 2.16 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 120.853 0.358 . . . . 0.0 111.064 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.439 ' NE2' ' HB3' ' A' ' 46' ' ' CYS . 3.4 mt-30 -61.92 140.35 58.31 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 46' ' ' CYS . 13.7 mptt -91.42 169.07 11.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.36 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.7 t -114.45 101.0 8.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.846 0.355 . . . . 0.0 110.439 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.64 -174.85 3.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -112.86 57.84 0.66 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.756 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -67.1 136.44 55.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 57.89 -97.84 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.685 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.422 ' CB ' ' HA ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER -57.26 173.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 0.0 111.065 -179.891 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.1 51.56 0.95 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.37 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.42 ' CG ' ' HB ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -129.9 -168.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.744 0.307 . . . . 0.0 110.767 179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 14.6 mmm -113.27 91.67 3.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.022 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.1 p -110.1 168.15 9.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.71 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 35' ' ' LYS . 93.7 m -90.66 145.74 24.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.145 0.497 . . . . 0.0 111.149 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.8 t -140.51 -175.46 4.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.764 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.7 m -83.04 137.98 42.94 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.788 179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.47 136.11 27.89 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.403 2.069 . . . . 0.0 112.318 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.736 HG21 ' HA ' ' A' ' 8' ' ' PRO . 14.8 t -103.85 103.64 38.28 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.266 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo . . . . . 0 C--O 1.248 1.02 0 C-N-CA 122.512 2.142 . . . . 0.0 112.329 -179.949 . . . . . . . . 0 0 . 1 stop_ save_