data_2juy_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 2juy _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 ' 1' ' ' PHE . . . . . 0.441 ' CZ ' HG13 ' A' ' 10' ' ' VAL . 37.7 p90 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.986 0.422 . . . . 2.41 110.973 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -57.23 125.27 22.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.973 -0.558 . . . . 4.73 111.344 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 p -96.54 159.61 31.42 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 1.7 110.723 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 52.7 Cg_endo -87.5 -69.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.618 2.212 . . . . 1.78 112.653 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.414 ' CD2' ' HB2' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -150.42 25.74 0.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.49 -0.323 . . . . 2.98 111.183 -179.648 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.95 -136.05 5.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.599 -0.81 . . . . 2.86 112.547 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.1 t -90.21 14.66 12.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.607 0.241 . . . . 2.76 111.175 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.426 ' HA ' ' N ' ' A' ' 14' ' ' PRO . . . -68.17 119.56 12.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.837 0.351 . . . . 2.93 111.07 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.412 ' CD1' ' N ' ' A' ' 9' ' ' LEU . 5.6 mp 56.82 25.02 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 4.15 110.855 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.441 HG13 ' CZ ' ' A' ' 1' ' ' PHE . 57.5 t -102.26 -74.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 2.19 111.022 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.5 t70 -150.18 31.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 2.9 111.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 5.4 p 177.3 -39.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.025 -0.534 . . . . 2.2 111.171 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.89 173.45 14.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.925 -0.655 . . . . 3.29 111.851 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.426 ' N ' ' HA ' ' A' ' 8' ' ' ALA . 68.6 Cg_endo -72.42 69.18 3.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.462 2.108 . . . . 3.01 112.261 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -145.1 -52.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 4.24 111.149 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -89.98 142.9 29.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.36 -0.382 . . . . 4.84 110.777 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -80.67 156.12 21.16 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.574 2.183 . . . . 3.11 112.321 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.0 m -135.12 172.65 12.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 2.85 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -89.76 97.82 11.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 7.12 111.158 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -107.43 108.45 19.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 3.46 110.755 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.2 m -106.27 -26.13 11.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 2.81 111.359 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.47 153.44 19.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.635 -0.793 . . . . 1.18 112.614 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.468 0.466 0 CA-C-O 120.784 0.326 . . . . 3.95 110.961 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 121.016 0.436 . . . . 2.23 110.228 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.5 m -89.83 115.24 27.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.914 -0.585 . . . . 1.98 111.223 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -103.77 112.22 25.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.002 -0.544 . . . . 2.01 110.468 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.293 -0.861 . . . . 2.84 110.984 -179.559 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 39.4 p90 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.96 0.41 . . . . 2.41 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -86.2 144.97 27.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.948 -0.569 . . . . 4.73 111.261 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.6 p -101.32 146.8 32.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 1.7 110.883 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.421 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 90.2 Cg_endo -88.25 -17.23 2.46 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.792 2.328 . . . . 1.78 112.793 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.421 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 22.2 m-85 -146.07 -67.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 2.98 110.915 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -153.2 -118.79 0.73 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.811 -0.709 . . . . 2.86 112.44 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.1 t -78.95 0.41 27.57 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.569 0.224 . . . . 2.76 111.272 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.02 120.89 7.0 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.805 0.336 . . . . 2.93 111.284 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt 55.26 23.91 5.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 4.15 111.026 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.4 t -102.72 -72.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.302 -0.408 . . . . 2.19 111.037 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 39.6 m-20 -150.09 31.62 0.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.567 -0.288 . . . . 2.9 111.526 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 11.9 p 176.04 -38.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.203 -0.453 . . . . 2.2 111.318 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 115.58 174.02 17.71 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.031 -0.604 . . . . 3.29 111.592 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.58 65.08 3.81 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.333 2.022 . . . . 3.01 112.124 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -146.14 -50.89 0.23 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.289 -0.414 . . . . 4.24 111.523 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -94.88 150.73 38.25 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.715 0.293 . . . . 4.84 110.784 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.23 149.65 40.92 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.392 2.061 . . . . 3.11 112.4 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -126.4 173.75 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 2.85 110.635 -179.793 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.72 93.95 5.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.258 -0.428 . . . . 7.12 110.751 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -118.92 138.59 52.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 3.46 111.144 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.1 m -89.83 -25.83 20.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 2.81 110.716 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.4 -169.93 11.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.958 -0.639 . . . . 1.18 112.072 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 120.845 0.355 . . . . 3.95 111.067 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.832 0.348 . . . . 2.23 110.741 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 92.8 m -89.87 116.05 27.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.118 0.485 . . . . 1.98 111.221 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -135.02 110.79 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.78 -0.645 . . . . 2.01 110.551 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 54.3 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.194 -0.908 . . . . 2.84 110.799 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.4 ' CZ ' ' OD2' ' A' ' 27' ' ' ASP . 30.6 p90 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.949 0.404 . . . . 2.41 111.043 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -82.42 144.18 30.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.052 -0.522 . . . . 4.73 111.16 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.2 p -106.59 117.39 57.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 1.7 110.944 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 97.4 Cg_endo -86.25 -22.57 2.14 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.409 2.072 . . . . 1.78 112.378 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.442 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.0 m-85 -149.98 22.95 0.86 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.413 -0.358 . . . . 2.98 111.161 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.13 -108.34 3.33 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.663 -0.78 . . . . 2.86 112.706 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -89.34 11.72 18.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.63 0.253 . . . . 2.76 111.173 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.29 -43.05 70.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.835 0.35 . . . . 2.93 111.559 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.99 33.59 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 4.15 110.812 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.5 t -102.49 -87.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 2.19 111.403 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -150.62 41.06 0.77 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.638 0.256 . . . . 2.9 111.545 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 p -175.79 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.919 0.39 . . . . 2.2 111.626 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.77 -173.84 15.54 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.946 -0.645 . . . . 3.29 111.784 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -72.96 67.16 4.05 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.372 2.048 . . . . 3.01 112.339 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -143.67 -54.01 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 4.24 111.103 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -89.91 134.69 31.43 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.482 -0.327 . . . . 4.84 110.853 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -84.08 123.42 3.12 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.678 2.252 . . . . 3.11 112.423 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.0 m -98.59 172.14 7.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 2.85 110.88 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -90.61 120.53 31.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 7.12 110.874 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -101.1 112.93 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 3.46 110.861 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.5 m -91.93 -31.17 15.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 2.81 110.913 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.39 -153.25 6.17 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.83 -0.7 . . . . 1.18 112.32 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 3.95 110.843 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.0 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.943 0.402 . . . . 2.23 110.261 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.1 m -91.63 115.42 28.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.035 -0.529 . . . . 1.98 110.961 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.4 ' OD2' ' CZ ' ' A' ' 1' ' ' PHE . 7.4 m-20 -127.83 125.37 39.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.053 -0.521 . . . . 2.01 111.108 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.25 -0.881 . . . . 2.84 110.879 179.796 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.7 p90 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.937 0.398 . . . . 2.41 110.845 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -90.05 146.82 24.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 4.73 110.96 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 6' ' ' GLY . 30.9 p -113.23 111.53 50.06 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.4 -0.364 . . . . 1.7 111.055 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.43 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 91.2 Cg_endo -87.71 -24.4 1.13 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.673 2.248 . . . . 1.78 112.875 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 4.3 m-85 -150.05 49.44 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.772 0.32 . . . . 2.98 110.841 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.491 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . 93.17 -152.03 20.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 2.86 111.964 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.4 p -89.54 39.3 0.94 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.899 0.38 . . . . 2.76 111.0 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.45 124.15 21.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 2.93 110.517 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 28.1 tp 63.96 16.09 9.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.331 -0.395 . . . . 4.15 110.5 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.3 t -101.12 -80.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.449 -0.341 . . . . 2.19 110.765 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -150.5 30.34 0.68 Allowed 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.848 0.356 . . . . 2.9 111.173 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 p 171.97 30.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.193 -0.458 . . . . 2.2 112.13 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 44.56 -171.05 0.01 OUTLIER Glycine 0 C--N 1.334 0.43 0 C-N-CA 121.099 -0.572 . . . . 3.29 113.33 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -87.17 55.04 2.97 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.693 2.262 . . . . 3.01 112.386 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -150.08 23.61 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 4.24 111.37 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -150.1 124.02 4.52 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.574 -0.284 . . . . 4.84 110.926 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.66 144.91 15.93 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.54 2.16 . . . . 3.11 112.641 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.9 m -125.53 172.8 9.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.519 . . . . 2.85 110.683 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -90.39 103.37 16.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 7.12 110.883 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.89 141.86 28.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 3.46 110.978 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.7 t -105.92 -25.55 12.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 2.81 111.281 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.58 -140.99 3.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.633 -0.794 . . . . 1.18 112.6 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 3.95 110.841 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 CA--C 1.521 -0.136 0 N-CA-C 109.436 -0.579 . . . . 2.23 109.436 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.3 m -89.98 119.6 30.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.527 -0.761 . . . . 1.98 111.412 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -142.05 113.81 7.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.882 -0.599 . . . . 2.01 110.794 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.3 m . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.278 -0.868 . . . . 2.84 110.853 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.431 ' CE2' HG21 ' A' ' 10' ' ' VAL . 27.0 p90 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.966 0.413 . . . . 2.41 110.99 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -89.96 139.25 30.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.533 . . . . 4.73 110.995 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.9 p -106.79 122.81 40.54 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.535 -0.302 . . . . 1.7 111.019 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.441 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 90.6 Cg_endo -83.82 -32.62 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.574 2.182 . . . . 1.78 112.434 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.441 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.3 m-85 -135.73 -65.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 2.98 110.635 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.63 -136.85 3.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.029 -0.605 . . . . 2.86 112.004 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.5 p -90.46 41.63 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.006 0.431 . . . . 2.76 110.805 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.95 -26.22 14.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.975 -0.557 . . . . 2.93 111.584 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.1 tp -148.05 41.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 4.15 111.04 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.431 HG21 ' CE2' ' A' ' 1' ' ' PHE . 19.1 t -118.77 -77.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.633 -0.258 . . . . 2.19 111.464 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -150.44 37.0 0.66 Allowed 'General case' 0 C--O 1.231 0.09 0 N-CA-C 112.193 0.442 . . . . 2.9 112.193 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 p 173.62 27.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.432 0.531 . . . . 2.2 112.432 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.31 -164.95 0.01 OUTLIER Glycine 0 CA--C 1.521 0.457 0 C-N-CA 121.135 -0.555 . . . . 3.29 113.351 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -86.21 67.27 5.03 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.726 2.284 . . . . 3.01 112.428 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -146.24 -46.34 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.353 -0.385 . . . . 4.24 111.264 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -96.44 148.68 34.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 4.84 110.89 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.5 168.49 24.21 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.467 2.112 . . . . 3.11 112.192 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -141.61 172.22 12.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 2.85 110.741 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -100.66 121.4 41.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 7.12 110.844 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.98 134.26 34.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 3.46 110.955 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.9 m -113.54 -33.49 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 2.81 110.974 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -157.34 -134.43 1.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.823 -0.703 . . . . 1.18 112.524 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 3.95 110.939 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 121.076 0.465 . . . . 2.23 109.873 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 86.1 m -89.8 117.75 28.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.807 -0.633 . . . . 1.98 111.283 -178.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -122.91 114.14 20.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.56 . . . . 2.01 110.743 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.412 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 50.6 m . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.231 -0.89 . . . . 2.84 110.888 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.438 ' CE1' HG21 ' A' ' 10' ' ' VAL . 23.6 p90 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.972 0.415 . . . . 2.41 110.998 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -89.99 138.09 31.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.016 -0.538 . . . . 4.73 111.151 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.1 p -103.71 126.79 30.98 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 1.7 110.825 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.448 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 83.3 Cg_endo -82.55 -23.81 3.88 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.576 2.184 . . . . 1.78 112.384 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.448 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.0 m-85 -139.64 -56.68 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 2.98 110.555 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.23 -104.3 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.979 -0.629 . . . . 2.86 112.257 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 41.8 t -90.41 39.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 2.76 110.87 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -46.69 -59.61 2.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.448 -0.342 . . . . 2.93 111.543 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.3 mt -138.79 50.82 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 4.15 110.791 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.438 HG21 ' CE1' ' A' ' 1' ' ' PHE . 62.9 t -103.03 -88.16 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 116.237 -0.438 . . . . 2.19 111.503 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -150.56 38.42 0.69 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.75 0.31 . . . . 2.9 110.943 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.7 p -176.8 21.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.326 0.491 . . . . 2.2 112.326 -179.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.16 -175.18 0.02 OUTLIER Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.597 -0.811 . . . . 3.29 112.52 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.6 59.77 6.35 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.416 2.077 . . . . 3.01 112.21 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -135.41 -56.17 0.8 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.438 . . . . 4.24 111.183 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.2 mmm-85 -89.76 134.26 32.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.402 -0.363 . . . . 4.84 110.839 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -81.57 148.1 15.95 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.624 2.216 . . . . 3.11 112.649 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -122.13 168.99 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 2.85 110.82 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 125.11 44.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 7.12 111.0 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -116.49 142.27 47.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 3.46 110.756 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.0 m -113.22 -18.4 12.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.406 -0.361 . . . . 2.81 111.619 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.61 -156.79 8.73 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.459 -0.877 . . . . 1.18 112.699 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 3.95 110.649 179.917 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 m . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 121.154 0.502 . . . . 2.23 109.678 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.0 m -89.85 118.02 29.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.584 -0.734 . . . . 1.98 111.149 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -137.6 121.59 17.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 2.01 111.038 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 m . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.219 -0.896 . . . . 2.84 110.787 179.675 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.417 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 19.6 p90 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.954 0.407 . . . . 2.41 110.992 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -90.3 145.83 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 4.73 111.198 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -139.98 129.56 13.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 1.7 110.114 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.63 -46.57 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.506 2.138 . . . . 1.78 113.173 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -127.98 -68.79 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 2.98 110.525 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -108.24 -114.44 3.78 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.771 -0.728 . . . . 2.86 111.832 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.423 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 94.1 m -89.17 -74.86 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 2.76 110.711 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 71.98 72.48 0.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.609 . . . . 2.93 110.439 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.7 mt 67.37 31.79 6.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.878 -0.601 . . . . 4.15 110.868 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' A' ' 7' ' ' CYS . 59.5 t -108.49 -75.87 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.203 -0.453 . . . . 2.19 111.339 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.482 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 20.2 t70 -150.26 33.99 0.65 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.756 0.28 . . . . 2.9 111.756 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 1.9 p 176.08 -28.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.355 -0.384 . . . . 2.2 111.392 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.05 -176.53 47.28 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.698 -0.763 . . . . 3.29 111.627 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.49 63.7 2.22 Favored 'Trans proline' 0 CA--C 1.527 0.174 0 C-N-CA 122.333 2.022 . . . . 3.01 112.07 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -142.34 -63.58 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 4.24 111.412 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -89.76 109.92 35.84 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.465 -0.334 . . . . 4.84 110.98 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.37 142.29 40.69 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.443 2.095 . . . . 3.11 112.426 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.2 m -109.15 174.51 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 2.85 110.803 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.439 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 7.8 mpt_? -89.86 124.15 34.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 7.12 110.545 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.76 128.31 36.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 3.46 110.928 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 t -108.85 -27.17 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 2.81 111.212 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.8 -137.86 3.07 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.565 -0.826 . . . . 1.18 112.645 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 3.95 110.941 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.804 0.335 . . . . 2.23 110.482 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.2 p -104.23 106.84 17.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 1.98 111.054 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -120.43 98.94 6.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 2.01 111.181 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.27 -0.872 . . . . 2.84 110.847 179.784 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.1 p90 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.929 0.395 . . . . 2.41 110.966 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -90.02 136.39 33.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 4.73 110.986 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 p -103.9 132.81 20.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 1.7 110.986 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.44 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 88.1 Cg_endo -84.95 -20.35 3.58 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.54 2.16 . . . . 1.78 112.475 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.44 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.0 m-85 -144.12 -65.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 2.98 110.813 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -158.91 -104.9 0.21 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.861 -0.685 . . . . 2.86 112.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -90.13 10.79 23.04 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.797 0.332 . . . . 2.76 110.851 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.17 -71.92 0.06 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.789 0.328 . . . . 2.93 111.442 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.404 ' N ' HD13 ' A' ' 9' ' ' LEU . 5.7 mp -98.17 33.11 2.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 4.15 110.655 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.3 t -101.93 -88.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.343 -0.389 . . . . 2.19 111.525 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -150.72 38.68 0.69 Allowed 'General case' 0 CA--C 1.527 0.074 0 N-CA-C 112.126 0.417 . . . . 2.9 112.126 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 p -177.54 -40.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.813 -0.355 . . . . 2.2 111.889 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.58 179.28 16.24 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.813 -0.708 . . . . 3.29 111.965 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.51 66.0 2.93 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.53 2.153 . . . . 3.01 112.29 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -140.88 -49.39 0.43 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 4.24 111.293 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -94.15 144.19 27.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.452 -0.34 . . . . 4.84 111.077 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -78.17 168.47 21.77 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.644 2.23 . . . . 3.11 112.284 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.54 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 3.4 m -145.24 165.69 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 2.85 110.715 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.444 ' N ' ' HD3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -89.9 87.23 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 7.12 110.482 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 4.7 p-10 -116.92 138.81 51.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 3.46 111.407 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.7 m -89.85 -23.27 21.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.913 -0.585 . . . . 2.81 110.19 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.9 -172.98 13.76 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.772 -0.649 . . . . 1.18 111.737 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.718 0.294 . . . . 3.95 111.039 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.763 0.316 . . . . 2.23 110.764 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.483 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 61.2 m -98.08 109.82 22.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.991 0.424 . . . . 1.98 111.352 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -118.43 100.0 7.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.843 -0.617 . . . . 2.01 110.91 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.218 -0.896 . . . . 2.84 110.961 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 22.5 p90 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.904 0.383 . . . . 2.41 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -90.19 147.33 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 4.73 111.143 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -141.98 128.55 11.13 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.079 -0.51 . . . . 1.7 110.291 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 84.7 Cg_endo -81.56 -44.6 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.504 2.136 . . . . 1.78 112.902 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.403 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 3.1 m-85 -125.4 -68.77 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 2.98 110.68 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.41 -110.28 3.15 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.813 -0.708 . . . . 2.86 111.867 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.426 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 98.8 m -90.12 -77.15 0.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.937 0.398 . . . . 2.76 110.854 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 73.38 73.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.912 -0.585 . . . . 2.93 110.179 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.414 ' CD1' ' N ' ' A' ' 9' ' ' LEU . 5.2 mp 65.75 34.18 7.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.833 -0.621 . . . . 4.15 110.602 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 7' ' ' CYS . 52.1 t -110.29 -75.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 2.19 111.546 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 20.2 m-20 -150.17 34.16 0.66 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.862 0.319 . . . . 2.9 111.862 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 2.5 p 176.32 -31.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.437 -0.347 . . . . 2.2 111.382 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.25 -172.85 42.03 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.793 -0.718 . . . . 3.29 111.515 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.04 64.55 6.94 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.278 1.985 . . . . 3.01 112.222 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -144.42 -50.8 0.29 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.351 -0.386 . . . . 4.24 111.608 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 88.5 mtt180 -96.85 137.92 21.35 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.57 0.224 . . . . 4.84 110.912 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.03 162.99 36.16 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.604 2.203 . . . . 3.11 112.44 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.525 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 13.4 m -142.3 161.61 37.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 2.85 110.711 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -89.98 124.01 34.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 7.12 110.907 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -90.0 137.01 32.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 3.46 110.853 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.1 t -127.67 -42.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 2.81 111.292 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.75 -178.74 15.87 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.671 -0.776 . . . . 1.18 112.642 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.396 0 CA-C-O 120.738 0.304 . . . . 3.95 111.138 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.798 0.332 . . . . 2.23 110.234 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.9 p -109.14 104.72 13.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.049 0.452 . . . . 1.98 111.189 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.23 88.14 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.904 -0.589 . . . . 2.01 111.061 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.525 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.2 p . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.276 -0.869 . . . . 2.84 110.978 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 33.0 p90 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.973 0.416 . . . . 2.41 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -59.01 131.69 51.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 4.73 111.153 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.4 m -118.46 161.8 33.58 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.188 -0.46 . . . . 1.7 110.906 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.447 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 32.1 Cg_exo -57.28 -63.24 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.471 2.114 . . . . 1.78 112.722 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -149.68 -52.73 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.115 -0.493 . . . . 2.98 111.043 -179.086 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.87 -154.48 22.56 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.714 -0.755 . . . . 2.86 112.302 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 p -90.42 39.14 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 2.76 111.122 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 120.65 10.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.346 -0.388 . . . . 2.93 111.166 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.2 tp 60.35 28.67 18.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 4.15 110.709 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.2 t -109.34 -77.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 2.19 111.077 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -150.45 31.13 0.66 Allowed 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.872 0.368 . . . . 2.9 110.875 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.87 -31.43 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.13 -0.486 . . . . 2.2 111.7 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.89 176.67 43.94 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.557 -0.83 . . . . 3.29 113.026 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.38 64.57 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.671 2.247 . . . . 3.01 112.336 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -150.06 -45.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 4.24 110.933 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -96.31 142.52 24.67 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 4.84 110.84 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.43 139.03 28.14 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.538 2.159 . . . . 3.11 112.505 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -115.79 173.63 6.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 2.85 110.549 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -102.56 84.41 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.391 . . . . 7.12 110.743 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -94.56 136.05 35.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 3.46 110.934 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -89.92 -25.52 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 2.81 110.845 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.35 -159.41 8.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.938 -0.648 . . . . 1.18 112.01 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 3.95 110.979 179.795 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.765 0.317 . . . . 2.23 110.527 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.3 p -112.97 100.3 8.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.942 0.401 . . . . 1.98 110.984 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -130.15 101.16 5.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 2.01 110.823 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.405 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 51.0 m . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.213 -0.898 . . . . 2.84 110.888 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.411 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 16.2 p90 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.924 0.392 . . . . 2.41 111.006 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -90.25 132.83 35.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 4.73 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.2 p -102.86 122.55 45.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.477 -0.329 . . . . 1.7 110.97 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 89.1 Cg_endo -81.72 -22.59 5.3 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.44 2.093 . . . . 1.78 112.318 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.438 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 15.4 m-85 -141.9 -48.56 0.37 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 2.98 110.726 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.06 -107.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.843 -0.694 . . . . 2.86 112.287 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.8 t -90.09 9.38 28.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 2.76 111.021 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.85 120.62 12.26 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.82 0.343 . . . . 2.93 111.078 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.8 mt 57.93 25.52 12.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 4.15 111.093 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.8 t -103.94 -75.81 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.356 -0.384 . . . . 2.19 111.035 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 23.2 t70 -150.23 31.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.93 0.395 . . . . 2.9 111.179 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 4.7 p 178.8 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.929 -0.578 . . . . 2.2 110.961 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.85 178.97 17.36 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.99 -0.624 . . . . 3.29 112.064 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -73.51 67.1 4.57 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.564 2.176 . . . . 3.01 112.223 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -142.7 -51.33 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 4.24 111.228 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -89.91 131.72 38.51 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.409 -0.36 . . . . 4.84 111.101 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -83.21 122.03 3.2 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.671 2.247 . . . . 3.11 112.459 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.2 m -98.11 173.49 7.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 2.85 110.825 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -99.93 117.45 34.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 7.12 110.944 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.88 137.69 32.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 3.46 110.83 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.0 m -112.19 -32.35 6.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 2.81 111.107 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -140.69 -140.62 3.89 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 1.18 112.501 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 3.95 110.935 -179.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.998 0.427 . . . . 2.23 110.184 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.8 m -95.37 109.68 21.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.888 -0.596 . . . . 1.98 111.003 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -130.21 122.85 28.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 2.01 111.043 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.6 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.237 -0.887 . . . . 2.84 110.839 179.729 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 16.6 p90 . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.886 0.374 . . . . 2.41 111.081 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -90.3 132.01 35.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 4.73 110.995 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 p -105.95 125.68 32.55 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.355 . . . . 1.7 111.135 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.43 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 85.6 Cg_endo -83.01 -24.06 3.4 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.488 2.125 . . . . 1.78 111.995 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 4.0 m-85 -149.84 -54.0 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 2.98 110.433 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.89 -136.07 2.89 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.064 -0.588 . . . . 2.86 112.074 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 11' ' ' ASP . 26.4 p -90.2 20.94 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 2.76 111.368 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -48.14 -56.89 6.75 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.128 0.418 . . . . 2.93 112.128 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.404 ' N ' HD13 ' A' ' 9' ' ' LEU . 5.9 mp -90.92 20.24 4.99 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.931 0.345 . . . . 4.15 111.931 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 t -126.95 -71.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.832 0.348 . . . . 2.19 111.229 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 7' ' ' CYS . 32.2 m-20 -150.41 -167.7 2.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 2.9 110.093 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 37.08 31.23 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.458 0.54 . . . . 2.2 112.458 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' ASP . . . 47.26 -174.76 0.01 OUTLIER Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.824 -0.703 . . . . 3.29 112.823 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -89.21 66.61 2.51 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.876 2.384 . . . . 3.01 112.443 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -150.0 -42.08 0.13 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.525 -0.307 . . . . 4.24 111.77 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -89.69 131.92 38.35 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.643 0.258 . . . . 4.84 111.253 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -85.72 159.37 10.57 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.722 2.282 . . . . 3.11 112.48 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.4 m -132.11 176.7 8.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.012 -0.54 . . . . 2.85 110.89 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' N ' ' NE ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -89.97 122.07 32.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.859 -0.61 . . . . 7.12 110.947 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -95.0 144.8 25.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 3.46 110.786 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.6 m -116.93 -38.45 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 2.81 111.157 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.91 -139.65 4.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 1.18 112.529 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 3.95 110.861 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 121.083 0.468 . . . . 2.23 109.829 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.3 m -90.05 118.11 29.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.815 -0.629 . . . . 1.98 111.44 -178.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -143.72 126.66 16.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.846 -0.615 . . . . 2.01 110.69 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.195 -0.907 . . . . 2.84 110.877 -179.738 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.3 p90 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.842 0.353 . . . . 2.41 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -89.16 130.57 35.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 4.73 111.061 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.6 p -104.84 117.44 58.8 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 1.7 110.878 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 74.5 Cg_endo -77.69 -28.24 5.45 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.41 2.074 . . . . 1.78 112.43 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.436 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 15.8 m-85 -133.5 -62.84 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 2.98 110.595 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.14 -143.1 3.6 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.844 -0.616 . . . . 2.86 112.01 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 p -90.56 41.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 2.76 110.817 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.75 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.98 -0.554 . . . . 2.93 111.332 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -96.51 29.55 2.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.241 -0.436 . . . . 4.15 110.854 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.1 t -104.53 -85.88 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.251 -0.431 . . . . 2.19 111.485 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 12.3 t70 -150.78 36.19 0.62 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 113.055 0.761 . . . . 2.9 113.055 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 13' ' ' GLY . 1.7 p 171.28 28.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.158 0.799 . . . . 2.2 113.158 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 47.94 176.83 0.01 OUTLIER Glycine 0 CA--C 1.522 0.512 0 C-N-CA 120.853 -0.689 . . . . 3.29 113.526 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -80.9 66.44 8.83 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.564 2.176 . . . . 3.01 112.421 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -150.05 -37.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 4.24 111.627 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 8.7 mpt_? -89.77 139.42 27.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.652 0.263 . . . . 4.84 110.982 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -78.68 156.04 27.67 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.523 2.149 . . . . 3.11 112.382 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.477 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 12.0 m -146.44 170.55 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 2.85 110.653 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.409 ' HD2' ' N ' ' A' ' 19' ' ' ARG . 11.1 mpt_? -89.86 136.78 32.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 7.12 111.053 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -115.93 146.06 42.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 3.46 111.004 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.8 m -109.06 -27.83 9.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 2.81 111.034 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.09 -131.59 1.24 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.698 -0.763 . . . . 1.18 112.508 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 120.787 0.327 . . . . 3.95 110.859 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 N--CA 1.456 -0.153 0 N-CA-C 109.813 -0.44 . . . . 2.23 109.813 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.4 m -89.71 116.22 27.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.808 -0.633 . . . . 1.98 111.359 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -138.62 111.6 7.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.957 -0.565 . . . . 2.01 110.707 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.477 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.244 -0.884 . . . . 2.84 110.896 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.419 ' CD2' HG23 ' A' ' 10' ' ' VAL . 30.4 p90 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.857 0.36 . . . . 2.41 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -90.03 137.38 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 4.73 111.156 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.0 p -104.27 111.23 65.12 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.314 -0.403 . . . . 1.7 110.932 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -69.61 -38.47 8.08 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.425 2.083 . . . . 1.78 112.001 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -123.94 -60.58 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 2.98 110.427 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.68 -143.49 3.72 Favored Glycine 0 N--CA 1.451 -0.367 0 CA-C-N 115.875 -0.602 . . . . 2.86 111.947 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.3 p -90.47 41.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.033 0.444 . . . . 2.76 110.644 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.4 ' HA ' ' HA2' ' A' ' 13' ' ' GLY . . . -49.31 -75.9 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.885 -0.598 . . . . 2.93 112.031 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -94.04 36.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.428 -0.351 . . . . 4.15 111.215 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.419 HG23 ' CD2' ' A' ' 1' ' ' PHE . 60.7 t -106.75 -86.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.524 -0.307 . . . . 2.19 111.377 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -150.86 37.89 0.65 Allowed 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.04 -0.264 . . . . 2.9 111.613 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.41 -44.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.4 0.519 . . . . 2.2 112.4 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 8' ' ' ALA . . . 116.57 175.57 17.72 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.415 -0.898 . . . . 3.29 112.865 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.36 55.38 4.64 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.554 2.17 . . . . 3.01 112.568 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -150.27 -31.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 4.24 111.605 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -89.75 132.15 37.52 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.762 -0.199 . . . . 4.84 110.961 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -82.88 134.08 7.05 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.643 2.229 . . . . 3.11 112.495 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 76.5 m -121.81 176.06 5.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 2.85 110.887 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -89.91 122.67 33.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 7.12 110.847 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -93.21 125.42 37.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 3.46 110.954 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.9 m -89.94 -29.68 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 2.81 111.026 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.25 -125.71 0.79 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 1.18 112.398 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 3.95 110.796 179.938 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.05 0.452 . . . . 2.23 109.902 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 56.0 m -98.35 109.18 21.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.825 -0.625 . . . . 1.98 111.197 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -144.17 119.86 10.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 2.01 110.956 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.6 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.262 -0.875 . . . . 2.84 110.878 179.815 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.432 ' CE2' HG13 ' A' ' 10' ' ' VAL . 46.5 p90 . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.92 0.391 . . . . 2.41 110.949 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -90.14 152.77 20.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 4.73 110.975 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 m -141.38 144.74 35.16 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.238 -0.437 . . . . 1.7 110.707 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.442 ' HB2' ' CE2' ' A' ' 5' ' ' PHE . 73.1 Cg_endo -77.93 -47.11 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.576 2.184 . . . . 1.78 112.511 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -150.21 -48.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.05 -0.523 . . . . 2.98 110.424 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -108.82 -127.94 5.63 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.896 -0.668 . . . . 2.86 111.664 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.423 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 91.5 m -90.11 -78.1 0.38 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.914 0.388 . . . . 2.76 110.804 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 68.92 75.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.051 -0.522 . . . . 2.93 110.498 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.8 tp 69.77 30.1 3.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.014 -0.539 . . . . 4.15 110.679 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.432 HG13 ' CE2' ' A' ' 1' ' ' PHE . 54.9 t -109.87 -79.55 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.44 . . . . 2.19 111.472 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 19.9 t70 -150.25 33.57 0.65 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.713 0.264 . . . . 2.9 111.713 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 2.0 p 176.31 -25.3 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.411 -0.358 . . . . 2.2 111.649 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.78 -176.34 54.09 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.637 -0.792 . . . . 3.29 111.412 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.82 61.26 1.76 Allowed 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.242 1.962 . . . . 3.01 112.024 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -135.96 -65.69 0.58 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.124 -0.489 . . . . 4.24 111.022 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 7.6 mpt_? -89.99 106.97 16.27 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.413 -0.358 . . . . 4.84 110.733 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.15 139.9 36.43 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.515 2.143 . . . . 3.11 112.519 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.5 m -112.37 168.66 9.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 2.85 110.476 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -95.52 127.0 41.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.425 -0.352 . . . . 7.12 110.614 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -89.93 137.46 32.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 3.46 111.118 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.0 m -109.06 -25.94 10.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 2.81 111.006 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.21 -139.73 3.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 1.18 112.518 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 3.95 110.933 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 m . . . . . 0 CA--C 1.523 -0.082 0 CA-C-O 120.842 0.353 . . . . 2.23 110.252 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.3 p -93.25 117.69 30.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 1.98 111.263 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -139.9 107.3 5.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.929 -0.578 . . . . 2.01 110.979 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.2 m . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.186 -0.912 . . . . 2.84 110.815 179.872 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.408 ' CD1' HG11 ' A' ' 10' ' ' VAL . 48.2 p90 . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.86 0.362 . . . . 2.41 110.857 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -90.07 146.24 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 4.73 111.063 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.8 m -120.93 120.89 29.12 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 1.7 111.029 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.431 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 94.4 Cg_endo -85.84 -47.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.637 2.225 . . . . 1.78 112.483 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.431 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.1 m-85 -117.04 -23.58 7.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 2.98 110.889 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.96 -128.35 2.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.792 -0.718 . . . . 2.86 112.438 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 13' ' ' GLY . 50.7 t -89.86 20.78 3.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.82 0.343 . . . . 2.76 110.901 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.469 ' HA ' ' N ' ' A' ' 14' ' ' PRO . . . -50.46 -82.63 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.801 0.334 . . . . 2.93 111.444 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.6 tp -95.74 43.51 1.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.013 0.435 . . . . 4.15 109.998 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.408 HG11 ' CD1' ' A' ' 1' ' ' PHE . 49.2 t -109.57 -84.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.056 -0.52 . . . . 2.19 111.927 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.469 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.0 t70 -150.7 36.91 0.64 Allowed 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 112.465 0.543 . . . . 2.9 112.465 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 8.5 p 178.69 -40.75 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.265 0.468 . . . . 2.2 112.265 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 7' ' ' CYS . . . 126.21 175.9 14.32 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 111.41 -0.676 . . . . 3.29 111.41 -178.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.469 ' N ' ' HA ' ' A' ' 8' ' ' ALA . 88.4 Cg_endo -80.24 67.46 8.61 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.243 1.962 . . . . 3.01 112.201 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -146.29 -32.4 0.34 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.073 -0.512 . . . . 4.24 111.924 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 4.1 mmp_? -89.68 119.25 69.49 Favored Pre-proline 0 C--N 1.332 -0.17 0 CA-C-O 120.54 0.209 . . . . 4.84 111.085 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -81.2 124.07 4.72 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.59 2.193 . . . . 3.11 112.299 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 72.4 m -113.02 174.02 6.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 2.85 110.933 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -97.98 127.04 43.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.951 -0.568 . . . . 7.12 110.806 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.99 124.76 35.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 3.46 110.979 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.1 m -102.39 -30.36 11.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 2.81 110.959 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.4 -141.91 3.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 1.18 112.465 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 3.95 110.908 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 110.149 -0.315 . . . . 2.23 110.149 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.449 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 14.4 p -111.01 102.8 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.49 0.662 . . . . 1.98 111.025 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -122.33 115.54 22.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.655 -0.702 . . . . 2.01 111.069 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.33 -0.843 . . . . 2.84 110.925 179.752 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.7 p90 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.87 0.367 . . . . 2.41 110.937 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -87.94 134.99 33.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.524 . . . . 4.73 111.0 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 p -99.17 127.99 33.22 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.28 -0.418 . . . . 1.7 110.899 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.434 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 91.2 Cg_endo -85.17 -21.11 3.16 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.507 2.138 . . . . 1.78 112.349 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.434 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 13.8 m-85 -144.96 -47.63 0.24 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.181 -0.463 . . . . 2.98 110.653 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.14 -103.48 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.901 -0.666 . . . . 2.86 112.294 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -90.22 14.22 13.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.726 0.298 . . . . 2.76 111.018 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.41 ' HA ' ' N ' ' A' ' 14' ' ' PRO . . . -51.74 -54.57 26.95 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.902 0.382 . . . . 2.93 111.35 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.5 mt -119.26 34.9 5.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.127 -0.488 . . . . 4.15 110.679 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t -100.39 -86.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 2.19 111.44 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -150.65 40.19 0.74 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 111.794 0.294 . . . . 2.9 111.794 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.7 p -176.92 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 2.2 111.664 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.87 -174.61 15.29 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.859 -0.686 . . . . 3.29 111.885 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.41 ' N ' ' HA ' ' A' ' 8' ' ' ALA . 74.5 Cg_endo -74.62 66.09 5.67 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.499 2.133 . . . . 3.01 112.299 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -139.53 -54.99 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 4.24 111.171 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -89.9 128.85 48.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.407 . . . . 4.84 110.94 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -81.5 128.0 5.97 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.467 2.111 . . . . 3.11 112.419 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.7 m -104.32 172.29 6.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 2.85 110.761 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -98.88 128.95 45.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 7.12 111.06 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -98.5 142.47 30.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 3.46 110.773 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 t -115.47 -35.55 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 2.81 111.371 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.64 -136.72 3.61 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.644 -0.789 . . . . 1.18 112.583 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 3.95 110.934 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.041 0.448 . . . . 2.23 110.171 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.5 m -91.07 113.96 26.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.634 . . . . 1.98 111.007 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -139.36 122.38 16.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 2.01 110.948 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.3 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.229 -0.891 . . . . 2.84 110.854 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.441 ' CD1' HG13 ' A' ' 10' ' ' VAL . 22.9 p90 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.879 0.371 . . . . 2.41 111.035 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -90.16 152.41 21.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 4.73 111.087 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.9 t -115.73 101.48 54.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 1.7 111.077 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.43 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 94.2 Cg_endo -80.89 -21.4 6.95 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.433 2.089 . . . . 1.78 112.308 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 12.2 m-85 -144.62 -64.16 0.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 2.98 110.691 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.35 -110.81 0.46 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.891 -0.671 . . . . 2.86 112.219 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.2 t -90.09 11.19 21.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.74 0.305 . . . . 2.76 111.029 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.43 119.19 8.64 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.811 0.339 . . . . 2.93 111.085 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.4 tp 55.28 24.33 6.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 4.15 110.862 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.441 HG13 ' CD1' ' A' ' 1' ' ' PHE . 67.0 t -99.93 -74.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.425 . . . . 2.19 111.023 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.8 t70 -150.11 31.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 2.9 111.258 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 7.7 p 177.03 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 2.2 111.102 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.9 176.65 15.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.962 -0.637 . . . . 3.29 111.861 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.84 70.43 3.54 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.504 2.136 . . . . 3.01 112.43 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -147.06 -52.72 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 4.24 111.472 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.425 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 38.0 ttm180 -90.12 141.69 28.05 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.456 -0.338 . . . . 4.84 111.024 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 16' ' ' ARG . 86.6 Cg_endo -79.18 157.65 26.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.354 2.036 . . . . 3.11 112.232 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.9 m -138.9 171.62 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.428 . . . . 2.85 110.825 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 8.5 mpt_? -89.94 119.87 30.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 7.12 110.87 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -90.09 109.68 20.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 3.46 110.822 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.4 m -90.0 -29.26 18.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 2.81 110.909 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.49 -144.78 4.06 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.82 -0.705 . . . . 1.18 112.456 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.693 0.282 . . . . 3.95 110.975 179.883 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.967 0.413 . . . . 2.23 109.983 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.2 m -89.75 119.83 30.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.916 -0.584 . . . . 1.98 111.217 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -94.64 102.08 13.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.764 -0.653 . . . . 2.01 110.451 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.249 -0.882 . . . . 2.84 110.974 -179.655 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.1 p90 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.787 0.327 . . . . 2.41 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -59.97 118.39 6.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 4.73 110.89 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.69 120.14 56.64 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 1.7 111.005 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.426 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 73.7 Cg_endo -75.89 -18.71 16.66 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.416 2.078 . . . . 1.78 112.454 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.426 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 30.3 m-85 -138.76 -67.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.355 . . . . 2.98 110.943 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -172.05 -97.03 0.1 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 2.86 112.48 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.2 t -90.11 12.67 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 2.76 110.981 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.94 117.77 5.88 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.865 0.364 . . . . 2.93 111.156 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.1 mt 56.23 23.26 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 4.15 111.107 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.9 t -97.62 -74.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.37 . . . . 2.19 110.933 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.2 t70 -150.28 31.65 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.838 0.351 . . . . 2.9 111.244 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 8.7 p 178.52 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 2.2 111.255 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.59 179.01 15.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.96 -0.638 . . . . 3.29 112.1 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -76.77 71.53 6.06 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.685 2.257 . . . . 3.01 112.525 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -149.91 -52.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.383 -0.372 . . . . 4.24 111.46 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -93.35 154.17 41.41 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.425 -0.352 . . . . 4.84 111.174 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -87.67 155.02 7.57 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.868 2.379 . . . . 3.11 112.572 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.7 m -119.05 175.06 5.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 2.85 110.805 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -89.8 83.39 6.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.986 -0.552 . . . . 7.12 110.612 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.458 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 4.6 p-10 -105.79 142.45 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 3.46 111.282 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.9 m -89.86 -25.01 21.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 2.81 110.34 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.12 -170.87 12.13 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.819 -0.628 . . . . 1.18 111.814 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.76 0.314 . . . . 3.95 111.313 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.915 0.388 . . . . 2.23 110.437 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 34.7 m -96.5 112.36 24.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.167 -0.469 . . . . 1.98 111.186 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -133.36 110.35 9.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 2.01 110.995 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.7 m . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.225 -0.893 . . . . 2.84 110.814 179.872 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.444 ' CE2' HG13 ' A' ' 10' ' ' VAL . 43.6 p90 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.906 0.384 . . . . 2.41 110.995 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -89.95 132.72 35.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 4.73 111.075 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -101.96 129.99 25.31 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 1.7 110.838 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.439 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 89.6 Cg_endo -86.69 -21.84 2.12 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.67 2.247 . . . . 1.78 112.597 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.439 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.2 m-85 -142.36 -48.08 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.397 . . . . 2.98 110.799 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.14 -111.78 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.846 -0.692 . . . . 2.86 112.323 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 47.6 t -90.35 17.46 7.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 2.76 111.169 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.31 118.05 10.16 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.822 0.344 . . . . 2.93 111.154 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 54.75 25.43 6.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 4.15 111.003 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.444 HG13 ' CE2' ' A' ' 1' ' ' PHE . 54.5 t -100.4 -73.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 2.19 111.071 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 16.0 m-20 -150.0 31.17 0.7 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.497 -0.319 . . . . 2.9 111.367 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 5.7 p 175.58 -36.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 2.2 111.284 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 7' ' ' CYS . . . 116.18 174.76 17.71 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 111.555 -0.618 . . . . 3.29 111.555 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -73.86 65.0 4.98 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.325 2.017 . . . . 3.01 112.221 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -141.85 -49.38 0.39 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.373 -0.376 . . . . 4.24 111.703 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.444 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 67.1 mtp180 -89.78 124.09 64.71 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.731 -0.213 . . . . 4.84 111.32 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 14.4 Cg_exo -69.07 134.08 28.5 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.463 2.108 . . . . 3.11 111.996 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.6 m -119.01 174.51 6.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 2.85 110.774 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -89.92 121.76 32.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 7.12 111.277 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -97.41 143.58 28.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 3.46 110.756 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.3 m -100.21 -28.05 13.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 2.81 111.105 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.54 -112.11 0.38 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 1.18 112.522 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 3.95 110.874 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 121.108 0.48 . . . . 2.23 110.081 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.6 m -90.01 117.05 28.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.732 -0.667 . . . . 1.98 111.318 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -113.68 129.89 56.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.93 -0.577 . . . . 2.01 110.262 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.303 -0.856 . . . . 2.84 110.896 -179.453 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 32.6 p90 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.981 0.42 . . . . 2.41 110.968 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -90.24 148.56 22.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 4.73 111.156 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.0 m -138.72 125.89 13.17 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 1.7 110.459 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.426 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 83.0 Cg_endo -81.67 -37.47 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.531 2.154 . . . . 1.78 113.0 -179.471 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.426 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.2 m-85 -128.95 -69.84 0.69 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.843 0.354 . . . . 2.98 111.042 -179.676 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -125.27 -148.27 7.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 2.86 112.313 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.6 p -90.36 39.58 0.98 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.719 0.295 . . . . 2.76 111.035 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.45 109.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.391 -0.368 . . . . 2.93 110.973 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.4 tp 60.96 29.72 19.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 4.15 110.433 -179.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.4 t -110.33 -69.66 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 2.19 111.048 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -150.16 27.55 0.76 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.751 0.31 . . . . 2.9 111.532 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 p 168.22 38.57 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.067 -0.515 . . . . 2.2 111.762 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.87 179.89 0.01 OUTLIER Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.226 -0.511 . . . . 3.29 113.34 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -83.25 58.11 6.08 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.737 2.291 . . . . 3.01 112.286 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -131.57 -53.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 4.24 111.228 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -90.04 108.43 26.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 4.84 111.056 -179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.05 154.77 29.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.616 2.21 . . . . 3.11 112.468 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.5 m -121.76 174.93 6.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 2.85 110.909 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -91.19 127.43 36.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 7.12 110.8 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -89.89 131.07 36.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 3.46 110.918 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.8 m -111.52 -27.54 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 2.81 111.319 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.77 -140.41 4.33 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.585 -0.816 . . . . 1.18 112.545 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 3.95 110.871 -179.976 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.758 0.313 . . . . 2.23 110.285 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.0 p -105.64 108.13 19.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.154 0.502 . . . . 1.98 111.034 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -131.32 107.19 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 2.01 110.977 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.261 -0.876 . . . . 2.84 110.828 -179.943 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 12.0 p90 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.914 0.388 . . . . 2.41 110.933 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -90.13 142.97 27.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 4.73 110.979 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.0 m -131.36 112.49 15.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 1.7 110.715 179.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.441 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 98.3 Cg_endo -87.11 -24.71 1.24 Allowed 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.725 2.283 . . . . 1.78 113.042 -179.563 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.441 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 26.5 m-85 -135.61 29.16 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.795 0.331 . . . . 2.98 111.303 -179.6 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.51 -120.64 5.72 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.643 -0.789 . . . . 2.86 112.723 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.1 t -86.52 35.89 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.301 . . . . 2.76 111.295 -179.454 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.29 96.55 1.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 2.93 110.964 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.9 mt 57.31 30.15 18.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 4.15 110.588 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 36.8 t -103.84 -52.65 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 2.19 111.442 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.506 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 21.3 t70 -149.89 30.99 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.978 -0.289 . . . . 2.9 111.768 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.506 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 17.2 p 173.74 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.243 -0.435 . . . . 2.2 111.389 179.72 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.11 159.56 9.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.871 -0.681 . . . . 3.29 111.746 -179.204 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.78 58.93 1.6 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.37 2.046 . . . . 3.01 112.605 -179.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -150.2 22.39 0.85 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.481 . . . . 4.24 111.114 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -143.55 138.64 15.55 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.665 -0.243 . . . . 4.84 111.159 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -81.43 115.15 2.84 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.628 2.219 . . . . 3.11 112.269 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.57 172.47 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 2.85 110.834 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -100.73 108.48 20.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 7.12 111.049 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -94.3 105.71 17.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 3.46 110.765 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.7 m -94.05 -28.98 15.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 2.81 111.263 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.06 -151.61 6.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.628 -0.796 . . . . 1.18 112.658 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 120.828 0.346 . . . . 3.95 110.859 -179.97 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.887 0.375 . . . . 2.23 110.398 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.7 p -89.93 118.43 29.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.082 -0.508 . . . . 1.98 111.138 -179.39 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -117.48 98.94 6.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.951 -0.568 . . . . 2.01 110.744 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.225 -0.893 . . . . 2.84 110.894 -179.952 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.436 ' CE1' HG12 ' A' ' 10' ' ' VAL . 50.9 p90 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.9 0.381 . . . . 2.41 110.893 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -84.79 125.74 32.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 4.73 111.183 -179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.7 p -94.64 120.87 64.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 1.7 110.888 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 97.2 Cg_endo -86.52 -28.85 0.54 Allowed 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.474 2.116 . . . . 1.78 112.363 179.803 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.435 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 2.1 m-85 -150.16 29.12 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 2.98 110.697 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.83 -118.25 6.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 2.86 112.179 -179.623 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -90.22 14.39 12.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.664 0.268 . . . . 2.76 111.077 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.81 113.03 1.86 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.826 0.346 . . . . 2.93 111.09 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 49.91 27.67 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 4.15 111.084 -179.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.436 HG12 ' CE1' ' A' ' 1' ' ' PHE . 51.7 t -98.76 -68.45 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 2.19 111.244 -179.734 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.521 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.0 t70 -149.78 30.85 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.477 -0.328 . . . . 2.9 111.454 -179.712 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 11.4 p 173.96 -36.0 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.167 -0.47 . . . . 2.2 111.489 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.54 167.32 13.37 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.961 -0.638 . . . . 3.29 111.604 -178.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.51 68.66 6.12 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.379 2.052 . . . . 3.01 112.334 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -150.15 -34.54 0.17 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.302 -0.408 . . . . 4.24 111.786 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -89.83 127.95 52.1 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.486 0.184 . . . . 4.84 110.729 -179.563 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.05 163.59 9.52 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.238 1.959 . . . . 3.11 111.894 179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.5 m -147.67 174.25 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.354 -0.385 . . . . 2.85 111.119 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -99.93 96.59 7.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 7.12 110.704 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -89.91 89.83 7.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 3.46 110.708 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.9 m -89.93 -27.45 19.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 2.81 111.168 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.28 -165.81 10.39 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.66 -0.781 . . . . 1.18 112.435 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.9 0.381 . . . . 3.95 110.909 179.949 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.7 m . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.984 0.421 . . . . 2.23 110.502 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.3 m -93.87 110.88 22.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.013 -0.54 . . . . 1.98 111.209 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -92.71 90.0 6.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 2.01 110.414 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.262 -0.875 . . . . 2.84 110.944 -179.495 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.4 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 37.7 p90 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.849 0.357 . . . . 2.41 110.869 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -89.78 150.68 22.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 4.73 111.221 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.0 t -113.87 109.86 49.66 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.956 -0.565 . . . . 1.7 111.066 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 86.5 Cg_endo -84.42 -20.62 3.92 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.516 2.144 . . . . 1.78 112.331 179.71 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.435 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.2 m-85 -143.75 -59.27 0.4 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.258 -0.428 . . . . 2.98 110.76 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -164.42 -112.68 0.27 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.948 -0.644 . . . . 2.86 112.326 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.2 t -90.21 18.67 5.74 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.823 0.344 . . . . 2.76 110.887 179.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.96 117.96 10.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.896 0.379 . . . . 2.93 111.19 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.2 tp 55.98 23.43 6.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 4.15 110.857 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.0 t -98.24 -74.23 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 2.19 110.96 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.452 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 20.2 m-20 -150.25 31.39 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.729 0.3 . . . . 2.9 111.431 179.839 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 6.2 p 177.1 -37.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.107 -0.497 . . . . 2.2 111.262 179.845 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.63 172.66 14.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.895 -0.669 . . . . 3.29 111.883 -179.106 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.27 70.35 2.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.516 2.144 . . . . 3.01 112.351 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -147.33 -46.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 4.24 111.595 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 78.3 mtp180 -92.74 128.52 43.63 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.579 -0.282 . . . . 4.84 111.257 -179.472 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 25.2 Cg_exo -63.14 168.88 10.1 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.383 2.055 . . . . 3.11 112.03 179.466 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.507 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 7.9 m -145.46 171.86 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 2.85 110.867 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -89.97 115.57 27.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 7.12 110.732 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -89.78 100.47 13.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 3.46 110.938 -179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -90.06 -29.31 18.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 2.81 111.011 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.37 -144.77 4.0 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.801 -0.714 . . . . 1.18 112.457 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 3.95 110.88 -179.946 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.917 0.389 . . . . 2.23 110.312 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 18' ' ' CYS . 56.3 m -89.87 111.54 22.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.033 -0.531 . . . . 1.98 111.225 -179.293 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -105.07 91.57 3.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 2.01 111.099 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.507 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.233 -0.889 . . . . 2.84 110.93 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.441 ' CZ ' HG13 ' A' ' 10' ' ' VAL . 37.7 p90 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.986 0.422 . . . . 2.41 110.973 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -57.23 125.27 22.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.973 -0.558 . . . . 4.73 111.344 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 p -96.54 159.61 31.42 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 1.7 110.723 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.414 ' HB2' ' CD2' ' A' ' 5' ' ' PHE . 52.7 Cg_endo -87.5 -69.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.618 2.212 . . . . 1.78 112.653 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.414 ' CD2' ' HB2' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -150.42 25.74 0.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.49 -0.323 . . . . 2.98 111.183 -179.648 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.95 -136.05 5.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.599 -0.81 . . . . 2.86 112.547 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.1 t -90.21 14.66 12.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.607 0.241 . . . . 2.76 111.175 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.426 ' HA ' ' N ' ' A' ' 14' ' ' PRO . . . -68.17 119.56 12.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.837 0.351 . . . . 2.93 111.07 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.412 ' CD1' ' N ' ' A' ' 9' ' ' LEU . 5.6 mp 56.82 25.02 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 4.15 110.855 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.441 HG13 ' CZ ' ' A' ' 1' ' ' PHE . 57.5 t -102.26 -74.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 2.19 111.022 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.446 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.5 t70 -150.18 31.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 2.9 111.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 5.4 p 177.3 -39.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.025 -0.534 . . . . 2.2 111.171 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.89 173.45 14.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.925 -0.655 . . . . 3.29 111.851 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.426 ' N ' ' HA ' ' A' ' 8' ' ' ALA . 68.6 Cg_endo -72.42 69.18 3.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.462 2.108 . . . . 3.01 112.261 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -145.1 -52.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 4.24 111.149 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -89.98 142.9 29.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.36 -0.382 . . . . 4.84 110.777 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -80.67 156.12 21.16 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.574 2.183 . . . . 3.11 112.321 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.0 m -135.12 172.65 12.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 2.85 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -89.76 97.82 11.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 7.12 111.158 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -107.43 108.45 19.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 3.46 110.755 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.2 m -106.27 -26.13 11.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 2.81 111.359 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.47 153.44 19.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.635 -0.793 . . . . 1.18 112.614 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.8 116.28 1.57 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.784 0.326 . . . . 3.95 110.961 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.3 m -150.47 61.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.023 -0.535 . . . . 2.23 110.228 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.5 m -89.83 115.24 27.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.914 -0.585 . . . . 1.98 111.223 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -103.77 112.22 25.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.002 -0.544 . . . . 2.01 110.468 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.293 -0.861 . . . . 2.84 110.984 -179.559 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 39.4 p90 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.96 0.41 . . . . 2.41 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.41 ' HB2' ' HB2' ' A' ' 24' ' ' SME . 45.1 p90 -86.2 144.97 27.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.948 -0.569 . . . . 4.73 111.261 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.6 p -101.32 146.8 32.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 1.7 110.883 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.421 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 90.2 Cg_endo -88.25 -17.23 2.46 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.792 2.328 . . . . 1.78 112.793 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.421 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 22.2 m-85 -146.07 -67.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 2.98 110.915 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -153.2 -118.79 0.73 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.811 -0.709 . . . . 2.86 112.44 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.1 t -78.95 0.41 27.57 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.569 0.224 . . . . 2.76 111.272 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.02 120.89 7.0 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.805 0.336 . . . . 2.93 111.284 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt 55.26 23.91 5.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 4.15 111.026 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 52.4 t -102.72 -72.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.302 -0.408 . . . . 2.19 111.037 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 39.6 m-20 -150.09 31.62 0.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.567 -0.288 . . . . 2.9 111.526 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 11.9 p 176.04 -38.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.203 -0.453 . . . . 2.2 111.318 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 115.58 174.02 17.71 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.031 -0.604 . . . . 3.29 111.592 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.58 65.08 3.81 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.333 2.022 . . . . 3.01 112.124 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -146.14 -50.89 0.23 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.289 -0.414 . . . . 4.24 111.523 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -94.88 150.73 38.25 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.715 0.293 . . . . 4.84 110.784 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.23 149.65 40.92 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.392 2.061 . . . . 3.11 112.4 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -126.4 173.75 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 2.85 110.635 -179.793 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.72 93.95 5.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.258 -0.428 . . . . 7.12 110.751 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -118.92 138.59 52.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 3.46 111.144 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.1 m -89.83 -25.83 20.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 2.81 110.716 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.4 -169.93 11.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.958 -0.639 . . . . 1.18 112.072 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -90.35 45.34 1.26 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.845 0.355 . . . . 3.95 111.067 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SME . . . . . 0.41 ' HB2' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.0 m -150.83 63.43 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.348 . . . . 2.23 110.741 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 92.8 m -89.87 116.05 27.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.118 0.485 . . . . 1.98 111.221 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -135.02 110.79 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.78 -0.645 . . . . 2.01 110.551 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 54.3 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.194 -0.908 . . . . 2.84 110.799 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.4 ' CZ ' ' OD2' ' A' ' 27' ' ' ASP . 30.6 p90 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.949 0.404 . . . . 2.41 111.043 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -82.42 144.18 30.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.052 -0.522 . . . . 4.73 111.16 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.2 p -106.59 117.39 57.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 1.7 110.944 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 97.4 Cg_endo -86.25 -22.57 2.14 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.409 2.072 . . . . 1.78 112.378 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.442 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.0 m-85 -149.98 22.95 0.86 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.413 -0.358 . . . . 2.98 111.161 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.13 -108.34 3.33 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.663 -0.78 . . . . 2.86 112.706 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.9 t -89.34 11.72 18.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.63 0.253 . . . . 2.76 111.173 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.29 -43.05 70.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.835 0.35 . . . . 2.93 111.559 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.99 33.59 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 4.15 110.812 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.5 t -102.49 -87.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 2.19 111.403 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -150.62 41.06 0.77 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.638 0.256 . . . . 2.9 111.545 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 p -175.79 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.919 0.39 . . . . 2.2 111.626 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.77 -173.84 15.54 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.946 -0.645 . . . . 3.29 111.784 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -72.96 67.16 4.05 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.372 2.048 . . . . 3.01 112.339 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -143.67 -54.01 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 4.24 111.103 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -89.91 134.69 31.43 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.482 -0.327 . . . . 4.84 110.853 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -84.08 123.42 3.12 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.678 2.252 . . . . 3.11 112.423 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 72.0 m -98.59 172.14 7.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 2.85 110.88 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -90.61 120.53 31.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 7.12 110.874 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -101.1 112.93 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 3.46 110.861 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.5 m -91.93 -31.17 15.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 2.81 110.913 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.39 -153.25 6.17 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.83 -0.7 . . . . 1.18 112.32 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -90.1 117.37 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 3.95 110.843 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.0 p -150.88 61.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.97 -0.559 . . . . 2.23 110.261 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 57.1 m -91.63 115.42 28.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.035 -0.529 . . . . 1.98 110.961 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' OD2' ' CZ ' ' A' ' 1' ' ' PHE . 7.4 m-20 -127.83 125.37 39.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.053 -0.521 . . . . 2.01 111.108 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.25 -0.881 . . . . 2.84 110.879 179.796 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.7 p90 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.937 0.398 . . . . 2.41 110.845 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.416 ' HB3' ' HB3' ' A' ' 24' ' ' SME . 41.5 m-85 -90.05 146.82 24.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 4.73 110.96 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 6' ' ' GLY . 30.9 p -113.23 111.53 50.06 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.4 -0.364 . . . . 1.7 111.055 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.43 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 91.2 Cg_endo -87.71 -24.4 1.13 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.673 2.248 . . . . 1.78 112.875 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 4.3 m-85 -150.05 49.44 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.772 0.32 . . . . 2.98 110.841 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.491 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . 93.17 -152.03 20.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 2.86 111.964 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.4 p -89.54 39.3 0.94 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.899 0.38 . . . . 2.76 111.0 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.45 124.15 21.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 2.93 110.517 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 28.1 tp 63.96 16.09 9.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.331 -0.395 . . . . 4.15 110.5 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.3 t -101.12 -80.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.449 -0.341 . . . . 2.19 110.765 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -150.5 30.34 0.68 Allowed 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.848 0.356 . . . . 2.9 111.173 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 p 171.97 30.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.193 -0.458 . . . . 2.2 112.13 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 44.56 -171.05 0.01 OUTLIER Glycine 0 C--N 1.334 0.43 0 C-N-CA 121.099 -0.572 . . . . 3.29 113.33 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -87.17 55.04 2.97 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.693 2.262 . . . . 3.01 112.386 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -150.08 23.61 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 4.24 111.37 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -150.1 124.02 4.52 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.574 -0.284 . . . . 4.84 110.926 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.66 144.91 15.93 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.54 2.16 . . . . 3.11 112.641 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.9 m -125.53 172.8 9.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.519 . . . . 2.85 110.683 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -90.39 103.37 16.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 7.12 110.883 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.89 141.86 28.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 3.46 110.978 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.7 t -105.92 -25.55 12.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 2.81 111.281 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.58 -140.99 3.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.633 -0.794 . . . . 1.18 112.6 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -90.03 111.18 22.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 3.95 110.841 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SME . . . . . 0.416 ' HB3' ' HB3' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.6 p -150.33 63.52 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.686 -0.688 . . . . 2.23 109.436 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.3 m -89.98 119.6 30.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.527 -0.761 . . . . 1.98 111.412 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -142.05 113.81 7.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.882 -0.599 . . . . 2.01 110.794 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.3 m . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.278 -0.868 . . . . 2.84 110.853 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.431 ' CE2' HG21 ' A' ' 10' ' ' VAL . 27.0 p90 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.966 0.413 . . . . 2.41 110.99 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.458 ' HB3' ' HB3' ' A' ' 24' ' ' SME . 81.8 m-85 -89.96 139.25 30.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.533 . . . . 4.73 110.995 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.9 p -106.79 122.81 40.54 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.535 -0.302 . . . . 1.7 111.019 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.441 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 90.6 Cg_endo -83.82 -32.62 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.574 2.182 . . . . 1.78 112.434 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.3 m-85 -135.73 -65.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 2.98 110.635 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.63 -136.85 3.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.029 -0.605 . . . . 2.86 112.004 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.5 p -90.46 41.63 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.006 0.431 . . . . 2.76 110.805 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.95 -26.22 14.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.975 -0.557 . . . . 2.93 111.584 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.1 tp -148.05 41.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 4.15 111.04 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.431 HG21 ' CE2' ' A' ' 1' ' ' PHE . 19.1 t -118.77 -77.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.633 -0.258 . . . . 2.19 111.464 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -150.44 37.0 0.66 Allowed 'General case' 0 C--O 1.231 0.09 0 N-CA-C 112.193 0.442 . . . . 2.9 112.193 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 p 173.62 27.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.432 0.531 . . . . 2.2 112.432 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.31 -164.95 0.01 OUTLIER Glycine 0 CA--C 1.521 0.457 0 C-N-CA 121.135 -0.555 . . . . 3.29 113.351 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -86.21 67.27 5.03 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.726 2.284 . . . . 3.01 112.428 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -146.24 -46.34 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.353 -0.385 . . . . 4.24 111.264 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -96.44 148.68 34.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 4.84 110.89 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.5 168.49 24.21 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.467 2.112 . . . . 3.11 112.192 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 28' ' ' CYS . 0.1 OUTLIER -141.61 172.22 12.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 2.85 110.741 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -100.66 121.4 41.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 7.12 110.844 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.98 134.26 34.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 3.46 110.955 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.9 m -113.54 -33.49 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 2.81 110.974 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -157.34 -134.43 1.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.823 -0.703 . . . . 1.18 112.524 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.02 104.1 16.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 3.95 110.939 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SME . . . . . 0.458 ' HB3' ' HB3' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.3 p -150.73 64.67 0.93 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.828 -0.624 . . . . 2.23 109.873 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 86.1 m -89.8 117.75 28.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.807 -0.633 . . . . 1.98 111.283 -178.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -122.91 114.14 20.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.56 . . . . 2.01 110.743 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.412 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 50.6 m . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.231 -0.89 . . . . 2.84 110.888 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.438 ' CE1' HG21 ' A' ' 10' ' ' VAL . 23.6 p90 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.972 0.415 . . . . 2.41 110.998 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.428 ' HB2' ' HB3' ' A' ' 24' ' ' SME . 51.8 p90 -89.99 138.09 31.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.016 -0.538 . . . . 4.73 111.151 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.1 p -103.71 126.79 30.98 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 1.7 110.825 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.448 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 83.3 Cg_endo -82.55 -23.81 3.88 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.576 2.184 . . . . 1.78 112.384 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.448 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.0 m-85 -139.64 -56.68 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 2.98 110.555 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.23 -104.3 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.979 -0.629 . . . . 2.86 112.257 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 41.8 t -90.41 39.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 2.76 110.87 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -46.69 -59.61 2.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.448 -0.342 . . . . 2.93 111.543 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.3 mt -138.79 50.82 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 4.15 110.791 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.438 HG21 ' CE1' ' A' ' 1' ' ' PHE . 62.9 t -103.03 -88.16 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 116.237 -0.438 . . . . 2.19 111.503 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -150.56 38.42 0.69 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.75 0.31 . . . . 2.9 110.943 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.7 p -176.8 21.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.326 0.491 . . . . 2.2 112.326 -179.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.16 -175.18 0.02 OUTLIER Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.597 -0.811 . . . . 3.29 112.52 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.6 59.77 6.35 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.416 2.077 . . . . 3.01 112.21 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -135.41 -56.17 0.8 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.438 . . . . 4.24 111.183 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.2 mmm-85 -89.76 134.26 32.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.402 -0.363 . . . . 4.84 110.839 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -81.57 148.1 15.95 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.624 2.216 . . . . 3.11 112.649 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -122.13 168.99 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 2.85 110.82 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 125.11 44.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 7.12 111.0 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -116.49 142.27 47.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 3.46 110.756 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.0 m -113.22 -18.4 12.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.406 -0.361 . . . . 2.81 111.619 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.61 -156.79 8.73 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.459 -0.877 . . . . 1.18 112.699 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -84.15 105.59 15.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 3.95 110.649 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SME . . . . . 0.428 ' HB3' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 m -150.31 62.59 0.96 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.807 -0.633 . . . . 2.23 109.678 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.0 m -89.85 118.02 29.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.584 -0.734 . . . . 1.98 111.149 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -137.6 121.59 17.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 2.01 111.038 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 m . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.219 -0.896 . . . . 2.84 110.787 179.675 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.417 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 19.6 p90 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.954 0.407 . . . . 2.41 110.992 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -90.3 145.83 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 4.73 111.198 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -139.98 129.56 13.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 1.7 110.114 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.63 -46.57 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.506 2.138 . . . . 1.78 113.173 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -127.98 -68.79 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 2.98 110.525 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -108.24 -114.44 3.78 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.771 -0.728 . . . . 2.86 111.832 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.423 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 94.1 m -89.17 -74.86 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 2.76 110.711 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 71.98 72.48 0.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.609 . . . . 2.93 110.439 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.7 mt 67.37 31.79 6.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.878 -0.601 . . . . 4.15 110.868 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' A' ' 7' ' ' CYS . 59.5 t -108.49 -75.87 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.203 -0.453 . . . . 2.19 111.339 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.482 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 20.2 t70 -150.26 33.99 0.65 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.756 0.28 . . . . 2.9 111.756 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 1.9 p 176.08 -28.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.355 -0.384 . . . . 2.2 111.392 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.05 -176.53 47.28 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.698 -0.763 . . . . 3.29 111.627 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.49 63.7 2.22 Favored 'Trans proline' 0 CA--C 1.527 0.174 0 C-N-CA 122.333 2.022 . . . . 3.01 112.07 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -142.34 -63.58 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 4.24 111.412 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -89.76 109.92 35.84 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.465 -0.334 . . . . 4.84 110.98 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.37 142.29 40.69 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.443 2.095 . . . . 3.11 112.426 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.2 m -109.15 174.51 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 2.85 110.803 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.439 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 7.8 mpt_? -89.86 124.15 34.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 7.12 110.545 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.76 128.31 36.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 3.46 110.928 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 t -108.85 -27.17 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 2.81 111.212 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.8 -137.86 3.07 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.565 -0.826 . . . . 1.18 112.645 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -90.06 107.08 18.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 3.95 110.941 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 t -149.88 103.33 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 2.23 110.482 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.2 p -104.23 106.84 17.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 1.98 111.054 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -120.43 98.94 6.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 2.01 111.181 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.27 -0.872 . . . . 2.84 110.847 179.784 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.1 p90 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.929 0.395 . . . . 2.41 110.966 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -90.02 136.39 33.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 4.73 110.986 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 p -103.9 132.81 20.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 1.7 110.986 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.44 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 88.1 Cg_endo -84.95 -20.35 3.58 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.54 2.16 . . . . 1.78 112.475 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.0 m-85 -144.12 -65.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 2.98 110.813 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -158.91 -104.9 0.21 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.861 -0.685 . . . . 2.86 112.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -90.13 10.79 23.04 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.797 0.332 . . . . 2.76 110.851 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.17 -71.92 0.06 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.789 0.328 . . . . 2.93 111.442 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.404 ' N ' HD13 ' A' ' 9' ' ' LEU . 5.7 mp -98.17 33.11 2.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 4.15 110.655 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.3 t -101.93 -88.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.343 -0.389 . . . . 2.19 111.525 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -150.72 38.68 0.69 Allowed 'General case' 0 CA--C 1.527 0.074 0 N-CA-C 112.126 0.417 . . . . 2.9 112.126 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.4 p -177.54 -40.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.813 -0.355 . . . . 2.2 111.889 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.58 179.28 16.24 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.813 -0.708 . . . . 3.29 111.965 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.51 66.0 2.93 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.53 2.153 . . . . 3.01 112.29 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -140.88 -49.39 0.43 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 4.24 111.293 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -94.15 144.19 27.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.452 -0.34 . . . . 4.84 111.077 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -78.17 168.47 21.77 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.644 2.23 . . . . 3.11 112.284 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.54 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 3.4 m -145.24 165.69 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 2.85 110.715 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' N ' ' HD3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -89.9 87.23 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 7.12 110.482 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.483 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 4.7 p-10 -116.92 138.81 51.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 3.46 111.407 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.7 m -89.85 -23.27 21.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.913 -0.585 . . . . 2.81 110.19 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.9 -172.98 13.76 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.772 -0.649 . . . . 1.18 111.737 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.23 50.28 1.83 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.718 0.294 . . . . 3.95 111.039 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.3 m -151.26 66.76 0.9 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.763 0.316 . . . . 2.23 110.764 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.483 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 61.2 m -98.08 109.82 22.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.991 0.424 . . . . 1.98 111.352 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -118.43 100.0 7.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.843 -0.617 . . . . 2.01 110.91 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.54 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.218 -0.896 . . . . 2.84 110.961 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 22.5 p90 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.904 0.383 . . . . 2.41 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -90.19 147.33 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 4.73 111.143 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -141.98 128.55 11.13 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.079 -0.51 . . . . 1.7 110.291 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 84.7 Cg_endo -81.56 -44.6 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.504 2.136 . . . . 1.78 112.902 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.403 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 3.1 m-85 -125.4 -68.77 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 2.98 110.68 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.41 -110.28 3.15 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.813 -0.708 . . . . 2.86 111.867 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.426 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 98.8 m -90.12 -77.15 0.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.937 0.398 . . . . 2.76 110.854 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 73.38 73.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.912 -0.585 . . . . 2.93 110.179 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' CD1' ' N ' ' A' ' 9' ' ' LEU . 5.2 mp 65.75 34.18 7.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.833 -0.621 . . . . 4.15 110.602 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 7' ' ' CYS . 52.1 t -110.29 -75.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 2.19 111.546 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 20.2 m-20 -150.17 34.16 0.66 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.862 0.319 . . . . 2.9 111.862 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.476 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 2.5 p 176.32 -31.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.437 -0.347 . . . . 2.2 111.382 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.25 -172.85 42.03 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.793 -0.718 . . . . 3.29 111.515 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.04 64.55 6.94 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.278 1.985 . . . . 3.01 112.222 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -144.42 -50.8 0.29 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.351 -0.386 . . . . 4.24 111.608 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 88.5 mtt180 -96.85 137.92 21.35 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.57 0.224 . . . . 4.84 110.912 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.03 162.99 36.16 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.604 2.203 . . . . 3.11 112.44 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.525 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 13.4 m -142.3 161.61 37.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 2.85 110.711 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -89.98 124.01 34.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 7.12 110.907 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -90.0 137.01 32.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 3.46 110.853 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.1 t -127.67 -42.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 2.81 111.292 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -134.75 -178.74 15.87 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.671 -0.776 . . . . 1.18 112.642 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.98 103.33 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.738 0.304 . . . . 3.95 111.138 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SME . . . . . 0.402 ' OE ' ' N ' ' A' ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.4 m -150.31 110.17 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 2.23 110.234 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.9 p -109.14 104.72 13.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.049 0.452 . . . . 1.98 111.189 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.23 88.14 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.904 -0.589 . . . . 2.01 111.061 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.525 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.2 p . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.276 -0.869 . . . . 2.84 110.978 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 33.0 p90 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.973 0.416 . . . . 2.41 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -59.01 131.69 51.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 4.73 111.153 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.4 m -118.46 161.8 33.58 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.188 -0.46 . . . . 1.7 110.906 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.447 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 32.1 Cg_exo -57.28 -63.24 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.471 2.114 . . . . 1.78 112.722 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -149.68 -52.73 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.115 -0.493 . . . . 2.98 111.043 -179.086 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.87 -154.48 22.56 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.714 -0.755 . . . . 2.86 112.302 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 p -90.42 39.14 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 2.76 111.122 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 120.65 10.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.346 -0.388 . . . . 2.93 111.166 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.2 tp 60.35 28.67 18.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 4.15 110.709 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.2 t -109.34 -77.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 2.19 111.077 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -150.45 31.13 0.66 Allowed 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.872 0.368 . . . . 2.9 110.875 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.87 -31.43 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.13 -0.486 . . . . 2.2 111.7 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.89 176.67 43.94 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.557 -0.83 . . . . 3.29 113.026 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.38 64.57 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.671 2.247 . . . . 3.01 112.336 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -150.06 -45.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 4.24 110.933 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -96.31 142.52 24.67 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 4.84 110.84 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.43 139.03 28.14 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.538 2.159 . . . . 3.11 112.505 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -115.79 173.63 6.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 2.85 110.549 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -102.56 84.41 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.391 . . . . 7.12 110.743 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -94.56 136.05 35.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 3.46 110.934 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -89.92 -25.52 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 2.81 110.845 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.35 -159.41 8.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.938 -0.648 . . . . 1.18 112.01 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -90.4 44.8 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 3.95 110.979 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 t -150.38 105.79 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.424 -0.353 . . . . 2.23 110.527 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.3 p -112.97 100.3 8.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.942 0.401 . . . . 1.98 110.984 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -130.15 101.16 5.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 2.01 110.823 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 51.0 m . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.213 -0.898 . . . . 2.84 110.888 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.411 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 16.2 p90 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.924 0.392 . . . . 2.41 111.006 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -90.25 132.83 35.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 4.73 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.2 p -102.86 122.55 45.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.477 -0.329 . . . . 1.7 110.97 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 89.1 Cg_endo -81.72 -22.59 5.3 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.44 2.093 . . . . 1.78 112.318 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 15.4 m-85 -141.9 -48.56 0.37 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 2.98 110.726 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.06 -107.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.843 -0.694 . . . . 2.86 112.287 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.8 t -90.09 9.38 28.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 2.76 111.021 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.85 120.62 12.26 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.82 0.343 . . . . 2.93 111.078 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.8 mt 57.93 25.52 12.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 4.15 111.093 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.8 t -103.94 -75.81 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.356 -0.384 . . . . 2.19 111.035 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.425 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 23.2 t70 -150.23 31.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.93 0.395 . . . . 2.9 111.179 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 4.7 p 178.8 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.929 -0.578 . . . . 2.2 110.961 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.85 178.97 17.36 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.99 -0.624 . . . . 3.29 112.064 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -73.51 67.1 4.57 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.564 2.176 . . . . 3.01 112.223 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -142.7 -51.33 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 4.24 111.228 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -89.91 131.72 38.51 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.409 -0.36 . . . . 4.84 111.101 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -83.21 122.03 3.2 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.671 2.247 . . . . 3.11 112.459 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.2 m -98.11 173.49 7.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 2.85 110.825 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' N ' ' HD3' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -99.93 117.45 34.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 7.12 110.944 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.88 137.69 32.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 3.46 110.83 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.0 m -112.19 -32.35 6.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 2.81 111.107 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -140.69 -140.62 3.89 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 1.18 112.501 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -90.01 108.61 19.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 3.95 110.935 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t -150.34 64.05 0.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.062 -0.517 . . . . 2.23 110.184 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 58.8 m -95.37 109.68 21.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.888 -0.596 . . . . 1.98 111.003 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -130.21 122.85 28.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 2.01 111.043 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.6 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.237 -0.887 . . . . 2.84 110.839 179.729 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 16.6 p90 . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.886 0.374 . . . . 2.41 111.081 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -90.3 132.01 35.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 4.73 110.995 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 p -105.95 125.68 32.55 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.355 . . . . 1.7 111.135 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.43 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 85.6 Cg_endo -83.01 -24.06 3.4 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.488 2.125 . . . . 1.78 111.995 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 4.0 m-85 -149.84 -54.0 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 2.98 110.433 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.89 -136.07 2.89 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.064 -0.588 . . . . 2.86 112.074 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 11' ' ' ASP . 26.4 p -90.2 20.94 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 2.76 111.368 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -48.14 -56.89 6.75 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.128 0.418 . . . . 2.93 112.128 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.404 ' N ' HD13 ' A' ' 9' ' ' LEU . 5.9 mp -90.92 20.24 4.99 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.931 0.345 . . . . 4.15 111.931 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 t -126.95 -71.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.832 0.348 . . . . 2.19 111.229 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 7' ' ' CYS . 32.2 m-20 -150.41 -167.7 2.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 2.9 110.093 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 37.08 31.23 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.458 0.54 . . . . 2.2 112.458 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' ASP . . . 47.26 -174.76 0.01 OUTLIER Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.824 -0.703 . . . . 3.29 112.823 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -89.21 66.61 2.51 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.876 2.384 . . . . 3.01 112.443 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -150.0 -42.08 0.13 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.525 -0.307 . . . . 4.24 111.77 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -89.69 131.92 38.35 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.643 0.258 . . . . 4.84 111.253 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -85.72 159.37 10.57 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.722 2.282 . . . . 3.11 112.48 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 95.4 m -132.11 176.7 8.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.012 -0.54 . . . . 2.85 110.89 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' N ' ' NE ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -89.97 122.07 32.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.859 -0.61 . . . . 7.12 110.947 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -95.0 144.8 25.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 3.46 110.786 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.6 m -116.93 -38.45 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 2.81 111.157 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.91 -139.65 4.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 1.18 112.529 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -90.08 105.55 17.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 3.95 110.861 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t -150.75 65.6 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.936 -0.575 . . . . 2.23 109.829 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.3 m -90.05 118.11 29.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.815 -0.629 . . . . 1.98 111.44 -178.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -143.72 126.66 16.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.846 -0.615 . . . . 2.01 110.69 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.195 -0.907 . . . . 2.84 110.877 -179.738 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.3 p90 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.842 0.353 . . . . 2.41 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -89.16 130.57 35.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 4.73 111.061 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.6 p -104.84 117.44 58.8 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 1.7 110.878 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.436 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 74.5 Cg_endo -77.69 -28.24 5.45 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.41 2.074 . . . . 1.78 112.43 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.436 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 15.8 m-85 -133.5 -62.84 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 2.98 110.595 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.14 -143.1 3.6 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.844 -0.616 . . . . 2.86 112.01 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 28.9 p -90.56 41.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 2.76 110.817 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.75 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.98 -0.554 . . . . 2.93 111.332 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -96.51 29.55 2.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.241 -0.436 . . . . 4.15 110.854 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 58.1 t -104.53 -85.88 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.251 -0.431 . . . . 2.19 111.485 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 12.3 t70 -150.78 36.19 0.62 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 113.055 0.761 . . . . 2.9 113.055 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 13' ' ' GLY . 1.7 p 171.28 28.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.158 0.799 . . . . 2.2 113.158 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 47.94 176.83 0.01 OUTLIER Glycine 0 CA--C 1.522 0.512 0 C-N-CA 120.853 -0.689 . . . . 3.29 113.526 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -80.9 66.44 8.83 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.564 2.176 . . . . 3.01 112.421 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -150.05 -37.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 4.24 111.627 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 8.7 mpt_? -89.77 139.42 27.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.652 0.263 . . . . 4.84 110.982 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -78.68 156.04 27.67 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.523 2.149 . . . . 3.11 112.382 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.477 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 12.0 m -146.44 170.55 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 2.85 110.653 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.409 ' HD2' ' N ' ' A' ' 19' ' ' ARG . 11.1 mpt_? -89.86 136.78 32.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 7.12 111.053 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -115.93 146.06 42.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 3.46 111.004 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.8 m -109.06 -27.83 9.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 2.81 111.034 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.09 -131.59 1.24 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.698 -0.763 . . . . 1.18 112.508 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.05 113.51 25.22 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.787 0.327 . . . . 3.95 110.859 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.5 p -150.84 65.54 0.92 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.766 -0.652 . . . . 2.23 109.813 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.4 m -89.71 116.22 27.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.808 -0.633 . . . . 1.98 111.359 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -138.62 111.6 7.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.957 -0.565 . . . . 2.01 110.707 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.477 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.244 -0.884 . . . . 2.84 110.896 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.419 ' CD2' HG23 ' A' ' 10' ' ' VAL . 30.4 p90 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.857 0.36 . . . . 2.41 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -90.03 137.38 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 4.73 111.156 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.0 p -104.27 111.23 65.12 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.314 -0.403 . . . . 1.7 110.932 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -69.61 -38.47 8.08 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.425 2.083 . . . . 1.78 112.001 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -123.94 -60.58 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 2.98 110.427 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -151.68 -143.49 3.72 Favored Glycine 0 N--CA 1.451 -0.367 0 CA-C-N 115.875 -0.602 . . . . 2.86 111.947 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.3 p -90.47 41.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.033 0.444 . . . . 2.76 110.644 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.4 ' HA ' ' HA2' ' A' ' 13' ' ' GLY . . . -49.31 -75.9 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.885 -0.598 . . . . 2.93 112.031 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -94.04 36.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.428 -0.351 . . . . 4.15 111.215 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.419 HG23 ' CD2' ' A' ' 1' ' ' PHE . 60.7 t -106.75 -86.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.524 -0.307 . . . . 2.19 111.377 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -150.86 37.89 0.65 Allowed 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.04 -0.264 . . . . 2.9 111.613 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.41 -44.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.4 0.519 . . . . 2.2 112.4 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 8' ' ' ALA . . . 116.57 175.57 17.72 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.415 -0.898 . . . . 3.29 112.865 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.36 55.38 4.64 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.554 2.17 . . . . 3.01 112.568 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -150.27 -31.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 4.24 111.605 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -89.75 132.15 37.52 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.762 -0.199 . . . . 4.84 110.961 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -82.88 134.08 7.05 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.643 2.229 . . . . 3.11 112.495 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 76.5 m -121.81 176.06 5.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 2.85 110.887 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -89.91 122.67 33.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 7.12 110.847 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -93.21 125.42 37.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 3.46 110.954 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.9 m -89.94 -29.68 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 2.81 111.026 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.25 -125.71 0.79 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 1.18 112.398 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -90.04 107.69 19.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 3.95 110.796 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.4 m -150.51 67.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.87 -0.604 . . . . 2.23 109.902 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 56.0 m -98.35 109.18 21.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.825 -0.625 . . . . 1.98 111.197 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -144.17 119.86 10.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 2.01 110.956 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.6 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.262 -0.875 . . . . 2.84 110.878 179.815 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.432 ' CE2' HG13 ' A' ' 10' ' ' VAL . 46.5 p90 . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.92 0.391 . . . . 2.41 110.949 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -90.14 152.77 20.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 4.73 110.975 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 m -141.38 144.74 35.16 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.238 -0.437 . . . . 1.7 110.707 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.442 ' HB2' ' CE2' ' A' ' 5' ' ' PHE . 73.1 Cg_endo -77.93 -47.11 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.576 2.184 . . . . 1.78 112.511 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.442 ' CE2' ' HB2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -150.21 -48.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.05 -0.523 . . . . 2.98 110.424 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -108.82 -127.94 5.63 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.896 -0.668 . . . . 2.86 111.664 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.423 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 91.5 m -90.11 -78.1 0.38 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.914 0.388 . . . . 2.76 110.804 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 68.92 75.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.051 -0.522 . . . . 2.93 110.498 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 22.8 tp 69.77 30.1 3.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.014 -0.539 . . . . 4.15 110.679 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.432 HG13 ' CE2' ' A' ' 1' ' ' PHE . 54.9 t -109.87 -79.55 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.44 . . . . 2.19 111.472 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 19.9 t70 -150.25 33.57 0.65 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.713 0.264 . . . . 2.9 111.713 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 2.0 p 176.31 -25.3 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.411 -0.358 . . . . 2.2 111.649 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.78 -176.34 54.09 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.637 -0.792 . . . . 3.29 111.412 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.82 61.26 1.76 Allowed 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.242 1.962 . . . . 3.01 112.024 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -135.96 -65.69 0.58 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.124 -0.489 . . . . 4.24 111.022 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 7.6 mpt_? -89.99 106.97 16.27 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.413 -0.358 . . . . 4.84 110.733 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.15 139.9 36.43 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.515 2.143 . . . . 3.11 112.519 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.5 m -112.37 168.66 9.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 2.85 110.476 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -95.52 127.0 41.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.425 -0.352 . . . . 7.12 110.614 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -89.93 137.46 32.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 3.46 111.118 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.0 m -109.06 -25.94 10.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 2.81 111.006 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.21 -139.73 3.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 1.18 112.518 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.05 103.15 15.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 3.95 110.933 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 m -150.4 96.06 2.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.95 -0.568 . . . . 2.23 110.252 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.3 p -93.25 117.69 30.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 1.98 111.263 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -139.9 107.3 5.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.929 -0.578 . . . . 2.01 110.979 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.2 m . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.186 -0.912 . . . . 2.84 110.815 179.872 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.408 ' CD1' HG11 ' A' ' 10' ' ' VAL . 48.2 p90 . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.86 0.362 . . . . 2.41 110.857 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -90.07 146.24 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 4.73 111.063 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.8 m -120.93 120.89 29.12 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 1.7 111.029 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.431 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 94.4 Cg_endo -85.84 -47.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.637 2.225 . . . . 1.78 112.483 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.431 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.1 m-85 -117.04 -23.58 7.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 2.98 110.889 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.96 -128.35 2.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.792 -0.718 . . . . 2.86 112.438 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 13' ' ' GLY . 50.7 t -89.86 20.78 3.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.82 0.343 . . . . 2.76 110.901 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.469 ' HA ' ' N ' ' A' ' 14' ' ' PRO . . . -50.46 -82.63 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.801 0.334 . . . . 2.93 111.444 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.6 tp -95.74 43.51 1.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.013 0.435 . . . . 4.15 109.998 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.408 HG11 ' CD1' ' A' ' 1' ' ' PHE . 49.2 t -109.57 -84.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.056 -0.52 . . . . 2.19 111.927 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.469 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.0 t70 -150.7 36.91 0.64 Allowed 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 112.465 0.543 . . . . 2.9 112.465 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.469 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 8.5 p 178.69 -40.75 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.265 0.468 . . . . 2.2 112.265 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 7' ' ' CYS . . . 126.21 175.9 14.32 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 111.41 -0.676 . . . . 3.29 111.41 -178.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.469 ' N ' ' HA ' ' A' ' 8' ' ' ALA . 88.4 Cg_endo -80.24 67.46 8.61 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.243 1.962 . . . . 3.01 112.201 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -146.29 -32.4 0.34 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.073 -0.512 . . . . 4.24 111.924 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 4.1 mmp_? -89.68 119.25 69.49 Favored Pre-proline 0 C--N 1.332 -0.17 0 CA-C-O 120.54 0.209 . . . . 4.84 111.085 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -81.2 124.07 4.72 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.59 2.193 . . . . 3.11 112.299 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.412 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 72.4 m -113.02 174.02 6.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 2.85 110.933 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -97.98 127.04 43.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.951 -0.568 . . . . 7.12 110.806 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.99 124.76 35.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 3.46 110.979 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.1 m -102.39 -30.36 11.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 2.81 110.959 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.4 -141.91 3.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 1.18 112.465 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.05 111.22 22.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 3.95 110.908 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.5 t -150.56 92.44 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 2.23 110.149 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.449 ' O ' ' SG ' ' A' ' 26' ' ' CYS . 14.4 p -111.01 102.8 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.49 0.662 . . . . 1.98 111.025 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -122.33 115.54 22.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.655 -0.702 . . . . 2.01 111.069 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.33 -0.843 . . . . 2.84 110.925 179.752 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.7 p90 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.87 0.367 . . . . 2.41 110.937 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.402 ' HB2' ' HB3' ' A' ' 24' ' ' SME . 48.1 p90 -87.94 134.99 33.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.524 . . . . 4.73 111.0 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 p -99.17 127.99 33.22 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.28 -0.418 . . . . 1.7 110.899 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.434 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 91.2 Cg_endo -85.17 -21.11 3.16 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.507 2.138 . . . . 1.78 112.349 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.434 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 13.8 m-85 -144.96 -47.63 0.24 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.181 -0.463 . . . . 2.98 110.653 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.14 -103.48 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.901 -0.666 . . . . 2.86 112.294 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 48.8 t -90.22 14.22 13.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.726 0.298 . . . . 2.76 111.018 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.41 ' HA ' ' N ' ' A' ' 14' ' ' PRO . . . -51.74 -54.57 26.95 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.902 0.382 . . . . 2.93 111.35 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.5 mt -119.26 34.9 5.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.127 -0.488 . . . . 4.15 110.679 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.6 t -100.39 -86.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 2.19 111.44 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -150.65 40.19 0.74 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 111.794 0.294 . . . . 2.9 111.794 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.7 p -176.92 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 2.2 111.664 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.87 -174.61 15.29 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.859 -0.686 . . . . 3.29 111.885 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.41 ' N ' ' HA ' ' A' ' 8' ' ' ALA . 74.5 Cg_endo -74.62 66.09 5.67 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.499 2.133 . . . . 3.01 112.299 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -139.53 -54.99 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 4.24 111.171 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -89.9 128.85 48.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.407 . . . . 4.84 110.94 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -81.5 128.0 5.97 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.467 2.111 . . . . 3.11 112.419 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.7 m -104.32 172.29 6.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 2.85 110.761 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -98.88 128.95 45.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 7.12 111.06 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -98.5 142.47 30.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 3.46 110.773 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 t -115.47 -35.55 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 2.81 111.371 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.64 -136.72 3.61 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.644 -0.789 . . . . 1.18 112.583 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.09 104.5 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 3.95 110.934 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SME . . . . . 0.419 ' N ' ' OE ' ' A' ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.7 m -150.62 61.95 0.94 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.06 -0.518 . . . . 2.23 110.171 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.5 m -91.07 113.96 26.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.634 . . . . 1.98 111.007 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -139.36 122.38 16.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 2.01 110.948 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.3 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.229 -0.891 . . . . 2.84 110.854 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.441 ' CD1' HG13 ' A' ' 10' ' ' VAL . 22.9 p90 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.879 0.371 . . . . 2.41 111.035 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -90.16 152.41 21.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 4.73 111.087 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.9 t -115.73 101.48 54.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 1.7 111.077 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.43 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 94.2 Cg_endo -80.89 -21.4 6.95 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.433 2.089 . . . . 1.78 112.308 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 12.2 m-85 -144.62 -64.16 0.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 2.98 110.691 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.35 -110.81 0.46 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.891 -0.671 . . . . 2.86 112.219 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.2 t -90.09 11.19 21.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.74 0.305 . . . . 2.76 111.029 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.43 119.19 8.64 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.811 0.339 . . . . 2.93 111.085 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.4 tp 55.28 24.33 6.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 4.15 110.862 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.441 HG13 ' CD1' ' A' ' 1' ' ' PHE . 67.0 t -99.93 -74.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.425 . . . . 2.19 111.023 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.8 t70 -150.11 31.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 2.9 111.258 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 7.7 p 177.03 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 2.2 111.102 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.9 176.65 15.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.962 -0.637 . . . . 3.29 111.861 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -72.84 70.43 3.54 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.504 2.136 . . . . 3.01 112.43 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -147.06 -52.72 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 4.24 111.472 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 38.0 ttm180 -90.12 141.69 28.05 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.456 -0.338 . . . . 4.84 111.024 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 16' ' ' ARG . 86.6 Cg_endo -79.18 157.65 26.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.354 2.036 . . . . 3.11 112.232 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.9 m -138.9 171.62 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.428 . . . . 2.85 110.825 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 8.5 mpt_? -89.94 119.87 30.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 7.12 110.87 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -90.09 109.68 20.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 3.46 110.822 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.4 m -90.0 -29.26 18.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 2.81 110.909 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.49 -144.78 4.06 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.82 -0.705 . . . . 1.18 112.456 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -90.04 114.1 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.693 0.282 . . . . 3.95 110.975 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.7 m -150.75 72.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 2.23 109.983 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.2 m -89.75 119.83 30.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.916 -0.584 . . . . 1.98 111.217 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -94.64 102.08 13.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.764 -0.653 . . . . 2.01 110.451 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.249 -0.882 . . . . 2.84 110.974 -179.655 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.1 p90 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.787 0.327 . . . . 2.41 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.428 ' CD2' ' HB2' ' A' ' 24' ' ' SME . 17.5 t80 -59.97 118.39 6.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 4.73 110.89 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.69 120.14 56.64 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 1.7 111.005 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.426 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 73.7 Cg_endo -75.89 -18.71 16.66 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.416 2.078 . . . . 1.78 112.454 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.426 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 30.3 m-85 -138.76 -67.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.355 . . . . 2.98 110.943 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -172.05 -97.03 0.1 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 2.86 112.48 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.2 t -90.11 12.67 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 2.76 110.981 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.94 117.77 5.88 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.865 0.364 . . . . 2.93 111.156 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.1 mt 56.23 23.26 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 4.15 111.107 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.9 t -97.62 -74.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.37 . . . . 2.19 110.933 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.428 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.2 t70 -150.28 31.65 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.838 0.351 . . . . 2.9 111.244 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 8.7 p 178.52 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 2.2 111.255 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.59 179.01 15.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.96 -0.638 . . . . 3.29 112.1 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -76.77 71.53 6.06 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.685 2.257 . . . . 3.01 112.525 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -149.91 -52.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.383 -0.372 . . . . 4.24 111.46 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -93.35 154.17 41.41 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.425 -0.352 . . . . 4.84 111.174 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -87.67 155.02 7.57 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.868 2.379 . . . . 3.11 112.572 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.7 m -119.05 175.06 5.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 2.85 110.805 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -89.8 83.39 6.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.986 -0.552 . . . . 7.12 110.612 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.458 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 4.6 p-10 -105.79 142.45 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 3.46 111.282 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.9 m -89.86 -25.01 21.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 2.81 110.34 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.12 -170.87 12.13 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.819 -0.628 . . . . 1.18 111.814 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -90.29 47.28 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.76 0.314 . . . . 3.95 111.313 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SME . . . . . 0.428 ' HB2' ' CD2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.9 m -150.76 61.65 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.915 0.388 . . . . 2.23 110.437 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.458 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 34.7 m -96.5 112.36 24.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.167 -0.469 . . . . 1.98 111.186 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -133.36 110.35 9.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 2.01 110.995 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.7 m . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.225 -0.893 . . . . 2.84 110.814 179.872 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.444 ' CE2' HG13 ' A' ' 10' ' ' VAL . 43.6 p90 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.906 0.384 . . . . 2.41 110.995 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.455 ' HB3' ' HB3' ' A' ' 24' ' ' SME . 96.5 m-85 -89.95 132.72 35.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 4.73 111.075 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -101.96 129.99 25.31 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 1.7 110.838 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.439 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 89.6 Cg_endo -86.69 -21.84 2.12 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.67 2.247 . . . . 1.78 112.597 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.439 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.2 m-85 -142.36 -48.08 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.397 . . . . 2.98 110.799 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -178.14 -111.78 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.846 -0.692 . . . . 2.86 112.323 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 13' ' ' GLY . 47.6 t -90.35 17.46 7.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 2.76 111.169 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.31 118.05 10.16 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.822 0.344 . . . . 2.93 111.154 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 54.75 25.43 6.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 4.15 111.003 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.444 HG13 ' CE2' ' A' ' 1' ' ' PHE . 54.5 t -100.4 -73.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 2.19 111.071 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 16.0 m-20 -150.0 31.17 0.7 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.497 -0.319 . . . . 2.9 111.367 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 5.7 p 175.58 -36.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 2.2 111.284 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 7' ' ' CYS . . . 116.18 174.76 17.71 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 111.555 -0.618 . . . . 3.29 111.555 -178.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -73.86 65.0 4.98 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.325 2.017 . . . . 3.01 112.221 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -141.85 -49.38 0.39 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.373 -0.376 . . . . 4.24 111.703 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 67.1 mtp180 -89.78 124.09 64.71 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.731 -0.213 . . . . 4.84 111.32 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 14.4 Cg_exo -69.07 134.08 28.5 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.463 2.108 . . . . 3.11 111.996 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.6 m -119.01 174.51 6.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 2.85 110.774 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -89.92 121.76 32.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 7.12 111.277 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -97.41 143.58 28.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 3.46 110.756 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.3 m -100.21 -28.05 13.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 2.81 111.105 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.54 -112.11 0.38 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 1.18 112.522 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.03 98.46 11.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 3.95 110.874 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SME . . . . . 0.455 ' HB3' ' HB3' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -150.45 61.88 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.96 -0.564 . . . . 2.23 110.081 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.6 m -90.01 117.05 28.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.732 -0.667 . . . . 1.98 111.318 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -113.68 129.89 56.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.93 -0.577 . . . . 2.01 110.262 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.303 -0.856 . . . . 2.84 110.896 -179.453 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 32.6 p90 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.981 0.42 . . . . 2.41 110.968 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -90.24 148.56 22.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 4.73 111.156 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.0 m -138.72 125.89 13.17 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 1.7 110.459 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.426 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 83.0 Cg_endo -81.67 -37.47 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.531 2.154 . . . . 1.78 113.0 -179.471 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.426 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.2 m-85 -128.95 -69.84 0.69 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.843 0.354 . . . . 2.98 111.042 -179.676 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -125.27 -148.27 7.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 2.86 112.313 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.6 p -90.36 39.58 0.98 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.719 0.295 . . . . 2.76 111.035 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.45 109.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.391 -0.368 . . . . 2.93 110.973 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.4 tp 60.96 29.72 19.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 4.15 110.433 -179.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.4 t -110.33 -69.66 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 2.19 111.048 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -150.16 27.55 0.76 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.751 0.31 . . . . 2.9 111.532 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 p 168.22 38.57 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.067 -0.515 . . . . 2.2 111.762 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.87 179.89 0.01 OUTLIER Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.226 -0.511 . . . . 3.29 113.34 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -83.25 58.11 6.08 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.737 2.291 . . . . 3.01 112.286 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -131.57 -53.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 4.24 111.228 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -90.04 108.43 26.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 4.84 111.056 -179.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.05 154.77 29.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.616 2.21 . . . . 3.11 112.468 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.5 m -121.76 174.93 6.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 2.85 110.909 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -91.19 127.43 36.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 7.12 110.8 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -89.89 131.07 36.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 3.46 110.918 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.8 m -111.52 -27.54 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 2.81 111.319 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.77 -140.41 4.33 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.585 -0.816 . . . . 1.18 112.545 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -89.94 99.35 12.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 3.95 110.871 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.8 p -150.16 107.45 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 2.23 110.285 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.0 p -105.64 108.13 19.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.154 0.502 . . . . 1.98 111.034 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -131.32 107.19 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 2.01 110.977 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.261 -0.876 . . . . 2.84 110.828 -179.943 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 12.0 p90 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.914 0.388 . . . . 2.41 110.933 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -90.13 142.97 27.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 4.73 110.979 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.0 m -131.36 112.49 15.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 1.7 110.715 179.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.441 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 98.3 Cg_endo -87.11 -24.71 1.24 Allowed 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.725 2.283 . . . . 1.78 113.042 -179.563 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 26.5 m-85 -135.61 29.16 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.795 0.331 . . . . 2.98 111.303 -179.6 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.51 -120.64 5.72 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.643 -0.789 . . . . 2.86 112.723 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.1 t -86.52 35.89 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.301 . . . . 2.76 111.295 -179.454 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.29 96.55 1.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 2.93 110.964 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.9 mt 57.31 30.15 18.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 4.15 110.588 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 36.8 t -103.84 -52.65 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 2.19 111.442 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.506 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 21.3 t70 -149.89 30.99 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.978 -0.289 . . . . 2.9 111.768 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.506 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 17.2 p 173.74 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.243 -0.435 . . . . 2.2 111.389 179.72 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.11 159.56 9.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.871 -0.681 . . . . 3.29 111.746 -179.204 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.78 58.93 1.6 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.37 2.046 . . . . 3.01 112.605 -179.69 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -150.2 22.39 0.85 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.481 . . . . 4.24 111.114 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -143.55 138.64 15.55 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.665 -0.243 . . . . 4.84 111.159 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -81.43 115.15 2.84 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.628 2.219 . . . . 3.11 112.269 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.57 172.47 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 2.85 110.834 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -100.73 108.48 20.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 7.12 111.049 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -94.3 105.71 17.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 3.46 110.765 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.7 m -94.05 -28.98 15.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 2.81 111.263 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.06 -151.61 6.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.628 -0.796 . . . . 1.18 112.658 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.401 ' HB2' ' CE ' ' A' ' 24' ' ' SME . 1.3 p90 -90.04 115.48 27.34 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.828 0.346 . . . . 3.95 110.859 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' SME . . . . . 0.401 ' CE ' ' HB2' ' A' ' 23' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -150.15 88.36 1.52 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.926 -0.579 . . . . 2.23 110.398 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.7 p -89.93 118.43 29.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.082 -0.508 . . . . 1.98 111.138 -179.39 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -117.48 98.94 6.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.951 -0.568 . . . . 2.01 110.744 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.225 -0.893 . . . . 2.84 110.894 -179.952 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.436 ' CE1' HG12 ' A' ' 10' ' ' VAL . 50.9 p90 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.9 0.381 . . . . 2.41 110.893 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -84.79 125.74 32.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 4.73 111.183 -179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.7 p -94.64 120.87 64.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 1.7 110.888 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 97.2 Cg_endo -86.52 -28.85 0.54 Allowed 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.474 2.116 . . . . 1.78 112.363 179.803 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.435 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 2.1 m-85 -150.16 29.12 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 2.98 110.697 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 98.83 -118.25 6.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 2.86 112.179 -179.623 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -90.22 14.39 12.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.664 0.268 . . . . 2.76 111.077 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.81 113.03 1.86 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.826 0.346 . . . . 2.93 111.09 -179.958 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 49.91 27.67 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 4.15 111.084 -179.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.436 HG12 ' CE1' ' A' ' 1' ' ' PHE . 51.7 t -98.76 -68.45 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 2.19 111.244 -179.734 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.521 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.0 t70 -149.78 30.85 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.477 -0.328 . . . . 2.9 111.454 -179.712 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 11.4 p 173.96 -36.0 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.167 -0.47 . . . . 2.2 111.489 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.54 167.32 13.37 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.961 -0.638 . . . . 3.29 111.604 -178.748 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.51 68.66 6.12 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.379 2.052 . . . . 3.01 112.334 -179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -150.15 -34.54 0.17 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.302 -0.408 . . . . 4.24 111.786 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -89.83 127.95 52.1 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.486 0.184 . . . . 4.84 110.729 -179.563 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.05 163.59 9.52 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.238 1.959 . . . . 3.11 111.894 179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.5 m -147.67 174.25 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.354 -0.385 . . . . 2.85 111.119 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -99.93 96.59 7.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 7.12 110.704 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -89.91 89.83 7.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 3.46 110.708 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.9 m -89.93 -27.45 19.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 2.81 111.168 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.28 -165.81 10.39 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.66 -0.781 . . . . 1.18 112.435 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -90.1 116.03 27.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.9 0.381 . . . . 3.95 110.909 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.7 m -150.25 61.62 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 2.23 110.502 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.3 m -93.87 110.88 22.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.013 -0.54 . . . . 1.98 111.209 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -92.71 90.0 6.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 2.01 110.414 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.262 -0.875 . . . . 2.84 110.944 -179.495 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.4 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 37.7 p90 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.849 0.357 . . . . 2.41 110.869 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.418 ' HB2' ' HB3' ' A' ' 24' ' ' SME . 49.5 p90 -89.78 150.68 22.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 4.73 111.221 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.0 t -113.87 109.86 49.66 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.956 -0.565 . . . . 1.7 111.066 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.435 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 86.5 Cg_endo -84.42 -20.62 3.92 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.516 2.144 . . . . 1.78 112.331 179.71 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.435 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.2 m-85 -143.75 -59.27 0.4 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.258 -0.428 . . . . 2.98 110.76 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -164.42 -112.68 0.27 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.948 -0.644 . . . . 2.86 112.326 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.2 t -90.21 18.67 5.74 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.823 0.344 . . . . 2.76 110.887 179.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.96 117.96 10.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.896 0.379 . . . . 2.93 111.19 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.2 tp 55.98 23.43 6.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 4.15 110.857 -179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 49.0 t -98.24 -74.23 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 2.19 110.96 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.452 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 20.2 m-20 -150.25 31.39 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.729 0.3 . . . . 2.9 111.431 179.839 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 6.2 p 177.1 -37.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.107 -0.497 . . . . 2.2 111.262 179.845 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.63 172.66 14.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.895 -0.669 . . . . 3.29 111.883 -179.106 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -71.27 70.35 2.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.516 2.144 . . . . 3.01 112.351 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -147.33 -46.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 4.24 111.595 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 78.3 mtp180 -92.74 128.52 43.63 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.579 -0.282 . . . . 4.84 111.257 -179.472 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 25.2 Cg_exo -63.14 168.88 10.1 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.383 2.055 . . . . 3.11 112.03 179.466 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.507 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 7.9 m -145.46 171.86 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 2.85 110.867 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -89.97 115.57 27.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 7.12 110.732 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -89.78 100.47 13.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 3.46 110.938 -179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -90.06 -29.31 18.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 2.81 111.011 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.37 -144.77 4.0 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.801 -0.714 . . . . 1.18 112.457 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.41 ' HB2' ' CE ' ' A' ' 24' ' ' SME . 1.3 p90 -90.15 116.65 28.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 3.95 110.88 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' SME . . . . . 0.418 ' HB3' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -150.82 72.0 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 2.23 110.312 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 18' ' ' CYS . 56.3 m -89.87 111.54 22.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.033 -0.531 . . . . 1.98 111.225 -179.293 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -105.07 91.57 3.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 2.01 111.099 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.507 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.233 -0.889 . . . . 2.84 110.93 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.506 ' CZ ' HG13 ' A' ' 10' ' ' VAL . 37.7 p90 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.986 0.422 . . . . 1.91 110.973 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -57.23 125.27 22.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.973 -0.558 . . . . 3.88 111.344 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 p -96.54 159.61 31.42 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 1.7 110.723 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.554 ' HG2' ' HB3' ' A' ' 8' ' ' ALA . 52.7 Cg_endo -87.5 -69.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.618 2.212 . . . . 1.45 112.653 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.411 ' CD2' ' HB2' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -150.42 25.74 0.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.49 -0.323 . . . . 2.6 111.183 -179.648 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.463 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 151.95 -136.05 5.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.599 -0.81 . . . . 2.45 112.547 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.1 t -90.21 14.66 12.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.607 0.241 . . . . 2.2 111.175 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.687 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -68.17 119.56 12.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.837 0.351 . . . . 2.55 111.07 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.6 mp 56.82 25.02 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 3.77 110.855 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.506 HG13 ' CZ ' ' A' ' 1' ' ' PHE . 57.5 t -102.26 -74.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 1.65 111.022 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.456 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.5 t70 -150.18 31.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 2.9 111.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 5.4 p 177.3 -39.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.025 -0.534 . . . . 2.2 111.171 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.89 173.45 14.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.925 -0.655 . . . . 2.67 111.851 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.687 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 68.6 Cg_endo -72.42 69.18 3.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.462 2.108 . . . . 2.68 112.261 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -145.1 -52.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 3.74 111.149 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -89.98 142.9 29.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.36 -0.382 . . . . 4.27 110.777 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -80.67 156.12 21.16 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.574 2.183 . . . . 2.62 112.321 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.0 m -135.12 172.65 12.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 2.85 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -89.76 97.82 11.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 6.47 111.158 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -107.43 108.45 19.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 3.46 110.755 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.2 m -106.27 -26.13 11.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 2.48 111.359 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.47 153.44 19.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.635 -0.793 . . . . 1.14 112.614 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.468 0.466 0 CA-C-O 120.784 0.326 . . . . 3.3 110.961 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 121.016 0.436 . . . . 1.72 110.228 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.5 m -89.83 115.24 27.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.914 -0.585 . . . . 1.98 111.223 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -103.77 112.22 25.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.002 -0.544 . . . . 2.01 110.468 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.293 -0.861 . . . . 2.84 110.984 -179.559 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 39.4 p90 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.96 0.41 . . . . 1.91 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -86.2 144.97 27.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.948 -0.569 . . . . 3.88 111.261 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.6 p -101.32 146.8 32.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 1.7 110.883 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.422 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 90.2 Cg_endo -88.25 -17.23 2.46 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.792 2.328 . . . . 1.45 112.793 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.422 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 22.2 m-85 -146.07 -67.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 2.6 110.915 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.546 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -153.2 -118.79 0.73 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.811 -0.709 . . . . 2.45 112.44 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.1 t -78.95 0.41 27.57 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.569 0.224 . . . . 2.2 111.272 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -54.02 120.89 7.0 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.805 0.336 . . . . 2.55 111.284 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt 55.26 23.91 5.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 3.77 111.026 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' ' 6' ' ' GLY . 52.4 t -102.72 -72.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.302 -0.408 . . . . 1.65 111.037 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 39.6 m-20 -150.09 31.62 0.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.567 -0.288 . . . . 2.9 111.526 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 11.9 p 176.04 -38.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.203 -0.453 . . . . 2.2 111.318 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 115.58 174.02 17.71 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.031 -0.604 . . . . 2.67 111.592 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.46 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 61.3 Cg_endo -72.58 65.08 3.81 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.333 2.022 . . . . 2.68 112.124 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -146.14 -50.89 0.23 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.289 -0.414 . . . . 3.74 111.523 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -94.88 150.73 38.25 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.715 0.293 . . . . 4.27 110.784 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.23 149.65 40.92 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.392 2.061 . . . . 2.62 112.4 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -126.4 173.75 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 2.85 110.635 -179.793 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.72 93.95 5.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.258 -0.428 . . . . 6.47 110.751 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 4.6 p30 -118.92 138.59 52.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 3.46 111.144 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.1 m -89.83 -25.83 20.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 2.48 110.716 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.4 -169.93 11.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.958 -0.639 . . . . 1.14 112.072 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 120.845 0.355 . . . . 3.3 111.067 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.832 0.348 . . . . 1.72 110.741 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.406 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 92.8 m -89.87 116.05 27.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.118 0.485 . . . . 1.98 111.221 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -135.02 110.79 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.78 -0.645 . . . . 2.01 110.551 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 54.3 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.194 -0.908 . . . . 2.84 110.799 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.4 ' CZ ' ' OD2' ' A' ' 27' ' ' ASP . 30.6 p90 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.949 0.404 . . . . 1.91 111.043 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -82.42 144.18 30.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.052 -0.522 . . . . 3.88 111.16 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.2 p -106.59 117.39 57.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 1.7 110.944 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 97.4 Cg_endo -86.25 -22.57 2.14 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.409 2.072 . . . . 1.45 112.378 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.442 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.0 m-85 -149.98 22.95 0.86 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.413 -0.358 . . . . 2.6 111.161 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.13 -108.34 3.33 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.663 -0.78 . . . . 2.45 112.706 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' HA ' ' CG2' ' A' ' 10' ' ' VAL . 48.9 t -89.34 11.72 18.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.63 0.253 . . . . 2.2 111.173 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.404 ' HA ' ' N ' ' A' ' 14' ' ' PRO . . . -54.29 -43.05 70.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.835 0.35 . . . . 2.55 111.559 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.99 33.59 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 3.77 110.812 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 7' ' ' CYS . 83.5 t -102.49 -87.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 1.65 111.403 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -150.62 41.06 0.77 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.638 0.256 . . . . 2.9 111.545 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 p -175.79 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.919 0.39 . . . . 2.2 111.626 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.77 -173.84 15.54 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.946 -0.645 . . . . 2.67 111.784 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.404 ' N ' ' HA ' ' A' ' 8' ' ' ALA . 67.0 Cg_endo -72.96 67.16 4.05 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.372 2.048 . . . . 2.68 112.339 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -143.67 -54.01 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 3.74 111.103 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -89.91 134.69 31.43 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.482 -0.327 . . . . 4.27 110.853 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -84.08 123.42 3.12 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.678 2.252 . . . . 2.62 112.423 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 72.0 m -98.59 172.14 7.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 2.85 110.88 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -90.61 120.53 31.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 6.47 110.874 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -101.1 112.93 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 3.46 110.861 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.5 m -91.93 -31.17 15.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 2.48 110.913 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.39 -153.25 6.17 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.83 -0.7 . . . . 1.14 112.32 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 3.3 110.843 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.0 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.943 0.402 . . . . 1.72 110.261 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 57.1 m -91.63 115.42 28.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.035 -0.529 . . . . 1.98 110.961 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.4 ' OD2' ' CZ ' ' A' ' 1' ' ' PHE . 7.4 m-20 -127.83 125.37 39.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.053 -0.521 . . . . 2.01 111.108 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.25 -0.881 . . . . 2.84 110.879 179.796 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.7 p90 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.937 0.398 . . . . 1.91 110.845 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -90.05 146.82 24.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 3.88 110.96 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 6' ' ' GLY . 30.9 p -113.23 111.53 50.06 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.4 -0.364 . . . . 1.7 111.055 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.43 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 91.2 Cg_endo -87.71 -24.4 1.13 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.673 2.248 . . . . 1.45 112.875 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 4.3 m-85 -150.05 49.44 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.772 0.32 . . . . 2.6 110.841 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . 93.17 -152.03 20.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 2.45 111.964 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.4 p -89.54 39.3 0.94 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.899 0.38 . . . . 2.2 111.0 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -65.45 124.15 21.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 2.55 110.517 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 28.1 tp 63.96 16.09 9.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.331 -0.395 . . . . 3.77 110.5 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.3 t -101.12 -80.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.449 -0.341 . . . . 1.65 110.765 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -150.5 30.34 0.68 Allowed 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.848 0.356 . . . . 2.9 111.173 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 p 171.97 30.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.193 -0.458 . . . . 2.2 112.13 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 44.56 -171.05 0.01 OUTLIER Glycine 0 C--N 1.334 0.43 0 C-N-CA 121.099 -0.572 . . . . 2.67 113.33 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.459 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 98.4 Cg_endo -87.17 55.04 2.97 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.693 2.262 . . . . 2.68 112.386 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -150.08 23.61 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 3.74 111.37 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -150.1 124.02 4.52 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.574 -0.284 . . . . 4.27 110.926 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.66 144.91 15.93 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.54 2.16 . . . . 2.62 112.641 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.9 m -125.53 172.8 9.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.519 . . . . 2.85 110.683 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -90.39 103.37 16.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 6.47 110.883 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.89 141.86 28.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 3.46 110.978 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.7 t -105.92 -25.55 12.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 2.48 111.281 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.58 -140.99 3.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.633 -0.794 . . . . 1.14 112.6 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 3.3 110.841 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 CA--C 1.521 -0.136 0 N-CA-C 109.436 -0.579 . . . . 1.72 109.436 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.3 m -89.98 119.6 30.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.527 -0.761 . . . . 1.98 111.412 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -142.05 113.81 7.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.882 -0.599 . . . . 2.01 110.794 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.3 m . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.278 -0.868 . . . . 2.84 110.853 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.484 ' CE2' HG13 ' A' ' 10' ' ' VAL . 27.0 p90 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.966 0.413 . . . . 1.91 110.99 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -89.96 139.25 30.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.533 . . . . 3.88 110.995 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.9 p -106.79 122.81 40.54 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.535 -0.302 . . . . 1.7 111.019 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.447 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 90.6 Cg_endo -83.82 -32.62 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.574 2.182 . . . . 1.45 112.434 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.447 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.3 m-85 -135.73 -65.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 2.6 110.635 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.63 -136.85 3.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.029 -0.605 . . . . 2.45 112.004 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.5 p -90.46 41.63 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.006 0.431 . . . . 2.2 110.805 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.95 -26.22 14.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.975 -0.557 . . . . 2.55 111.584 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 29.1 tp -148.05 41.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 3.77 111.04 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.484 HG13 ' CE2' ' A' ' 1' ' ' PHE . 19.1 t -118.77 -77.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.633 -0.258 . . . . 1.65 111.464 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -150.44 37.0 0.66 Allowed 'General case' 0 C--O 1.231 0.09 0 N-CA-C 112.193 0.442 . . . . 2.9 112.193 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 p 173.62 27.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.432 0.531 . . . . 2.2 112.432 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.31 -164.95 0.01 OUTLIER Glycine 0 CA--C 1.521 0.457 0 C-N-CA 121.135 -0.555 . . . . 2.67 113.351 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -86.21 67.27 5.03 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.726 2.284 . . . . 2.68 112.428 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -146.24 -46.34 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.353 -0.385 . . . . 3.74 111.264 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -96.44 148.68 34.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 4.27 110.89 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.5 168.49 24.21 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.467 2.112 . . . . 2.62 112.192 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -141.61 172.22 12.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 2.85 110.741 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -100.66 121.4 41.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 6.47 110.844 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.98 134.26 34.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 3.46 110.955 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.9 m -113.54 -33.49 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 2.48 110.974 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -157.34 -134.43 1.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.823 -0.703 . . . . 1.14 112.524 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 3.3 110.939 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 121.076 0.465 . . . . 1.72 109.873 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 86.1 m -89.8 117.75 28.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.807 -0.633 . . . . 1.98 111.283 -178.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -122.91 114.14 20.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.56 . . . . 2.01 110.743 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.412 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 50.6 m . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.231 -0.89 . . . . 2.84 110.888 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.446 ' CE1' HG22 ' A' ' 10' ' ' VAL . 23.6 p90 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.972 0.415 . . . . 1.91 110.998 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -89.99 138.09 31.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.016 -0.538 . . . . 3.88 111.151 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.1 p -103.71 126.79 30.98 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 1.7 110.825 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.45 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 83.3 Cg_endo -82.55 -23.81 3.88 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.576 2.184 . . . . 1.45 112.384 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.45 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.0 m-85 -139.64 -56.68 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 2.6 110.555 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.23 -104.3 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.979 -0.629 . . . . 2.45 112.257 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 41.8 t -90.41 39.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 2.2 110.87 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -46.69 -59.61 2.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.448 -0.342 . . . . 2.55 111.543 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.3 mt -138.79 50.82 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 3.77 110.791 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.446 HG22 ' CE1' ' A' ' 1' ' ' PHE . 62.9 t -103.03 -88.16 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 116.237 -0.438 . . . . 1.65 111.503 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -150.56 38.42 0.69 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.75 0.31 . . . . 2.9 110.943 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.7 p -176.8 21.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.326 0.491 . . . . 2.2 112.326 -179.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.16 -175.18 0.02 OUTLIER Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.597 -0.811 . . . . 2.67 112.52 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.6 59.77 6.35 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.416 2.077 . . . . 2.68 112.21 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -135.41 -56.17 0.8 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.438 . . . . 3.74 111.183 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.2 mmm-85 -89.76 134.26 32.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.402 -0.363 . . . . 4.27 110.839 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -81.57 148.1 15.95 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.624 2.216 . . . . 2.62 112.649 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 78.4 m -122.13 168.99 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 2.85 110.82 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 125.11 44.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 6.47 111.0 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -116.49 142.27 47.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 3.46 110.756 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.0 m -113.22 -18.4 12.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.406 -0.361 . . . . 2.48 111.619 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.61 -156.79 8.73 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.459 -0.877 . . . . 1.14 112.699 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 3.3 110.649 179.917 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 m . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 121.154 0.502 . . . . 1.72 109.678 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 67.0 m -89.85 118.02 29.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.584 -0.734 . . . . 1.98 111.149 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -137.6 121.59 17.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 2.01 111.038 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 m . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.219 -0.896 . . . . 2.84 110.787 179.675 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.417 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 19.6 p90 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.954 0.407 . . . . 1.91 110.992 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -90.3 145.83 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 3.88 111.198 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -139.98 129.56 13.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 1.7 110.114 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.63 -46.57 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.506 2.138 . . . . 1.45 113.173 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -127.98 -68.79 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 2.6 110.525 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -108.24 -114.44 3.78 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.771 -0.728 . . . . 2.45 111.832 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.536 ' O ' HG23 ' A' ' 10' ' ' VAL . 94.1 m -89.17 -74.86 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 2.2 110.711 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 7' ' ' CYS . . . 71.98 72.48 0.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.609 . . . . 2.55 110.439 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.7 mt 67.37 31.79 6.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.878 -0.601 . . . . 3.77 110.868 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 7' ' ' CYS . 59.5 t -108.49 -75.87 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.203 -0.453 . . . . 1.65 111.339 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.496 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 20.2 t70 -150.26 33.99 0.65 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.756 0.28 . . . . 2.9 111.756 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 1.9 p 176.08 -28.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.355 -0.384 . . . . 2.2 111.392 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.05 -176.53 47.28 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.698 -0.763 . . . . 2.67 111.627 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.49 63.7 2.22 Favored 'Trans proline' 0 CA--C 1.527 0.174 0 C-N-CA 122.333 2.022 . . . . 2.68 112.07 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -142.34 -63.58 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 3.74 111.412 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -89.76 109.92 35.84 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.465 -0.334 . . . . 4.27 110.98 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.37 142.29 40.69 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.443 2.095 . . . . 2.62 112.426 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 80.2 m -109.15 174.51 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 2.85 110.803 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.454 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 7.8 mpt_? -89.86 124.15 34.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 6.47 110.545 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.76 128.31 36.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 3.46 110.928 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 t -108.85 -27.17 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 2.48 111.212 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.8 -137.86 3.07 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.565 -0.826 . . . . 1.14 112.645 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 3.3 110.941 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.804 0.335 . . . . 1.72 110.482 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 31.2 p -104.23 106.84 17.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 1.98 111.054 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -120.43 98.94 6.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 2.01 111.181 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.27 -0.872 . . . . 2.84 110.847 179.784 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.1 p90 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.929 0.395 . . . . 1.91 110.966 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -90.02 136.39 33.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 3.88 110.986 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 p -103.9 132.81 20.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 1.7 110.986 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.439 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 88.1 Cg_endo -84.95 -20.35 3.58 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.54 2.16 . . . . 1.45 112.475 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.439 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.0 m-85 -144.12 -65.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 2.6 110.813 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -158.91 -104.9 0.21 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.861 -0.685 . . . . 2.45 112.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -90.13 10.79 23.04 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.797 0.332 . . . . 2.2 110.851 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.17 -71.92 0.06 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.789 0.328 . . . . 2.55 111.442 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.7 mp -98.17 33.11 2.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 3.77 110.655 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.421 HG11 ' SG ' ' A' ' 28' ' ' CYS . 59.3 t -101.93 -88.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.343 -0.389 . . . . 1.65 111.525 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 23.5 t70 -150.72 38.68 0.69 Allowed 'General case' 0 CA--C 1.527 0.074 0 N-CA-C 112.126 0.417 . . . . 2.9 112.126 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 6.4 p -177.54 -40.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.813 -0.355 . . . . 2.2 111.889 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.58 179.28 16.24 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.813 -0.708 . . . . 2.67 111.965 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.51 66.0 2.93 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.53 2.153 . . . . 2.68 112.29 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -140.88 -49.39 0.43 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 3.74 111.293 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -94.15 144.19 27.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.452 -0.34 . . . . 4.27 111.077 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -78.17 168.47 21.77 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.644 2.23 . . . . 2.62 112.284 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.557 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 3.4 m -145.24 165.69 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 2.85 110.715 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' N ' ' HD3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -89.9 87.23 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 6.47 110.482 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.501 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 4.7 p-10 -116.92 138.81 51.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 3.46 111.407 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.7 m -89.85 -23.27 21.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.913 -0.585 . . . . 2.48 110.19 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.9 -172.98 13.76 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.772 -0.649 . . . . 1.14 111.737 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.718 0.294 . . . . 3.3 111.039 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.763 0.316 . . . . 1.72 110.764 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.501 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 61.2 m -98.08 109.82 22.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.991 0.424 . . . . 1.98 111.352 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -118.43 100.0 7.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.843 -0.617 . . . . 2.01 110.91 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.557 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.218 -0.896 . . . . 2.84 110.961 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 22.5 p90 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.904 0.383 . . . . 1.91 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -90.19 147.33 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 3.88 111.143 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.408 ' SG ' HG21 ' A' ' 10' ' ' VAL . 3.3 m -141.98 128.55 11.13 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.079 -0.51 . . . . 1.7 110.291 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.41 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 84.7 Cg_endo -81.56 -44.6 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.504 2.136 . . . . 1.45 112.902 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.41 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 3.1 m-85 -125.4 -68.77 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 2.6 110.68 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.41 -110.28 3.15 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.813 -0.708 . . . . 2.45 111.867 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.507 ' O ' HG23 ' A' ' 10' ' ' VAL . 98.8 m -90.12 -77.15 0.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.937 0.398 . . . . 2.2 110.854 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 7' ' ' CYS . . . 73.38 73.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.912 -0.585 . . . . 2.55 110.179 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.585 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.2 mp 65.75 34.18 7.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.833 -0.621 . . . . 3.77 110.602 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 7' ' ' CYS . 52.1 t -110.29 -75.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 1.65 111.546 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 20.2 m-20 -150.17 34.16 0.66 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.862 0.319 . . . . 2.9 111.862 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 2.5 p 176.32 -31.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.437 -0.347 . . . . 2.2 111.382 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.25 -172.85 42.03 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.793 -0.718 . . . . 2.67 111.515 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.04 64.55 6.94 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.278 1.985 . . . . 2.68 112.222 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -144.42 -50.8 0.29 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.351 -0.386 . . . . 3.74 111.608 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 88.5 mtt180 -96.85 137.92 21.35 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.57 0.224 . . . . 4.27 110.912 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.03 162.99 36.16 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.604 2.203 . . . . 2.62 112.44 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.536 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 13.4 m -142.3 161.61 37.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 2.85 110.711 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -89.98 124.01 34.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 6.47 110.907 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -90.0 137.01 32.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 3.46 110.853 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 22' ' ' GLY . 8.1 t -127.67 -42.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 2.48 111.292 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' N ' HG23 ' A' ' 21' ' ' THR . . . -134.75 -178.74 15.87 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.671 -0.776 . . . . 1.14 112.642 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.396 0 CA-C-O 120.738 0.304 . . . . 3.3 111.138 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.798 0.332 . . . . 1.72 110.234 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.408 ' HB2' ' CB ' ' A' ' 18' ' ' CYS . 28.9 p -109.14 104.72 13.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.049 0.452 . . . . 1.98 111.189 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.23 88.14 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.904 -0.589 . . . . 2.01 111.061 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.536 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.2 p . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.276 -0.869 . . . . 2.84 110.978 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 33.0 p90 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.973 0.416 . . . . 1.91 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -59.01 131.69 51.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 3.88 111.153 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.4 m -118.46 161.8 33.58 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.188 -0.46 . . . . 1.7 110.906 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.459 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 32.1 Cg_exo -57.28 -63.24 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.471 2.114 . . . . 1.45 112.722 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -149.68 -52.73 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.115 -0.493 . . . . 2.6 111.043 -179.086 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.87 -154.48 22.56 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.714 -0.755 . . . . 2.45 112.302 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 p -90.42 39.14 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 2.2 111.122 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 120.65 10.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.346 -0.388 . . . . 2.55 111.166 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 24.2 tp 60.35 28.67 18.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 3.77 110.709 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.2 t -109.34 -77.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 1.65 111.077 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -150.45 31.13 0.66 Allowed 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.872 0.368 . . . . 2.9 110.875 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.87 -31.43 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.13 -0.486 . . . . 2.2 111.7 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.89 176.67 43.94 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.557 -0.83 . . . . 2.67 113.026 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.38 64.57 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.671 2.247 . . . . 2.68 112.336 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -150.06 -45.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 3.74 110.933 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -96.31 142.52 24.67 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 4.27 110.84 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.43 139.03 28.14 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.538 2.159 . . . . 2.62 112.505 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -115.79 173.63 6.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 2.85 110.549 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -102.56 84.41 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.391 . . . . 6.47 110.743 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -94.56 136.05 35.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 3.46 110.934 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -89.92 -25.52 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 2.48 110.845 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.35 -159.41 8.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.938 -0.648 . . . . 1.14 112.01 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 3.3 110.979 179.795 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.765 0.317 . . . . 1.72 110.527 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.3 p -112.97 100.3 8.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.942 0.401 . . . . 1.98 110.984 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -130.15 101.16 5.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 2.01 110.823 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.405 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 51.0 m . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.213 -0.898 . . . . 2.84 110.888 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.411 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 16.2 p90 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.924 0.392 . . . . 1.91 111.006 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -90.25 132.83 35.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 3.88 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.2 p -102.86 122.55 45.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.477 -0.329 . . . . 1.7 110.97 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.44 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 89.1 Cg_endo -81.72 -22.59 5.3 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.44 2.093 . . . . 1.45 112.318 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.44 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 15.4 m-85 -141.9 -48.56 0.37 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 2.6 110.726 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -174.06 -107.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.843 -0.694 . . . . 2.45 112.287 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.8 t -90.09 9.38 28.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 2.2 111.021 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -63.85 120.62 12.26 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.82 0.343 . . . . 2.55 111.078 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.8 mt 57.93 25.52 12.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 3.77 111.093 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 6' ' ' GLY . 61.8 t -103.94 -75.81 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.356 -0.384 . . . . 1.65 111.035 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 23.2 t70 -150.23 31.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.93 0.395 . . . . 2.9 111.179 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 4.7 p 178.8 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.929 -0.578 . . . . 2.2 110.961 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.85 178.97 17.36 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.99 -0.624 . . . . 2.67 112.064 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 69.0 Cg_endo -73.51 67.1 4.57 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.564 2.176 . . . . 2.68 112.223 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -142.7 -51.33 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 3.74 111.228 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -89.91 131.72 38.51 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.409 -0.36 . . . . 4.27 111.101 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -83.21 122.03 3.2 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.671 2.247 . . . . 2.62 112.459 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 86.2 m -98.11 173.49 7.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 2.85 110.825 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.408 ' N ' ' HD3' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -99.93 117.45 34.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 6.47 110.944 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.88 137.69 32.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 3.46 110.83 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.0 m -112.19 -32.35 6.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 2.48 111.107 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -140.69 -140.62 3.89 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 1.14 112.501 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 3.3 110.935 -179.944 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.998 0.427 . . . . 1.72 110.184 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 58.8 m -95.37 109.68 21.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.888 -0.596 . . . . 1.98 111.003 -179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -130.21 122.85 28.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 2.01 111.043 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.6 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.237 -0.887 . . . . 2.84 110.839 179.729 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 16.6 p90 . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.886 0.374 . . . . 1.91 111.081 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -90.3 132.01 35.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 3.88 110.995 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 p -105.95 125.68 32.55 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.355 . . . . 1.7 111.135 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.429 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 85.6 Cg_endo -83.01 -24.06 3.4 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.488 2.125 . . . . 1.45 111.995 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.429 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 4.0 m-85 -149.84 -54.0 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 2.6 110.433 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.89 -136.07 2.89 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.064 -0.588 . . . . 2.45 112.074 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 11' ' ' ASP . 26.4 p -90.2 20.94 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 2.2 111.368 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 14' ' ' PRO . . . -48.14 -56.89 6.75 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.128 0.418 . . . . 2.55 112.128 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.553 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.9 mp -90.92 20.24 4.99 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.931 0.345 . . . . 3.77 111.931 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 t -126.95 -71.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.832 0.348 . . . . 1.65 111.229 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 7' ' ' CYS . 32.2 m-20 -150.41 -167.7 2.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 2.9 110.093 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 37.08 31.23 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.458 0.54 . . . . 2.2 112.458 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' ASP . . . 47.26 -174.76 0.01 OUTLIER Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.824 -0.703 . . . . 2.67 112.823 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.442 ' HB3' ' HB1' ' A' ' 8' ' ' ALA . 68.1 Cg_endo -89.21 66.61 2.51 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.876 2.384 . . . . 2.68 112.443 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -150.0 -42.08 0.13 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.525 -0.307 . . . . 3.74 111.77 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -89.69 131.92 38.35 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.643 0.258 . . . . 4.27 111.253 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -85.72 159.37 10.57 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.722 2.282 . . . . 2.62 112.48 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.424 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 95.4 m -132.11 176.7 8.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.012 -0.54 . . . . 2.85 110.89 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' N ' ' NE ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -89.97 122.07 32.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.859 -0.61 . . . . 6.47 110.947 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -95.0 144.8 25.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 3.46 110.786 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.6 m -116.93 -38.45 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 2.48 111.157 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.91 -139.65 4.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 1.14 112.529 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 3.3 110.861 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 121.083 0.468 . . . . 1.72 109.829 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.424 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 80.3 m -90.05 118.11 29.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.815 -0.629 . . . . 1.98 111.44 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -143.72 126.66 16.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.846 -0.615 . . . . 2.01 110.69 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.195 -0.907 . . . . 2.84 110.877 -179.738 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.3 p90 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.842 0.353 . . . . 1.91 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -89.16 130.57 35.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 3.88 111.061 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.6 p -104.84 117.44 58.8 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 1.7 110.878 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 74.5 Cg_endo -77.69 -28.24 5.45 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.41 2.074 . . . . 1.45 112.43 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.442 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 15.8 m-85 -133.5 -62.84 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 2.6 110.595 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.14 -143.1 3.6 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.844 -0.616 . . . . 2.45 112.01 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 28.9 p -90.56 41.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 2.2 110.817 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.75 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.98 -0.554 . . . . 2.55 111.332 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.4 mm? -96.51 29.55 2.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.241 -0.436 . . . . 3.77 110.854 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.406 ' HB ' ' HB2' ' A' ' 7' ' ' CYS . 58.1 t -104.53 -85.88 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.251 -0.431 . . . . 1.65 111.485 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 12.3 t70 -150.78 36.19 0.62 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 113.055 0.761 . . . . 2.9 113.055 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 13' ' ' GLY . 1.7 p 171.28 28.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.158 0.799 . . . . 2.2 113.158 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 47.94 176.83 0.01 OUTLIER Glycine 0 CA--C 1.522 0.512 0 C-N-CA 120.853 -0.689 . . . . 2.67 113.526 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -80.9 66.44 8.83 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.564 2.176 . . . . 2.68 112.421 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -150.05 -37.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 3.74 111.627 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.449 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 8.7 mpt_? -89.77 139.42 27.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.652 0.263 . . . . 4.27 110.982 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -78.68 156.04 27.67 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.523 2.149 . . . . 2.62 112.382 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.494 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 12.0 m -146.44 170.55 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 2.85 110.653 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.425 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 11.1 mpt_? -89.86 136.78 32.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 6.47 111.053 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -115.93 146.06 42.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 3.46 111.004 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.8 m -109.06 -27.83 9.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 2.48 111.034 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.09 -131.59 1.24 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.698 -0.763 . . . . 1.14 112.508 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 120.787 0.327 . . . . 3.3 110.859 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 N--CA 1.456 -0.153 0 N-CA-C 109.813 -0.44 . . . . 1.72 109.813 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.4 m -89.71 116.22 27.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.808 -0.633 . . . . 1.98 111.359 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -138.62 111.6 7.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.957 -0.565 . . . . 2.01 110.707 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.494 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.244 -0.884 . . . . 2.84 110.896 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.412 ' CD2' HG22 ' A' ' 10' ' ' VAL . 30.4 p90 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.857 0.36 . . . . 1.91 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -90.03 137.38 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 3.88 111.156 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 6' ' ' GLY . 31.0 p -104.27 111.23 65.12 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.314 -0.403 . . . . 1.7 110.932 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HB2' ' CE1' ' A' ' 5' ' ' PHE . 11.5 Cg_exo -69.61 -38.47 8.08 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.425 2.083 . . . . 1.45 112.001 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 4' ' ' PRO . 0.7 OUTLIER -123.94 -60.58 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 2.6 110.427 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . -151.68 -143.49 3.72 Favored Glycine 0 N--CA 1.451 -0.367 0 CA-C-N 115.875 -0.602 . . . . 2.45 111.947 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.3 p -90.47 41.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.033 0.444 . . . . 2.2 110.644 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' HA2' ' A' ' 13' ' ' GLY . . . -49.31 -75.9 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.885 -0.598 . . . . 2.55 112.031 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -94.04 36.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.428 -0.351 . . . . 3.77 111.215 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.412 HG22 ' CD2' ' A' ' 1' ' ' PHE . 60.7 t -106.75 -86.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.524 -0.307 . . . . 1.65 111.377 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -150.86 37.89 0.65 Allowed 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.04 -0.264 . . . . 2.9 111.613 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.41 -44.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.4 0.519 . . . . 2.2 112.4 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 8' ' ' ALA . . . 116.57 175.57 17.72 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.415 -0.898 . . . . 2.67 112.865 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.36 55.38 4.64 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.554 2.17 . . . . 2.68 112.568 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -150.27 -31.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 3.74 111.605 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -89.75 132.15 37.52 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.762 -0.199 . . . . 4.27 110.961 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -82.88 134.08 7.05 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.643 2.229 . . . . 2.62 112.495 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 76.5 m -121.81 176.06 5.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 2.85 110.887 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -89.91 122.67 33.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 6.47 110.847 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -93.21 125.42 37.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 3.46 110.954 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.9 m -89.94 -29.68 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 2.48 111.026 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.25 -125.71 0.79 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 1.14 112.398 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 3.3 110.796 179.938 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.05 0.452 . . . . 1.72 109.902 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 56.0 m -98.35 109.18 21.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.825 -0.625 . . . . 1.98 111.197 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -144.17 119.86 10.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 2.01 110.956 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.6 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.262 -0.875 . . . . 2.84 110.878 179.815 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.439 ' CE2' HG11 ' A' ' 10' ' ' VAL . 46.5 p90 . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.92 0.391 . . . . 1.91 110.949 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -90.14 152.77 20.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 3.88 110.975 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.447 ' SG ' HG21 ' A' ' 10' ' ' VAL . 7.5 m -141.38 144.74 35.16 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.238 -0.437 . . . . 1.7 110.707 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.453 ' HB2' ' CE2' ' A' ' 5' ' ' PHE . 73.1 Cg_endo -77.93 -47.11 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.576 2.184 . . . . 1.45 112.511 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -150.21 -48.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.05 -0.523 . . . . 2.6 110.424 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -108.82 -127.94 5.63 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.896 -0.668 . . . . 2.45 111.664 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.538 ' O ' HG23 ' A' ' 10' ' ' VAL . 91.5 m -90.11 -78.1 0.38 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.914 0.388 . . . . 2.2 110.804 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 7' ' ' CYS . . . 68.92 75.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.051 -0.522 . . . . 2.55 110.498 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 22.8 tp 69.77 30.1 3.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.014 -0.539 . . . . 3.77 110.679 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 7' ' ' CYS . 54.9 t -109.87 -79.55 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.44 . . . . 1.65 111.472 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 19.9 t70 -150.25 33.57 0.65 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.713 0.264 . . . . 2.9 111.713 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 2.0 p 176.31 -25.3 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.411 -0.358 . . . . 2.2 111.649 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.78 -176.34 54.09 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.637 -0.792 . . . . 2.67 111.412 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.82 61.26 1.76 Allowed 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.242 1.962 . . . . 2.68 112.024 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -135.96 -65.69 0.58 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.124 -0.489 . . . . 3.74 111.022 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 7.6 mpt_? -89.99 106.97 16.27 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.413 -0.358 . . . . 4.27 110.733 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.15 139.9 36.43 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.515 2.143 . . . . 2.62 112.519 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.5 m -112.37 168.66 9.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 2.85 110.476 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' A' ' 19' ' ' ARG . 16.6 tpt180 -95.52 127.0 41.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.425 -0.352 . . . . 6.47 110.614 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -89.93 137.46 32.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 3.46 111.118 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.0 m -109.06 -25.94 10.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 2.48 111.006 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.21 -139.73 3.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 1.14 112.518 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 3.3 110.933 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 m . . . . . 0 CA--C 1.523 -0.082 0 CA-C-O 120.842 0.353 . . . . 1.72 110.252 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.3 p -93.25 117.69 30.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 1.98 111.263 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -139.9 107.3 5.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.929 -0.578 . . . . 2.01 110.979 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.2 m . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.186 -0.912 . . . . 2.84 110.815 179.872 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.462 ' CD1' HG13 ' A' ' 10' ' ' VAL . 48.2 p90 . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.86 0.362 . . . . 1.91 110.857 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -90.07 146.24 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 3.88 111.063 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.485 ' SG ' HG21 ' A' ' 10' ' ' VAL . 77.8 m -120.93 120.89 29.12 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 1.7 111.029 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 94.4 Cg_endo -85.84 -47.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.637 2.225 . . . . 1.45 112.483 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.438 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.1 m-85 -117.04 -23.58 7.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 2.6 110.889 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.96 -128.35 2.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.792 -0.718 . . . . 2.45 112.438 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 13' ' ' GLY . 50.7 t -89.86 20.78 3.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.82 0.343 . . . . 2.2 110.901 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.476 ' HA ' ' N ' ' A' ' 14' ' ' PRO . . . -50.46 -82.63 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.801 0.334 . . . . 2.55 111.444 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.6 tp -95.74 43.51 1.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.013 0.435 . . . . 3.77 109.998 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.485 HG21 ' SG ' ' A' ' 3' ' ' CYS . 49.2 t -109.57 -84.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.056 -0.52 . . . . 1.65 111.927 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.483 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.0 t70 -150.7 36.91 0.64 Allowed 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 112.465 0.543 . . . . 2.9 112.465 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 8.5 p 178.69 -40.75 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.265 0.468 . . . . 2.2 112.265 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 7' ' ' CYS . . . 126.21 175.9 14.32 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 111.41 -0.676 . . . . 2.67 111.41 -178.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.476 ' N ' ' HA ' ' A' ' 8' ' ' ALA . 88.4 Cg_endo -80.24 67.46 8.61 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.243 1.962 . . . . 2.68 112.201 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -146.29 -32.4 0.34 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.073 -0.512 . . . . 3.74 111.924 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.436 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 4.1 mmp_? -89.68 119.25 69.49 Favored Pre-proline 0 C--N 1.332 -0.17 0 CA-C-O 120.54 0.209 . . . . 4.27 111.085 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -81.2 124.07 4.72 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.59 2.193 . . . . 2.62 112.299 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 72.4 m -113.02 174.02 6.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 2.85 110.933 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -97.98 127.04 43.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.951 -0.568 . . . . 6.47 110.806 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.99 124.76 35.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 3.46 110.979 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.1 m -102.39 -30.36 11.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 2.48 110.959 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.4 -141.91 3.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 1.14 112.465 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 3.3 110.908 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 110.149 -0.315 . . . . 1.72 110.149 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.479 ' SG ' HG21 ' A' ' 10' ' ' VAL . 14.4 p -111.01 102.8 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.49 0.662 . . . . 1.98 111.025 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -122.33 115.54 22.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.655 -0.702 . . . . 2.01 111.069 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.33 -0.843 . . . . 2.84 110.925 179.752 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.7 p90 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.87 0.367 . . . . 1.91 110.937 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -87.94 134.99 33.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.524 . . . . 3.88 111.0 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 p -99.17 127.99 33.22 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.28 -0.418 . . . . 1.7 110.899 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.437 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 91.2 Cg_endo -85.17 -21.11 3.16 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.507 2.138 . . . . 1.45 112.349 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.437 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 13.8 m-85 -144.96 -47.63 0.24 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.181 -0.463 . . . . 2.6 110.653 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.14 -103.48 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.901 -0.666 . . . . 2.45 112.294 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.402 ' HA ' ' CG2' ' A' ' 10' ' ' VAL . 48.8 t -90.22 14.22 13.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.726 0.298 . . . . 2.2 111.018 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.421 ' HA ' ' N ' ' A' ' 14' ' ' PRO . . . -51.74 -54.57 26.95 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.902 0.382 . . . . 2.55 111.35 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.5 mt -119.26 34.9 5.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.127 -0.488 . . . . 3.77 110.679 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.402 ' CG2' ' HA ' ' A' ' 7' ' ' CYS . 91.6 t -100.39 -86.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 1.65 111.44 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -150.65 40.19 0.74 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 111.794 0.294 . . . . 2.9 111.794 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.7 p -176.92 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 2.2 111.664 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.87 -174.61 15.29 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.859 -0.686 . . . . 2.67 111.885 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.421 ' N ' ' HA ' ' A' ' 8' ' ' ALA . 74.5 Cg_endo -74.62 66.09 5.67 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.499 2.133 . . . . 2.68 112.299 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -139.53 -54.99 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 3.74 111.171 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -89.9 128.85 48.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.407 . . . . 4.27 110.94 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -81.5 128.0 5.97 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.467 2.111 . . . . 2.62 112.419 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.7 m -104.32 172.29 6.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 2.85 110.761 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -98.88 128.95 45.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 6.47 111.06 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -98.5 142.47 30.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 3.46 110.773 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 t -115.47 -35.55 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 2.48 111.371 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.64 -136.72 3.61 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.644 -0.789 . . . . 1.14 112.583 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 3.3 110.934 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.041 0.448 . . . . 1.72 110.171 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.5 m -91.07 113.96 26.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.634 . . . . 1.98 111.007 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -139.36 122.38 16.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 2.01 110.948 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.3 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.229 -0.891 . . . . 2.84 110.854 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.453 ' CD1' HG13 ' A' ' 10' ' ' VAL . 22.9 p90 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.879 0.371 . . . . 1.91 111.035 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -90.16 152.41 21.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 3.88 111.087 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.9 t -115.73 101.48 54.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 1.7 111.077 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.432 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 94.2 Cg_endo -80.89 -21.4 6.95 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.433 2.089 . . . . 1.45 112.308 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.432 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 12.2 m-85 -144.62 -64.16 0.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 2.6 110.691 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.472 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -152.35 -110.81 0.46 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.891 -0.671 . . . . 2.45 112.219 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.2 t -90.09 11.19 21.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.74 0.305 . . . . 2.2 111.029 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -62.43 119.19 8.64 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.811 0.339 . . . . 2.55 111.085 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 23.4 tp 55.28 24.33 6.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 3.77 110.862 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.472 HG21 ' O ' ' A' ' 6' ' ' GLY . 67.0 t -99.93 -74.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.425 . . . . 1.65 111.023 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.8 t70 -150.11 31.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 2.9 111.258 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 7.7 p 177.03 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 2.2 111.102 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.9 176.65 15.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.962 -0.637 . . . . 2.67 111.861 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.464 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 73.1 Cg_endo -72.84 70.43 3.54 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.504 2.136 . . . . 2.68 112.43 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -147.06 -52.72 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 3.74 111.472 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.432 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 38.0 ttm180 -90.12 141.69 28.05 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.456 -0.338 . . . . 4.27 111.024 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 16' ' ' ARG . 86.6 Cg_endo -79.18 157.65 26.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.354 2.036 . . . . 2.62 112.232 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.9 m -138.9 171.62 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.428 . . . . 2.85 110.825 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.458 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 8.5 mpt_? -89.94 119.87 30.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 6.47 110.87 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -90.09 109.68 20.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 3.46 110.822 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.4 m -90.0 -29.26 18.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 2.48 110.909 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.49 -144.78 4.06 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.82 -0.705 . . . . 1.14 112.456 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.693 0.282 . . . . 3.3 110.975 179.883 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.967 0.413 . . . . 1.72 109.983 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.2 m -89.75 119.83 30.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.916 -0.584 . . . . 1.98 111.217 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -94.64 102.08 13.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.764 -0.653 . . . . 2.01 110.451 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.249 -0.882 . . . . 2.84 110.974 -179.655 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.1 p90 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.787 0.327 . . . . 1.91 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -59.97 118.39 6.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 3.88 110.89 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.69 120.14 56.64 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 1.7 111.005 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.43 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 73.7 Cg_endo -75.89 -18.71 16.66 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.416 2.078 . . . . 1.45 112.454 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 30.3 m-85 -138.76 -67.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.355 . . . . 2.6 110.943 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -172.05 -97.03 0.1 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 2.45 112.48 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.2 t -90.11 12.67 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 2.2 110.981 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -60.94 117.77 5.88 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.865 0.364 . . . . 2.55 111.156 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.1 mt 56.23 23.26 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 3.77 111.107 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.9 t -97.62 -74.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.37 . . . . 1.65 110.933 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.2 t70 -150.28 31.65 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.838 0.351 . . . . 2.9 111.244 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 8.7 p 178.52 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 2.2 111.255 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.59 179.01 15.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.96 -0.638 . . . . 2.67 112.1 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 98.1 Cg_endo -76.77 71.53 6.06 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.685 2.257 . . . . 2.68 112.525 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -149.91 -52.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.383 -0.372 . . . . 3.74 111.46 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -93.35 154.17 41.41 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.425 -0.352 . . . . 4.27 111.174 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -87.67 155.02 7.57 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.868 2.379 . . . . 2.62 112.572 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.7 m -119.05 175.06 5.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 2.85 110.805 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -89.8 83.39 6.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.986 -0.552 . . . . 6.47 110.612 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.476 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 4.6 p-10 -105.79 142.45 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 3.46 111.282 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.9 m -89.86 -25.01 21.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 2.48 110.34 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.12 -170.87 12.13 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.819 -0.628 . . . . 1.14 111.814 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.76 0.314 . . . . 3.3 111.313 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.915 0.388 . . . . 1.72 110.437 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.476 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 34.7 m -96.5 112.36 24.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.167 -0.469 . . . . 1.98 111.186 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -133.36 110.35 9.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 2.01 110.995 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.7 m . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.225 -0.893 . . . . 2.84 110.814 179.872 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.501 ' CE2' HG13 ' A' ' 10' ' ' VAL . 43.6 p90 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.906 0.384 . . . . 1.91 110.995 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -89.95 132.72 35.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 3.88 111.075 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -101.96 129.99 25.31 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 1.7 110.838 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.44 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 89.6 Cg_endo -86.69 -21.84 2.12 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.67 2.247 . . . . 1.45 112.597 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.44 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.2 m-85 -142.36 -48.08 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.397 . . . . 2.6 110.799 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.428 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -178.14 -111.78 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.846 -0.692 . . . . 2.45 112.323 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.6 t -90.35 17.46 7.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 2.2 111.169 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -67.31 118.05 10.16 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.822 0.344 . . . . 2.55 111.154 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.4 mm? 54.75 25.43 6.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 3.77 111.003 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.501 HG13 ' CE2' ' A' ' 1' ' ' PHE . 54.5 t -100.4 -73.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 1.65 111.071 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 16.0 m-20 -150.0 31.17 0.7 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.497 -0.319 . . . . 2.9 111.367 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 5.7 p 175.58 -36.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 2.2 111.284 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.18 174.76 17.71 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 111.555 -0.618 . . . . 2.67 111.555 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 71.4 Cg_endo -73.86 65.0 4.98 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.325 2.017 . . . . 2.68 112.221 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -141.85 -49.38 0.39 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.373 -0.376 . . . . 3.74 111.703 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 67.1 mtp180 -89.78 124.09 64.71 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.731 -0.213 . . . . 4.27 111.32 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 14.4 Cg_exo -69.07 134.08 28.5 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.463 2.108 . . . . 2.62 111.996 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.6 m -119.01 174.51 6.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 2.85 110.774 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -89.92 121.76 32.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 6.47 111.277 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -97.41 143.58 28.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 3.46 110.756 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.3 m -100.21 -28.05 13.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 2.48 111.105 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.54 -112.11 0.38 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 1.14 112.522 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 3.3 110.874 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 121.108 0.48 . . . . 1.72 110.081 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.6 m -90.01 117.05 28.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.732 -0.667 . . . . 1.98 111.318 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -113.68 129.89 56.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.93 -0.577 . . . . 2.01 110.262 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.303 -0.856 . . . . 2.84 110.896 -179.453 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 32.6 p90 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.981 0.42 . . . . 1.91 110.968 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -90.24 148.56 22.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 3.88 111.156 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.0 m -138.72 125.89 13.17 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 1.7 110.459 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.434 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 83.0 Cg_endo -81.67 -37.47 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.531 2.154 . . . . 1.45 113.0 -179.471 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.434 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.2 m-85 -128.95 -69.84 0.69 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.843 0.354 . . . . 2.6 111.042 -179.676 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -125.27 -148.27 7.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 2.45 112.313 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.6 p -90.36 39.58 0.98 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.719 0.295 . . . . 2.2 111.035 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.45 109.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.391 -0.368 . . . . 2.55 110.973 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 25.4 tp 60.96 29.72 19.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 3.77 110.433 -179.627 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.4 t -110.33 -69.66 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 1.65 111.048 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -150.16 27.55 0.76 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.751 0.31 . . . . 2.9 111.532 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HB3' ' NH2' ' A' ' 16' ' ' ARG . 1.6 p 168.22 38.57 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.067 -0.515 . . . . 2.2 111.762 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.87 179.89 0.01 OUTLIER Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.226 -0.511 . . . . 2.67 113.34 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -83.25 58.11 6.08 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.737 2.291 . . . . 2.68 112.286 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -131.57 -53.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 3.74 111.228 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' NH2' ' HB3' ' A' ' 12' ' ' CYS . 86.9 mtm180 -90.04 108.43 26.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 4.27 111.056 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.05 154.77 29.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.616 2.21 . . . . 2.62 112.468 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 78.5 m -121.76 174.93 6.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 2.85 110.909 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -91.19 127.43 36.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 6.47 110.8 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -89.89 131.07 36.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 3.46 110.918 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.8 m -111.52 -27.54 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 2.48 111.319 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.77 -140.41 4.33 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.585 -0.816 . . . . 1.14 112.545 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 3.3 110.871 -179.976 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.758 0.313 . . . . 1.72 110.285 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 29.0 p -105.64 108.13 19.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.154 0.502 . . . . 1.98 111.034 -179.444 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -131.32 107.19 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 2.01 110.977 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.261 -0.876 . . . . 2.84 110.828 -179.943 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 12.0 p90 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.914 0.388 . . . . 1.91 110.933 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -90.13 142.97 27.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 3.88 110.979 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.0 m -131.36 112.49 15.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 1.7 110.715 179.837 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.446 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 98.3 Cg_endo -87.11 -24.71 1.24 Allowed 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.725 2.283 . . . . 1.45 113.042 -179.563 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.446 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 26.5 m-85 -135.61 29.16 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.795 0.331 . . . . 2.6 111.303 -179.6 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.51 -120.64 5.72 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.643 -0.789 . . . . 2.45 112.723 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.1 t -86.52 35.89 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.301 . . . . 2.2 111.295 -179.454 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.29 96.55 1.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 2.55 110.964 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.9 mt 57.31 30.15 18.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 3.77 110.588 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 36.8 t -103.84 -52.65 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 1.65 111.442 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 21.3 t70 -149.89 30.99 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.978 -0.289 . . . . 2.9 111.768 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 17.2 p 173.74 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.243 -0.435 . . . . 2.2 111.389 179.72 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.11 159.56 9.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.871 -0.681 . . . . 2.67 111.746 -179.204 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.78 58.93 1.6 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.37 2.046 . . . . 2.68 112.605 -179.69 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -150.2 22.39 0.85 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.481 . . . . 3.74 111.114 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -143.55 138.64 15.55 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.665 -0.243 . . . . 4.27 111.159 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -81.43 115.15 2.84 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.628 2.219 . . . . 2.62 112.269 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.57 172.47 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 2.85 110.834 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -100.73 108.48 20.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 6.47 111.049 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -94.3 105.71 17.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 3.46 110.765 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.7 m -94.05 -28.98 15.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 2.48 111.263 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.06 -151.61 6.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.628 -0.796 . . . . 1.14 112.658 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 120.828 0.346 . . . . 3.3 110.859 -179.97 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.887 0.375 . . . . 1.72 110.398 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.7 p -89.93 118.43 29.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.082 -0.508 . . . . 1.98 111.138 -179.39 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -117.48 98.94 6.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.951 -0.568 . . . . 2.01 110.744 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.225 -0.893 . . . . 2.84 110.894 -179.952 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.452 ' CE1' HG11 ' A' ' 10' ' ' VAL . 50.9 p90 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.9 0.381 . . . . 1.91 110.893 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -84.79 125.74 32.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 3.88 111.183 -179.764 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.7 p -94.64 120.87 64.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 1.7 110.888 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.443 ' HB2' ' CE2' ' A' ' 5' ' ' PHE . 97.2 Cg_endo -86.52 -28.85 0.54 Allowed 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.474 2.116 . . . . 1.45 112.363 179.803 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 4' ' ' PRO . 2.1 m-85 -150.16 29.12 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 2.6 110.697 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.507 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 98.83 -118.25 6.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 2.45 112.179 -179.623 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -90.22 14.39 12.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.664 0.268 . . . . 2.2 111.077 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -58.81 113.03 1.86 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.826 0.346 . . . . 2.55 111.09 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.3 mm? 49.91 27.67 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 3.77 111.084 -179.62 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 8' ' ' ALA . 51.7 t -98.76 -68.45 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 1.65 111.244 -179.734 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.535 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.0 t70 -149.78 30.85 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.477 -0.328 . . . . 2.9 111.454 -179.712 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.535 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 11.4 p 173.96 -36.0 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.167 -0.47 . . . . 2.2 111.489 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.54 167.32 13.37 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.961 -0.638 . . . . 2.67 111.604 -178.748 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.473 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 74.2 Cg_endo -75.51 68.66 6.12 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.379 2.052 . . . . 2.68 112.334 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -150.15 -34.54 0.17 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.302 -0.408 . . . . 3.74 111.786 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.0 mmp_? -89.83 127.95 52.1 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.486 0.184 . . . . 4.27 110.729 -179.563 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 32.1 Cg_exo -58.05 163.59 9.52 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.238 1.959 . . . . 2.62 111.894 179.735 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.5 m -147.67 174.25 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.354 -0.385 . . . . 2.85 111.119 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -99.93 96.59 7.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 6.47 110.704 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -89.91 89.83 7.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 3.46 110.708 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.9 m -89.93 -27.45 19.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 2.48 111.168 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.28 -165.81 10.39 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.66 -0.781 . . . . 1.14 112.435 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.9 0.381 . . . . 3.3 110.909 179.949 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.7 m . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.984 0.421 . . . . 1.72 110.502 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.3 m -93.87 110.88 22.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.013 -0.54 . . . . 1.98 111.209 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -92.71 90.0 6.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 2.01 110.414 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.262 -0.875 . . . . 2.84 110.944 -179.495 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.4 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 37.7 p90 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.849 0.357 . . . . 1.91 110.869 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -89.78 150.68 22.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 3.88 111.221 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.0 t -113.87 109.86 49.66 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.956 -0.565 . . . . 1.7 111.066 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 86.5 Cg_endo -84.42 -20.62 3.92 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.516 2.144 . . . . 1.45 112.331 179.71 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.438 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.2 m-85 -143.75 -59.27 0.4 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.258 -0.428 . . . . 2.6 110.76 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.409 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -164.42 -112.68 0.27 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.948 -0.644 . . . . 2.45 112.326 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.2 t -90.21 18.67 5.74 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.823 0.344 . . . . 2.2 110.887 179.716 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -67.96 117.96 10.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.896 0.379 . . . . 2.55 111.19 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 23.2 tp 55.98 23.43 6.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 3.77 110.857 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 6' ' ' GLY . 49.0 t -98.24 -74.23 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 1.65 110.96 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 20.2 m-20 -150.25 31.39 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.729 0.3 . . . . 2.9 111.431 179.839 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 6.2 p 177.1 -37.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.107 -0.497 . . . . 2.2 111.262 179.845 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.63 172.66 14.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.895 -0.669 . . . . 2.67 111.883 -179.106 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.538 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 62.5 Cg_endo -71.27 70.35 2.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.516 2.144 . . . . 2.68 112.351 -179.892 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -147.33 -46.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 3.74 111.595 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 78.3 mtp180 -92.74 128.52 43.63 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.579 -0.282 . . . . 4.27 111.257 -179.472 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 25.2 Cg_exo -63.14 168.88 10.1 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.383 2.055 . . . . 2.62 112.03 179.466 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.518 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 7.9 m -145.46 171.86 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 2.85 110.867 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -89.97 115.57 27.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 6.47 110.732 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -89.78 100.47 13.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 3.46 110.938 -179.879 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -90.06 -29.31 18.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 2.48 111.011 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.37 -144.77 4.0 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.801 -0.714 . . . . 1.14 112.457 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 3.3 110.88 -179.946 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.917 0.389 . . . . 1.72 110.312 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.415 ' HB3' ' CB ' ' A' ' 18' ' ' CYS . 56.3 m -89.87 111.54 22.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.033 -0.531 . . . . 1.98 111.225 -179.293 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -105.07 91.57 3.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 2.01 111.099 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.233 -0.889 . . . . 2.84 110.93 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.506 ' CZ ' HG13 ' A' ' 10' ' ' VAL . 37.7 p90 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.986 0.422 . . . . 1.91 110.973 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.416 ' HB2' ' HB2' ' A' ' 24' ' ' SME . 42.7 p90 -57.23 125.27 22.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.973 -0.558 . . . . 3.88 111.344 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 p -96.54 159.61 31.42 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 1.7 110.723 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.554 ' HG2' ' HB3' ' A' ' 8' ' ' ALA . 52.7 Cg_endo -87.5 -69.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.618 2.212 . . . . 1.45 112.653 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.411 ' CD2' ' HB2' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -150.42 25.74 0.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.49 -0.323 . . . . 2.6 111.183 -179.648 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.463 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 151.95 -136.05 5.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.599 -0.81 . . . . 2.45 112.547 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.1 t -90.21 14.66 12.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.607 0.241 . . . . 2.2 111.175 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.687 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -68.17 119.56 12.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.837 0.351 . . . . 2.55 111.07 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.6 mp 56.82 25.02 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 3.77 110.855 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.506 HG13 ' CZ ' ' A' ' 1' ' ' PHE . 57.5 t -102.26 -74.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 1.65 111.022 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.456 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.5 t70 -150.18 31.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 2.9 111.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 5.4 p 177.3 -39.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.025 -0.534 . . . . 2.2 111.171 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.89 173.45 14.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.925 -0.655 . . . . 2.67 111.851 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.687 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 68.6 Cg_endo -72.42 69.18 3.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.462 2.108 . . . . 2.68 112.261 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -145.1 -52.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 3.74 111.149 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -89.98 142.9 29.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.36 -0.382 . . . . 4.27 110.777 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -80.67 156.12 21.16 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.574 2.183 . . . . 2.62 112.321 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.0 m -135.12 172.65 12.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 2.85 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -89.76 97.82 11.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 6.47 111.158 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -107.43 108.45 19.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 3.46 110.755 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.2 m -106.27 -26.13 11.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 2.48 111.359 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.47 153.44 19.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.635 -0.793 . . . . 1.14 112.614 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.8 116.28 1.57 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.784 0.326 . . . . 3.3 110.961 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SME . . . . . 0.416 ' HB2' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.3 m -150.47 61.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.023 -0.535 . . . . 1.72 110.228 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.5 m -89.83 115.24 27.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.914 -0.585 . . . . 1.98 111.223 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -103.77 112.22 25.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.002 -0.544 . . . . 2.01 110.468 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.293 -0.861 . . . . 2.84 110.984 -179.559 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 39.4 p90 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.96 0.41 . . . . 1.91 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.453 ' HB2' ' HB3' ' A' ' 24' ' ' SME . 45.1 p90 -86.2 144.97 27.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.948 -0.569 . . . . 3.88 111.261 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.6 p -101.32 146.8 32.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 1.7 110.883 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.422 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 90.2 Cg_endo -88.25 -17.23 2.46 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.792 2.328 . . . . 1.45 112.793 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.422 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 22.2 m-85 -146.07 -67.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 2.6 110.915 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.546 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -153.2 -118.79 0.73 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.811 -0.709 . . . . 2.45 112.44 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.1 t -78.95 0.41 27.57 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.569 0.224 . . . . 2.2 111.272 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -54.02 120.89 7.0 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.805 0.336 . . . . 2.55 111.284 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt 55.26 23.91 5.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 3.77 111.026 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' ' 6' ' ' GLY . 52.4 t -102.72 -72.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.302 -0.408 . . . . 1.65 111.037 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 39.6 m-20 -150.09 31.62 0.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.567 -0.288 . . . . 2.9 111.526 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 11.9 p 176.04 -38.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.203 -0.453 . . . . 2.2 111.318 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 115.58 174.02 17.71 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.031 -0.604 . . . . 2.67 111.592 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.46 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 61.3 Cg_endo -72.58 65.08 3.81 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.333 2.022 . . . . 2.68 112.124 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -146.14 -50.89 0.23 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.289 -0.414 . . . . 3.74 111.523 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -94.88 150.73 38.25 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.715 0.293 . . . . 4.27 110.784 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.23 149.65 40.92 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.392 2.061 . . . . 2.62 112.4 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -126.4 173.75 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 2.85 110.635 -179.793 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.72 93.95 5.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.258 -0.428 . . . . 6.47 110.751 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 4.6 p30 -118.92 138.59 52.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 3.46 111.144 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.1 m -89.83 -25.83 20.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 2.48 110.716 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.4 -169.93 11.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.958 -0.639 . . . . 1.14 112.072 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -90.35 45.34 1.26 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.845 0.355 . . . . 3.3 111.067 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SME . . . . . 0.453 ' HB3' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.0 m -150.83 63.43 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.348 . . . . 1.72 110.741 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.406 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 92.8 m -89.87 116.05 27.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.118 0.485 . . . . 1.98 111.221 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -135.02 110.79 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.78 -0.645 . . . . 2.01 110.551 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 54.3 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.194 -0.908 . . . . 2.84 110.799 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.4 ' CZ ' ' OD2' ' A' ' 27' ' ' ASP . 30.6 p90 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.949 0.404 . . . . 1.91 111.043 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.419 ' HB2' ' HB2' ' A' ' 24' ' ' SME . 36.1 p90 -82.42 144.18 30.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.052 -0.522 . . . . 3.88 111.16 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.2 p -106.59 117.39 57.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 1.7 110.944 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 97.4 Cg_endo -86.25 -22.57 2.14 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.409 2.072 . . . . 1.45 112.378 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.442 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.0 m-85 -149.98 22.95 0.86 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.413 -0.358 . . . . 2.6 111.161 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.13 -108.34 3.33 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.663 -0.78 . . . . 2.45 112.706 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' HA ' ' CG2' ' A' ' 10' ' ' VAL . 48.9 t -89.34 11.72 18.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.63 0.253 . . . . 2.2 111.173 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.404 ' HA ' ' N ' ' A' ' 14' ' ' PRO . . . -54.29 -43.05 70.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.835 0.35 . . . . 2.55 111.559 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.99 33.59 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 3.77 110.812 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 7' ' ' CYS . 83.5 t -102.49 -87.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 1.65 111.403 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -150.62 41.06 0.77 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.638 0.256 . . . . 2.9 111.545 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 p -175.79 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.919 0.39 . . . . 2.2 111.626 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.77 -173.84 15.54 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.946 -0.645 . . . . 2.67 111.784 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.404 ' N ' ' HA ' ' A' ' 8' ' ' ALA . 67.0 Cg_endo -72.96 67.16 4.05 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.372 2.048 . . . . 2.68 112.339 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -143.67 -54.01 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 3.74 111.103 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -89.91 134.69 31.43 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.482 -0.327 . . . . 4.27 110.853 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -84.08 123.42 3.12 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.678 2.252 . . . . 2.62 112.423 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 72.0 m -98.59 172.14 7.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 2.85 110.88 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -90.61 120.53 31.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 6.47 110.874 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -101.1 112.93 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 3.46 110.861 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.5 m -91.93 -31.17 15.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 2.48 110.913 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.39 -153.25 6.17 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.83 -0.7 . . . . 1.14 112.32 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -90.1 117.37 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 3.3 110.843 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SME . . . . . 0.419 ' HB2' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.0 p -150.88 61.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.97 -0.559 . . . . 1.72 110.261 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 57.1 m -91.63 115.42 28.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.035 -0.529 . . . . 1.98 110.961 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' OD2' ' CZ ' ' A' ' 1' ' ' PHE . 7.4 m-20 -127.83 125.37 39.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.053 -0.521 . . . . 2.01 111.108 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.25 -0.881 . . . . 2.84 110.879 179.796 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.7 p90 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.937 0.398 . . . . 1.91 110.845 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.449 ' HB3' ' HB2' ' A' ' 24' ' ' SME . 41.5 m-85 -90.05 146.82 24.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 3.88 110.96 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 6' ' ' GLY . 30.9 p -113.23 111.53 50.06 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.4 -0.364 . . . . 1.7 111.055 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.43 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 91.2 Cg_endo -87.71 -24.4 1.13 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.673 2.248 . . . . 1.45 112.875 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 4.3 m-85 -150.05 49.44 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.772 0.32 . . . . 2.6 110.841 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . 93.17 -152.03 20.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 2.45 111.964 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.4 p -89.54 39.3 0.94 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.899 0.38 . . . . 2.2 111.0 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -65.45 124.15 21.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 2.55 110.517 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 28.1 tp 63.96 16.09 9.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.331 -0.395 . . . . 3.77 110.5 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.3 t -101.12 -80.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.449 -0.341 . . . . 1.65 110.765 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -150.5 30.34 0.68 Allowed 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.848 0.356 . . . . 2.9 111.173 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 p 171.97 30.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.193 -0.458 . . . . 2.2 112.13 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 44.56 -171.05 0.01 OUTLIER Glycine 0 C--N 1.334 0.43 0 C-N-CA 121.099 -0.572 . . . . 2.67 113.33 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.459 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 98.4 Cg_endo -87.17 55.04 2.97 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.693 2.262 . . . . 2.68 112.386 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -150.08 23.61 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 3.74 111.37 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -150.1 124.02 4.52 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.574 -0.284 . . . . 4.27 110.926 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.66 144.91 15.93 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.54 2.16 . . . . 2.62 112.641 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.9 m -125.53 172.8 9.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.519 . . . . 2.85 110.683 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -90.39 103.37 16.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 6.47 110.883 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.89 141.86 28.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 3.46 110.978 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.7 t -105.92 -25.55 12.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 2.48 111.281 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.58 -140.99 3.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.633 -0.794 . . . . 1.14 112.6 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -90.03 111.18 22.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 3.3 110.841 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SME . . . . . 0.449 ' HB2' ' HB3' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.6 p -150.33 63.52 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.686 -0.688 . . . . 1.72 109.436 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.3 m -89.98 119.6 30.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.527 -0.761 . . . . 1.98 111.412 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -142.05 113.81 7.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.882 -0.599 . . . . 2.01 110.794 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.3 m . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.278 -0.868 . . . . 2.84 110.853 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.484 ' CE2' HG13 ' A' ' 10' ' ' VAL . 27.0 p90 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.966 0.413 . . . . 1.91 110.99 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.472 ' HB3' ' HB2' ' A' ' 24' ' ' SME . 81.8 m-85 -89.96 139.25 30.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.533 . . . . 3.88 110.995 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.9 p -106.79 122.81 40.54 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.535 -0.302 . . . . 1.7 111.019 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.447 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 90.6 Cg_endo -83.82 -32.62 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.574 2.182 . . . . 1.45 112.434 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.447 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.3 m-85 -135.73 -65.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 2.6 110.635 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.63 -136.85 3.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.029 -0.605 . . . . 2.45 112.004 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.5 p -90.46 41.63 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.006 0.431 . . . . 2.2 110.805 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.95 -26.22 14.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.975 -0.557 . . . . 2.55 111.584 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 29.1 tp -148.05 41.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 3.77 111.04 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.484 HG13 ' CE2' ' A' ' 1' ' ' PHE . 19.1 t -118.77 -77.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.633 -0.258 . . . . 1.65 111.464 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -150.44 37.0 0.66 Allowed 'General case' 0 C--O 1.231 0.09 0 N-CA-C 112.193 0.442 . . . . 2.9 112.193 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 p 173.62 27.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.432 0.531 . . . . 2.2 112.432 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.31 -164.95 0.01 OUTLIER Glycine 0 CA--C 1.521 0.457 0 C-N-CA 121.135 -0.555 . . . . 2.67 113.351 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -86.21 67.27 5.03 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.726 2.284 . . . . 2.68 112.428 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -146.24 -46.34 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.353 -0.385 . . . . 3.74 111.264 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -96.44 148.68 34.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 4.27 110.89 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.5 168.49 24.21 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.467 2.112 . . . . 2.62 112.192 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -141.61 172.22 12.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 2.85 110.741 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -100.66 121.4 41.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 6.47 110.844 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.98 134.26 34.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 3.46 110.955 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.9 m -113.54 -33.49 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 2.48 110.974 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -157.34 -134.43 1.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.823 -0.703 . . . . 1.14 112.524 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.02 104.1 16.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 3.3 110.939 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SME . . . . . 0.472 ' HB2' ' HB3' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.3 p -150.73 64.67 0.93 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.828 -0.624 . . . . 1.72 109.873 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 86.1 m -89.8 117.75 28.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.807 -0.633 . . . . 1.98 111.283 -178.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -122.91 114.14 20.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.56 . . . . 2.01 110.743 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.412 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 50.6 m . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.231 -0.89 . . . . 2.84 110.888 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.446 ' CE1' HG22 ' A' ' 10' ' ' VAL . 23.6 p90 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.972 0.415 . . . . 1.91 110.998 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.466 ' HB2' ' HB2' ' A' ' 24' ' ' SME . 51.8 p90 -89.99 138.09 31.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.016 -0.538 . . . . 3.88 111.151 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.1 p -103.71 126.79 30.98 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 1.7 110.825 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.45 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 83.3 Cg_endo -82.55 -23.81 3.88 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.576 2.184 . . . . 1.45 112.384 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.45 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.0 m-85 -139.64 -56.68 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 2.6 110.555 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.23 -104.3 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.979 -0.629 . . . . 2.45 112.257 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 41.8 t -90.41 39.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 2.2 110.87 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -46.69 -59.61 2.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.448 -0.342 . . . . 2.55 111.543 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.3 mt -138.79 50.82 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 3.77 110.791 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.446 HG22 ' CE1' ' A' ' 1' ' ' PHE . 62.9 t -103.03 -88.16 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 116.237 -0.438 . . . . 1.65 111.503 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -150.56 38.42 0.69 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.75 0.31 . . . . 2.9 110.943 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.7 p -176.8 21.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.326 0.491 . . . . 2.2 112.326 -179.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.16 -175.18 0.02 OUTLIER Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.597 -0.811 . . . . 2.67 112.52 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.6 59.77 6.35 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.416 2.077 . . . . 2.68 112.21 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -135.41 -56.17 0.8 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.438 . . . . 3.74 111.183 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.2 mmm-85 -89.76 134.26 32.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.402 -0.363 . . . . 4.27 110.839 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -81.57 148.1 15.95 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.624 2.216 . . . . 2.62 112.649 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 78.4 m -122.13 168.99 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 2.85 110.82 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 125.11 44.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 6.47 111.0 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -116.49 142.27 47.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 3.46 110.756 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.0 m -113.22 -18.4 12.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.406 -0.361 . . . . 2.48 111.619 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.61 -156.79 8.73 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.459 -0.877 . . . . 1.14 112.699 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -84.15 105.59 15.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 3.3 110.649 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SME . . . . . 0.466 ' HB2' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 m -150.31 62.59 0.96 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.807 -0.633 . . . . 1.72 109.678 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 67.0 m -89.85 118.02 29.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.584 -0.734 . . . . 1.98 111.149 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -137.6 121.59 17.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 2.01 111.038 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 m . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.219 -0.896 . . . . 2.84 110.787 179.675 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.417 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 19.6 p90 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.954 0.407 . . . . 1.91 110.992 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -90.3 145.83 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 3.88 111.198 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -139.98 129.56 13.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 1.7 110.114 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.63 -46.57 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.506 2.138 . . . . 1.45 113.173 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -127.98 -68.79 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 2.6 110.525 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -108.24 -114.44 3.78 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.771 -0.728 . . . . 2.45 111.832 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.536 ' O ' HG23 ' A' ' 10' ' ' VAL . 94.1 m -89.17 -74.86 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 2.2 110.711 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 7' ' ' CYS . . . 71.98 72.48 0.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.609 . . . . 2.55 110.439 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.7 mt 67.37 31.79 6.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.878 -0.601 . . . . 3.77 110.868 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 7' ' ' CYS . 59.5 t -108.49 -75.87 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.203 -0.453 . . . . 1.65 111.339 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.496 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 20.2 t70 -150.26 33.99 0.65 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.756 0.28 . . . . 2.9 111.756 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 1.9 p 176.08 -28.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.355 -0.384 . . . . 2.2 111.392 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.05 -176.53 47.28 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.698 -0.763 . . . . 2.67 111.627 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.49 63.7 2.22 Favored 'Trans proline' 0 CA--C 1.527 0.174 0 C-N-CA 122.333 2.022 . . . . 2.68 112.07 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -142.34 -63.58 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 3.74 111.412 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -89.76 109.92 35.84 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.465 -0.334 . . . . 4.27 110.98 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.37 142.29 40.69 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.443 2.095 . . . . 2.62 112.426 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 80.2 m -109.15 174.51 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 2.85 110.803 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.454 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 7.8 mpt_? -89.86 124.15 34.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 6.47 110.545 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.76 128.31 36.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 3.46 110.928 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 t -108.85 -27.17 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 2.48 111.212 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.8 -137.86 3.07 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.565 -0.826 . . . . 1.14 112.645 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -90.06 107.08 18.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 3.3 110.941 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 t -149.88 103.33 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 1.72 110.482 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 31.2 p -104.23 106.84 17.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 1.98 111.054 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -120.43 98.94 6.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 2.01 111.181 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.27 -0.872 . . . . 2.84 110.847 179.784 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.1 p90 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.929 0.395 . . . . 1.91 110.966 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -90.02 136.39 33.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 3.88 110.986 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 p -103.9 132.81 20.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 1.7 110.986 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.439 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 88.1 Cg_endo -84.95 -20.35 3.58 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.54 2.16 . . . . 1.45 112.475 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.439 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.0 m-85 -144.12 -65.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 2.6 110.813 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -158.91 -104.9 0.21 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.861 -0.685 . . . . 2.45 112.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -90.13 10.79 23.04 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.797 0.332 . . . . 2.2 110.851 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.17 -71.92 0.06 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.789 0.328 . . . . 2.55 111.442 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.7 mp -98.17 33.11 2.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 3.77 110.655 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.421 HG11 ' SG ' ' A' ' 28' ' ' CYS . 59.3 t -101.93 -88.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.343 -0.389 . . . . 1.65 111.525 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 23.5 t70 -150.72 38.68 0.69 Allowed 'General case' 0 CA--C 1.527 0.074 0 N-CA-C 112.126 0.417 . . . . 2.9 112.126 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 6.4 p -177.54 -40.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.813 -0.355 . . . . 2.2 111.889 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.58 179.28 16.24 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.813 -0.708 . . . . 2.67 111.965 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.51 66.0 2.93 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.53 2.153 . . . . 2.68 112.29 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -140.88 -49.39 0.43 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 3.74 111.293 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -94.15 144.19 27.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.452 -0.34 . . . . 4.27 111.077 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -78.17 168.47 21.77 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.644 2.23 . . . . 2.62 112.284 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.557 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 3.4 m -145.24 165.69 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 2.85 110.715 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' N ' ' HD3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -89.9 87.23 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 6.47 110.482 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.501 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 4.7 p-10 -116.92 138.81 51.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 3.46 111.407 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.7 m -89.85 -23.27 21.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.913 -0.585 . . . . 2.48 110.19 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.9 -172.98 13.76 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.772 -0.649 . . . . 1.14 111.737 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.23 50.28 1.83 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.718 0.294 . . . . 3.3 111.039 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.3 m -151.26 66.76 0.9 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.763 0.316 . . . . 1.72 110.764 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.501 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 61.2 m -98.08 109.82 22.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.991 0.424 . . . . 1.98 111.352 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -118.43 100.0 7.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.843 -0.617 . . . . 2.01 110.91 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.557 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.218 -0.896 . . . . 2.84 110.961 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 22.5 p90 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.904 0.383 . . . . 1.91 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -90.19 147.33 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 3.88 111.143 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.408 ' SG ' HG21 ' A' ' 10' ' ' VAL . 3.3 m -141.98 128.55 11.13 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.079 -0.51 . . . . 1.7 110.291 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.41 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 84.7 Cg_endo -81.56 -44.6 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.504 2.136 . . . . 1.45 112.902 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.41 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 3.1 m-85 -125.4 -68.77 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 2.6 110.68 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.41 -110.28 3.15 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.813 -0.708 . . . . 2.45 111.867 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.507 ' O ' HG23 ' A' ' 10' ' ' VAL . 98.8 m -90.12 -77.15 0.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.937 0.398 . . . . 2.2 110.854 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 7' ' ' CYS . . . 73.38 73.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.912 -0.585 . . . . 2.55 110.179 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.585 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.2 mp 65.75 34.18 7.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.833 -0.621 . . . . 3.77 110.602 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 7' ' ' CYS . 52.1 t -110.29 -75.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 1.65 111.546 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 20.2 m-20 -150.17 34.16 0.66 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.862 0.319 . . . . 2.9 111.862 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 2.5 p 176.32 -31.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.437 -0.347 . . . . 2.2 111.382 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.25 -172.85 42.03 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.793 -0.718 . . . . 2.67 111.515 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.04 64.55 6.94 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.278 1.985 . . . . 2.68 112.222 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -144.42 -50.8 0.29 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.351 -0.386 . . . . 3.74 111.608 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 88.5 mtt180 -96.85 137.92 21.35 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.57 0.224 . . . . 4.27 110.912 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.03 162.99 36.16 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.604 2.203 . . . . 2.62 112.44 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.536 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 13.4 m -142.3 161.61 37.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 2.85 110.711 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -89.98 124.01 34.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 6.47 110.907 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -90.0 137.01 32.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 3.46 110.853 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 22' ' ' GLY . 8.1 t -127.67 -42.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 2.48 111.292 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' N ' HG23 ' A' ' 21' ' ' THR . . . -134.75 -178.74 15.87 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.671 -0.776 . . . . 1.14 112.642 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.98 103.33 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.738 0.304 . . . . 3.3 111.138 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SME . . . . . 0.402 ' OE ' ' N ' ' A' ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.4 m -150.31 110.17 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 1.72 110.234 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.408 ' HB2' ' CB ' ' A' ' 18' ' ' CYS . 28.9 p -109.14 104.72 13.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.049 0.452 . . . . 1.98 111.189 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.23 88.14 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.904 -0.589 . . . . 2.01 111.061 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.536 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.2 p . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.276 -0.869 . . . . 2.84 110.978 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 33.0 p90 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.973 0.416 . . . . 1.91 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.4 ' HB2' ' HB3' ' A' ' 24' ' ' SME . 51.1 p90 -59.01 131.69 51.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 3.88 111.153 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.4 m -118.46 161.8 33.58 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.188 -0.46 . . . . 1.7 110.906 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.459 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 32.1 Cg_exo -57.28 -63.24 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.471 2.114 . . . . 1.45 112.722 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -149.68 -52.73 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.115 -0.493 . . . . 2.6 111.043 -179.086 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.87 -154.48 22.56 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.714 -0.755 . . . . 2.45 112.302 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 p -90.42 39.14 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 2.2 111.122 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 120.65 10.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.346 -0.388 . . . . 2.55 111.166 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 24.2 tp 60.35 28.67 18.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 3.77 110.709 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.2 t -109.34 -77.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 1.65 111.077 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -150.45 31.13 0.66 Allowed 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.872 0.368 . . . . 2.9 110.875 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.87 -31.43 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.13 -0.486 . . . . 2.2 111.7 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.89 176.67 43.94 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.557 -0.83 . . . . 2.67 113.026 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.38 64.57 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.671 2.247 . . . . 2.68 112.336 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -150.06 -45.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 3.74 110.933 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -96.31 142.52 24.67 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 4.27 110.84 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.43 139.03 28.14 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.538 2.159 . . . . 2.62 112.505 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -115.79 173.63 6.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 2.85 110.549 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -102.56 84.41 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.391 . . . . 6.47 110.743 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -94.56 136.05 35.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 3.46 110.934 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -89.92 -25.52 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 2.48 110.845 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.35 -159.41 8.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.938 -0.648 . . . . 1.14 112.01 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -90.4 44.8 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 3.3 110.979 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SME . . . . . 0.4 ' HB3' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 t -150.38 105.79 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.424 -0.353 . . . . 1.72 110.527 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.3 p -112.97 100.3 8.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.942 0.401 . . . . 1.98 110.984 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -130.15 101.16 5.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 2.01 110.823 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 51.0 m . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.213 -0.898 . . . . 2.84 110.888 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.411 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 16.2 p90 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.924 0.392 . . . . 1.91 111.006 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -90.25 132.83 35.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 3.88 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.2 p -102.86 122.55 45.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.477 -0.329 . . . . 1.7 110.97 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.44 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 89.1 Cg_endo -81.72 -22.59 5.3 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.44 2.093 . . . . 1.45 112.318 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 15.4 m-85 -141.9 -48.56 0.37 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 2.6 110.726 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -174.06 -107.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.843 -0.694 . . . . 2.45 112.287 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.8 t -90.09 9.38 28.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 2.2 111.021 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -63.85 120.62 12.26 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.82 0.343 . . . . 2.55 111.078 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.8 mt 57.93 25.52 12.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 3.77 111.093 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 6' ' ' GLY . 61.8 t -103.94 -75.81 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.356 -0.384 . . . . 1.65 111.035 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 23.2 t70 -150.23 31.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.93 0.395 . . . . 2.9 111.179 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 4.7 p 178.8 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.929 -0.578 . . . . 2.2 110.961 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.85 178.97 17.36 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.99 -0.624 . . . . 2.67 112.064 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 69.0 Cg_endo -73.51 67.1 4.57 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.564 2.176 . . . . 2.68 112.223 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -142.7 -51.33 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 3.74 111.228 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -89.91 131.72 38.51 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.409 -0.36 . . . . 4.27 111.101 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -83.21 122.03 3.2 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.671 2.247 . . . . 2.62 112.459 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 86.2 m -98.11 173.49 7.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 2.85 110.825 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.408 ' N ' ' HD3' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -99.93 117.45 34.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 6.47 110.944 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.88 137.69 32.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 3.46 110.83 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.0 m -112.19 -32.35 6.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 2.48 111.107 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -140.69 -140.62 3.89 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 1.14 112.501 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -90.01 108.61 19.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 3.3 110.935 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t -150.34 64.05 0.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.062 -0.517 . . . . 1.72 110.184 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 58.8 m -95.37 109.68 21.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.888 -0.596 . . . . 1.98 111.003 -179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -130.21 122.85 28.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 2.01 111.043 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.6 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.237 -0.887 . . . . 2.84 110.839 179.729 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.414 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 16.6 p90 . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.886 0.374 . . . . 1.91 111.081 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -90.3 132.01 35.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 3.88 110.995 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 p -105.95 125.68 32.55 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.355 . . . . 1.7 111.135 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.429 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 85.6 Cg_endo -83.01 -24.06 3.4 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.488 2.125 . . . . 1.45 111.995 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.429 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 4.0 m-85 -149.84 -54.0 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 2.6 110.433 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.89 -136.07 2.89 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.064 -0.588 . . . . 2.45 112.074 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 11' ' ' ASP . 26.4 p -90.2 20.94 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 2.2 111.368 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 14' ' ' PRO . . . -48.14 -56.89 6.75 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.128 0.418 . . . . 2.55 112.128 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.553 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.9 mp -90.92 20.24 4.99 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.931 0.345 . . . . 3.77 111.931 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 t -126.95 -71.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.832 0.348 . . . . 1.65 111.229 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 7' ' ' CYS . 32.2 m-20 -150.41 -167.7 2.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 2.9 110.093 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 37.08 31.23 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.458 0.54 . . . . 2.2 112.458 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' ASP . . . 47.26 -174.76 0.01 OUTLIER Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.824 -0.703 . . . . 2.67 112.823 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.442 ' HB3' ' HB1' ' A' ' 8' ' ' ALA . 68.1 Cg_endo -89.21 66.61 2.51 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.876 2.384 . . . . 2.68 112.443 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -150.0 -42.08 0.13 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.525 -0.307 . . . . 3.74 111.77 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -89.69 131.92 38.35 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.643 0.258 . . . . 4.27 111.253 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -85.72 159.37 10.57 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.722 2.282 . . . . 2.62 112.48 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.424 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 95.4 m -132.11 176.7 8.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.012 -0.54 . . . . 2.85 110.89 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' N ' ' NE ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -89.97 122.07 32.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.859 -0.61 . . . . 6.47 110.947 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -95.0 144.8 25.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 3.46 110.786 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.6 m -116.93 -38.45 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 2.48 111.157 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.91 -139.65 4.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 1.14 112.529 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -90.08 105.55 17.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 3.3 110.861 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t -150.75 65.6 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.936 -0.575 . . . . 1.72 109.829 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.424 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 80.3 m -90.05 118.11 29.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.815 -0.629 . . . . 1.98 111.44 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -143.72 126.66 16.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.846 -0.615 . . . . 2.01 110.69 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.195 -0.907 . . . . 2.84 110.877 -179.738 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.3 p90 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.842 0.353 . . . . 1.91 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.432 ' HB2' ' HB2' ' A' ' 24' ' ' SME . 48.9 p90 -89.16 130.57 35.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 3.88 111.061 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.6 p -104.84 117.44 58.8 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 1.7 110.878 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 74.5 Cg_endo -77.69 -28.24 5.45 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.41 2.074 . . . . 1.45 112.43 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.442 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 15.8 m-85 -133.5 -62.84 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 2.6 110.595 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.14 -143.1 3.6 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.844 -0.616 . . . . 2.45 112.01 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 28.9 p -90.56 41.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 2.2 110.817 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.75 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.98 -0.554 . . . . 2.55 111.332 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.4 mm? -96.51 29.55 2.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.241 -0.436 . . . . 3.77 110.854 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.406 ' HB ' ' HB2' ' A' ' 7' ' ' CYS . 58.1 t -104.53 -85.88 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.251 -0.431 . . . . 1.65 111.485 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 12.3 t70 -150.78 36.19 0.62 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 113.055 0.761 . . . . 2.9 113.055 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 13' ' ' GLY . 1.7 p 171.28 28.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.158 0.799 . . . . 2.2 113.158 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 47.94 176.83 0.01 OUTLIER Glycine 0 CA--C 1.522 0.512 0 C-N-CA 120.853 -0.689 . . . . 2.67 113.526 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -80.9 66.44 8.83 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.564 2.176 . . . . 2.68 112.421 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -150.05 -37.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 3.74 111.627 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.449 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 8.7 mpt_? -89.77 139.42 27.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.652 0.263 . . . . 4.27 110.982 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -78.68 156.04 27.67 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.523 2.149 . . . . 2.62 112.382 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.494 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 12.0 m -146.44 170.55 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 2.85 110.653 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.425 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 11.1 mpt_? -89.86 136.78 32.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 6.47 111.053 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -115.93 146.06 42.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 3.46 111.004 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.8 m -109.06 -27.83 9.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 2.48 111.034 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.09 -131.59 1.24 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.698 -0.763 . . . . 1.14 112.508 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.05 113.51 25.22 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.787 0.327 . . . . 3.3 110.859 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SME . . . . . 0.432 ' HB2' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.5 p -150.84 65.54 0.92 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.766 -0.652 . . . . 1.72 109.813 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.4 m -89.71 116.22 27.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.808 -0.633 . . . . 1.98 111.359 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -138.62 111.6 7.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.957 -0.565 . . . . 2.01 110.707 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.494 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.244 -0.884 . . . . 2.84 110.896 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.412 ' CD2' HG22 ' A' ' 10' ' ' VAL . 30.4 p90 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.857 0.36 . . . . 1.91 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.411 ' HB2' ' HB2' ' A' ' 24' ' ' SME . 52.4 p90 -90.03 137.38 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 3.88 111.156 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 6' ' ' GLY . 31.0 p -104.27 111.23 65.12 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.314 -0.403 . . . . 1.7 110.932 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HB2' ' CE1' ' A' ' 5' ' ' PHE . 11.5 Cg_exo -69.61 -38.47 8.08 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.425 2.083 . . . . 1.45 112.001 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 4' ' ' PRO . 0.7 OUTLIER -123.94 -60.58 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 2.6 110.427 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . -151.68 -143.49 3.72 Favored Glycine 0 N--CA 1.451 -0.367 0 CA-C-N 115.875 -0.602 . . . . 2.45 111.947 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.3 p -90.47 41.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.033 0.444 . . . . 2.2 110.644 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' HA2' ' A' ' 13' ' ' GLY . . . -49.31 -75.9 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.885 -0.598 . . . . 2.55 112.031 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -94.04 36.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.428 -0.351 . . . . 3.77 111.215 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.412 HG22 ' CD2' ' A' ' 1' ' ' PHE . 60.7 t -106.75 -86.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.524 -0.307 . . . . 1.65 111.377 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -150.86 37.89 0.65 Allowed 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.04 -0.264 . . . . 2.9 111.613 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.41 -44.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.4 0.519 . . . . 2.2 112.4 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 8' ' ' ALA . . . 116.57 175.57 17.72 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.415 -0.898 . . . . 2.67 112.865 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.36 55.38 4.64 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.554 2.17 . . . . 2.68 112.568 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -150.27 -31.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 3.74 111.605 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -89.75 132.15 37.52 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.762 -0.199 . . . . 4.27 110.961 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -82.88 134.08 7.05 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.643 2.229 . . . . 2.62 112.495 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 76.5 m -121.81 176.06 5.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 2.85 110.887 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -89.91 122.67 33.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 6.47 110.847 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -93.21 125.42 37.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 3.46 110.954 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.9 m -89.94 -29.68 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 2.48 111.026 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.25 -125.71 0.79 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 1.14 112.398 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -90.04 107.69 19.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 3.3 110.796 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SME . . . . . 0.411 ' HB2' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.4 m -150.51 67.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.87 -0.604 . . . . 1.72 109.902 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 56.0 m -98.35 109.18 21.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.825 -0.625 . . . . 1.98 111.197 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -144.17 119.86 10.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 2.01 110.956 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.6 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.262 -0.875 . . . . 2.84 110.878 179.815 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.439 ' CE2' HG11 ' A' ' 10' ' ' VAL . 46.5 p90 . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.92 0.391 . . . . 1.91 110.949 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -90.14 152.77 20.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 3.88 110.975 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.447 ' SG ' HG21 ' A' ' 10' ' ' VAL . 7.5 m -141.38 144.74 35.16 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.238 -0.437 . . . . 1.7 110.707 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.453 ' HB2' ' CE2' ' A' ' 5' ' ' PHE . 73.1 Cg_endo -77.93 -47.11 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.576 2.184 . . . . 1.45 112.511 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -150.21 -48.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.05 -0.523 . . . . 2.6 110.424 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -108.82 -127.94 5.63 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.896 -0.668 . . . . 2.45 111.664 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.538 ' O ' HG23 ' A' ' 10' ' ' VAL . 91.5 m -90.11 -78.1 0.38 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.914 0.388 . . . . 2.2 110.804 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 7' ' ' CYS . . . 68.92 75.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.051 -0.522 . . . . 2.55 110.498 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 22.8 tp 69.77 30.1 3.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.014 -0.539 . . . . 3.77 110.679 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 7' ' ' CYS . 54.9 t -109.87 -79.55 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.44 . . . . 1.65 111.472 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 19.9 t70 -150.25 33.57 0.65 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.713 0.264 . . . . 2.9 111.713 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 2.0 p 176.31 -25.3 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.411 -0.358 . . . . 2.2 111.649 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.78 -176.34 54.09 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.637 -0.792 . . . . 2.67 111.412 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.82 61.26 1.76 Allowed 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.242 1.962 . . . . 2.68 112.024 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -135.96 -65.69 0.58 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.124 -0.489 . . . . 3.74 111.022 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 7.6 mpt_? -89.99 106.97 16.27 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.413 -0.358 . . . . 4.27 110.733 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.15 139.9 36.43 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.515 2.143 . . . . 2.62 112.519 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.5 m -112.37 168.66 9.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 2.85 110.476 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' A' ' 19' ' ' ARG . 16.6 tpt180 -95.52 127.0 41.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.425 -0.352 . . . . 6.47 110.614 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -89.93 137.46 32.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 3.46 111.118 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.0 m -109.06 -25.94 10.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 2.48 111.006 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.21 -139.73 3.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 1.14 112.518 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.05 103.15 15.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 3.3 110.933 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 m -150.4 96.06 2.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.95 -0.568 . . . . 1.72 110.252 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.3 p -93.25 117.69 30.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 1.98 111.263 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -139.9 107.3 5.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.929 -0.578 . . . . 2.01 110.979 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.2 m . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.186 -0.912 . . . . 2.84 110.815 179.872 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.462 ' CD1' HG13 ' A' ' 10' ' ' VAL . 48.2 p90 . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.86 0.362 . . . . 1.91 110.857 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.405 ' HB3' ' HB2' ' A' ' 24' ' ' SME . 60.8 m-85 -90.07 146.24 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 3.88 111.063 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.485 ' SG ' HG21 ' A' ' 10' ' ' VAL . 77.8 m -120.93 120.89 29.12 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 1.7 111.029 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 94.4 Cg_endo -85.84 -47.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.637 2.225 . . . . 1.45 112.483 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.1 m-85 -117.04 -23.58 7.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 2.6 110.889 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.96 -128.35 2.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.792 -0.718 . . . . 2.45 112.438 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 13' ' ' GLY . 50.7 t -89.86 20.78 3.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.82 0.343 . . . . 2.2 110.901 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.476 ' HA ' ' N ' ' A' ' 14' ' ' PRO . . . -50.46 -82.63 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.801 0.334 . . . . 2.55 111.444 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.6 tp -95.74 43.51 1.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.013 0.435 . . . . 3.77 109.998 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.485 HG21 ' SG ' ' A' ' 3' ' ' CYS . 49.2 t -109.57 -84.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.056 -0.52 . . . . 1.65 111.927 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.483 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.0 t70 -150.7 36.91 0.64 Allowed 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 112.465 0.543 . . . . 2.9 112.465 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 8.5 p 178.69 -40.75 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.265 0.468 . . . . 2.2 112.265 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 7' ' ' CYS . . . 126.21 175.9 14.32 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 111.41 -0.676 . . . . 2.67 111.41 -178.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.476 ' N ' ' HA ' ' A' ' 8' ' ' ALA . 88.4 Cg_endo -80.24 67.46 8.61 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.243 1.962 . . . . 2.68 112.201 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -146.29 -32.4 0.34 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.073 -0.512 . . . . 3.74 111.924 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.436 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 4.1 mmp_? -89.68 119.25 69.49 Favored Pre-proline 0 C--N 1.332 -0.17 0 CA-C-O 120.54 0.209 . . . . 4.27 111.085 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -81.2 124.07 4.72 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.59 2.193 . . . . 2.62 112.299 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 72.4 m -113.02 174.02 6.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 2.85 110.933 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -97.98 127.04 43.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.951 -0.568 . . . . 6.47 110.806 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.99 124.76 35.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 3.46 110.979 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.1 m -102.39 -30.36 11.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 2.48 110.959 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.4 -141.91 3.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 1.14 112.465 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.05 111.22 22.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 3.3 110.908 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SME . . . . . 0.405 ' HB2' ' HB3' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.5 t -150.56 92.44 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 1.72 110.149 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.479 ' SG ' HG21 ' A' ' 10' ' ' VAL . 14.4 p -111.01 102.8 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.49 0.662 . . . . 1.98 111.025 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -122.33 115.54 22.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.655 -0.702 . . . . 2.01 111.069 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.33 -0.843 . . . . 2.84 110.925 179.752 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.7 p90 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.87 0.367 . . . . 1.91 110.937 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.429 ' HB2' ' HB2' ' A' ' 24' ' ' SME . 48.1 p90 -87.94 134.99 33.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.524 . . . . 3.88 111.0 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 p -99.17 127.99 33.22 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.28 -0.418 . . . . 1.7 110.899 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.437 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 91.2 Cg_endo -85.17 -21.11 3.16 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.507 2.138 . . . . 1.45 112.349 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.437 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 13.8 m-85 -144.96 -47.63 0.24 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.181 -0.463 . . . . 2.6 110.653 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.14 -103.48 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.901 -0.666 . . . . 2.45 112.294 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.402 ' HA ' ' CG2' ' A' ' 10' ' ' VAL . 48.8 t -90.22 14.22 13.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.726 0.298 . . . . 2.2 111.018 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.421 ' HA ' ' N ' ' A' ' 14' ' ' PRO . . . -51.74 -54.57 26.95 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.902 0.382 . . . . 2.55 111.35 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.5 mt -119.26 34.9 5.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.127 -0.488 . . . . 3.77 110.679 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.402 ' CG2' ' HA ' ' A' ' 7' ' ' CYS . 91.6 t -100.39 -86.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 1.65 111.44 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -150.65 40.19 0.74 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 111.794 0.294 . . . . 2.9 111.794 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.7 p -176.92 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 2.2 111.664 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.87 -174.61 15.29 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.859 -0.686 . . . . 2.67 111.885 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' N ' ' HA ' ' A' ' 8' ' ' ALA . 74.5 Cg_endo -74.62 66.09 5.67 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.499 2.133 . . . . 2.68 112.299 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -139.53 -54.99 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 3.74 111.171 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -89.9 128.85 48.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.407 . . . . 4.27 110.94 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -81.5 128.0 5.97 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.467 2.111 . . . . 2.62 112.419 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.7 m -104.32 172.29 6.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 2.85 110.761 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -98.88 128.95 45.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 6.47 111.06 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -98.5 142.47 30.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 3.46 110.773 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 t -115.47 -35.55 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 2.48 111.371 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.64 -136.72 3.61 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.644 -0.789 . . . . 1.14 112.583 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.09 104.5 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 3.3 110.934 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SME . . . . . 0.429 ' HB2' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.7 m -150.62 61.95 0.94 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.06 -0.518 . . . . 1.72 110.171 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.5 m -91.07 113.96 26.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.634 . . . . 1.98 111.007 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -139.36 122.38 16.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 2.01 110.948 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.3 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.229 -0.891 . . . . 2.84 110.854 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.453 ' CD1' HG13 ' A' ' 10' ' ' VAL . 22.9 p90 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.879 0.371 . . . . 1.91 111.035 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -90.16 152.41 21.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 3.88 111.087 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.9 t -115.73 101.48 54.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 1.7 111.077 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.432 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 94.2 Cg_endo -80.89 -21.4 6.95 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.433 2.089 . . . . 1.45 112.308 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.432 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 12.2 m-85 -144.62 -64.16 0.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 2.6 110.691 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.472 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -152.35 -110.81 0.46 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.891 -0.671 . . . . 2.45 112.219 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.2 t -90.09 11.19 21.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.74 0.305 . . . . 2.2 111.029 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -62.43 119.19 8.64 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.811 0.339 . . . . 2.55 111.085 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 23.4 tp 55.28 24.33 6.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 3.77 110.862 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.472 HG21 ' O ' ' A' ' 6' ' ' GLY . 67.0 t -99.93 -74.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.425 . . . . 1.65 111.023 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.8 t70 -150.11 31.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 2.9 111.258 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 7.7 p 177.03 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 2.2 111.102 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.9 176.65 15.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.962 -0.637 . . . . 2.67 111.861 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.464 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 73.1 Cg_endo -72.84 70.43 3.54 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.504 2.136 . . . . 2.68 112.43 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -147.06 -52.72 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 3.74 111.472 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.432 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 38.0 ttm180 -90.12 141.69 28.05 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.456 -0.338 . . . . 4.27 111.024 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 16' ' ' ARG . 86.6 Cg_endo -79.18 157.65 26.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.354 2.036 . . . . 2.62 112.232 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.9 m -138.9 171.62 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.428 . . . . 2.85 110.825 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.458 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 8.5 mpt_? -89.94 119.87 30.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 6.47 110.87 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -90.09 109.68 20.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 3.46 110.822 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.4 m -90.0 -29.26 18.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 2.48 110.909 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.49 -144.78 4.06 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.82 -0.705 . . . . 1.14 112.456 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -90.04 114.1 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.693 0.282 . . . . 3.3 110.975 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.7 m -150.75 72.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 1.72 109.983 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.2 m -89.75 119.83 30.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.916 -0.584 . . . . 1.98 111.217 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -94.64 102.08 13.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.764 -0.653 . . . . 2.01 110.451 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.249 -0.882 . . . . 2.84 110.974 -179.655 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.1 p90 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.787 0.327 . . . . 1.91 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.453 ' CD2' ' HB3' ' A' ' 24' ' ' SME . 17.5 t80 -59.97 118.39 6.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 3.88 110.89 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.69 120.14 56.64 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 1.7 111.005 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.43 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 73.7 Cg_endo -75.89 -18.71 16.66 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.416 2.078 . . . . 1.45 112.454 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 30.3 m-85 -138.76 -67.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.355 . . . . 2.6 110.943 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -172.05 -97.03 0.1 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 2.45 112.48 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.2 t -90.11 12.67 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 2.2 110.981 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -60.94 117.77 5.88 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.865 0.364 . . . . 2.55 111.156 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.1 mt 56.23 23.26 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 3.77 111.107 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.9 t -97.62 -74.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.37 . . . . 1.65 110.933 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.2 t70 -150.28 31.65 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.838 0.351 . . . . 2.9 111.244 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 8.7 p 178.52 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 2.2 111.255 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.59 179.01 15.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.96 -0.638 . . . . 2.67 112.1 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 98.1 Cg_endo -76.77 71.53 6.06 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.685 2.257 . . . . 2.68 112.525 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -149.91 -52.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.383 -0.372 . . . . 3.74 111.46 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -93.35 154.17 41.41 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.425 -0.352 . . . . 4.27 111.174 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -87.67 155.02 7.57 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.868 2.379 . . . . 2.62 112.572 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.7 m -119.05 175.06 5.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 2.85 110.805 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -89.8 83.39 6.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.986 -0.552 . . . . 6.47 110.612 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.476 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 4.6 p-10 -105.79 142.45 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 3.46 111.282 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.9 m -89.86 -25.01 21.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 2.48 110.34 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.12 -170.87 12.13 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.819 -0.628 . . . . 1.14 111.814 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -90.29 47.28 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.76 0.314 . . . . 3.3 111.313 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SME . . . . . 0.453 ' HB3' ' CD2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.9 m -150.76 61.65 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.915 0.388 . . . . 1.72 110.437 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.476 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 34.7 m -96.5 112.36 24.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.167 -0.469 . . . . 1.98 111.186 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -133.36 110.35 9.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 2.01 110.995 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.7 m . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.225 -0.893 . . . . 2.84 110.814 179.872 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.501 ' CE2' HG13 ' A' ' 10' ' ' VAL . 43.6 p90 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.906 0.384 . . . . 1.91 110.995 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.477 ' HB3' ' HB2' ' A' ' 24' ' ' SME . 96.5 m-85 -89.95 132.72 35.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 3.88 111.075 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -101.96 129.99 25.31 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 1.7 110.838 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.44 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 89.6 Cg_endo -86.69 -21.84 2.12 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.67 2.247 . . . . 1.45 112.597 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.2 m-85 -142.36 -48.08 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.397 . . . . 2.6 110.799 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.428 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -178.14 -111.78 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.846 -0.692 . . . . 2.45 112.323 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.6 t -90.35 17.46 7.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 2.2 111.169 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -67.31 118.05 10.16 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.822 0.344 . . . . 2.55 111.154 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.4 mm? 54.75 25.43 6.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 3.77 111.003 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.501 HG13 ' CE2' ' A' ' 1' ' ' PHE . 54.5 t -100.4 -73.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 1.65 111.071 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 16.0 m-20 -150.0 31.17 0.7 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.497 -0.319 . . . . 2.9 111.367 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 5.7 p 175.58 -36.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 2.2 111.284 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.18 174.76 17.71 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 111.555 -0.618 . . . . 2.67 111.555 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 71.4 Cg_endo -73.86 65.0 4.98 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.325 2.017 . . . . 2.68 112.221 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -141.85 -49.38 0.39 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.373 -0.376 . . . . 3.74 111.703 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 67.1 mtp180 -89.78 124.09 64.71 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.731 -0.213 . . . . 4.27 111.32 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 14.4 Cg_exo -69.07 134.08 28.5 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.463 2.108 . . . . 2.62 111.996 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.6 m -119.01 174.51 6.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 2.85 110.774 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -89.92 121.76 32.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 6.47 111.277 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -97.41 143.58 28.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 3.46 110.756 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.3 m -100.21 -28.05 13.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 2.48 111.105 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.54 -112.11 0.38 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 1.14 112.522 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.03 98.46 11.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 3.3 110.874 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SME . . . . . 0.477 ' HB2' ' HB3' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -150.45 61.88 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.96 -0.564 . . . . 1.72 110.081 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.6 m -90.01 117.05 28.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.732 -0.667 . . . . 1.98 111.318 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -113.68 129.89 56.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.93 -0.577 . . . . 2.01 110.262 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.303 -0.856 . . . . 2.84 110.896 -179.453 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 32.6 p90 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.981 0.42 . . . . 1.91 110.968 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -90.24 148.56 22.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 3.88 111.156 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.0 m -138.72 125.89 13.17 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 1.7 110.459 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.434 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 83.0 Cg_endo -81.67 -37.47 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.531 2.154 . . . . 1.45 113.0 -179.471 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.434 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.2 m-85 -128.95 -69.84 0.69 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.843 0.354 . . . . 2.6 111.042 -179.676 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -125.27 -148.27 7.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 2.45 112.313 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.6 p -90.36 39.58 0.98 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.719 0.295 . . . . 2.2 111.035 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.45 109.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.391 -0.368 . . . . 2.55 110.973 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 25.4 tp 60.96 29.72 19.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 3.77 110.433 -179.627 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.4 t -110.33 -69.66 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 1.65 111.048 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -150.16 27.55 0.76 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.751 0.31 . . . . 2.9 111.532 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HB3' ' NH2' ' A' ' 16' ' ' ARG . 1.6 p 168.22 38.57 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.067 -0.515 . . . . 2.2 111.762 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.87 179.89 0.01 OUTLIER Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.226 -0.511 . . . . 2.67 113.34 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -83.25 58.11 6.08 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.737 2.291 . . . . 2.68 112.286 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -131.57 -53.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 3.74 111.228 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' NH2' ' HB3' ' A' ' 12' ' ' CYS . 86.9 mtm180 -90.04 108.43 26.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 4.27 111.056 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.05 154.77 29.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.616 2.21 . . . . 2.62 112.468 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 78.5 m -121.76 174.93 6.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 2.85 110.909 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -91.19 127.43 36.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 6.47 110.8 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -89.89 131.07 36.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 3.46 110.918 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.8 m -111.52 -27.54 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 2.48 111.319 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.77 -140.41 4.33 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.585 -0.816 . . . . 1.14 112.545 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -89.94 99.35 12.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 3.3 110.871 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.8 p -150.16 107.45 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 1.72 110.285 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 29.0 p -105.64 108.13 19.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.154 0.502 . . . . 1.98 111.034 -179.444 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -131.32 107.19 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 2.01 110.977 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.261 -0.876 . . . . 2.84 110.828 -179.943 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 12.0 p90 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.914 0.388 . . . . 1.91 110.933 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -90.13 142.97 27.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 3.88 110.979 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.0 m -131.36 112.49 15.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 1.7 110.715 179.837 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.446 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 98.3 Cg_endo -87.11 -24.71 1.24 Allowed 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.725 2.283 . . . . 1.45 113.042 -179.563 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.446 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 26.5 m-85 -135.61 29.16 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.795 0.331 . . . . 2.6 111.303 -179.6 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.51 -120.64 5.72 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.643 -0.789 . . . . 2.45 112.723 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.1 t -86.52 35.89 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.301 . . . . 2.2 111.295 -179.454 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.29 96.55 1.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 2.55 110.964 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.9 mt 57.31 30.15 18.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 3.77 110.588 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 36.8 t -103.84 -52.65 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 1.65 111.442 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 21.3 t70 -149.89 30.99 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.978 -0.289 . . . . 2.9 111.768 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 17.2 p 173.74 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.243 -0.435 . . . . 2.2 111.389 179.72 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.11 159.56 9.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.871 -0.681 . . . . 2.67 111.746 -179.204 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.78 58.93 1.6 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.37 2.046 . . . . 2.68 112.605 -179.69 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -150.2 22.39 0.85 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.481 . . . . 3.74 111.114 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -143.55 138.64 15.55 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.665 -0.243 . . . . 4.27 111.159 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -81.43 115.15 2.84 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.628 2.219 . . . . 2.62 112.269 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.57 172.47 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 2.85 110.834 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -100.73 108.48 20.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 6.47 111.049 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -94.3 105.71 17.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 3.46 110.765 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.7 m -94.05 -28.98 15.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 2.48 111.263 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.06 -151.61 6.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.628 -0.796 . . . . 1.14 112.658 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.411 ' HB2' ' CE ' ' A' ' 24' ' ' SME . 1.3 p90 -90.04 115.48 27.34 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.828 0.346 . . . . 3.3 110.859 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' SME . . . . . 0.411 ' CE ' ' HB2' ' A' ' 23' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -150.15 88.36 1.52 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.926 -0.579 . . . . 1.72 110.398 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.7 p -89.93 118.43 29.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.082 -0.508 . . . . 1.98 111.138 -179.39 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -117.48 98.94 6.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.951 -0.568 . . . . 2.01 110.744 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.225 -0.893 . . . . 2.84 110.894 -179.952 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.452 ' CE1' HG11 ' A' ' 10' ' ' VAL . 50.9 p90 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.9 0.381 . . . . 1.91 110.893 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -84.79 125.74 32.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 3.88 111.183 -179.764 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.7 p -94.64 120.87 64.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 1.7 110.888 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.443 ' HB2' ' CE2' ' A' ' 5' ' ' PHE . 97.2 Cg_endo -86.52 -28.85 0.54 Allowed 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.474 2.116 . . . . 1.45 112.363 179.803 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 4' ' ' PRO . 2.1 m-85 -150.16 29.12 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 2.6 110.697 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.507 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 98.83 -118.25 6.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 2.45 112.179 -179.623 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -90.22 14.39 12.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.664 0.268 . . . . 2.2 111.077 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -58.81 113.03 1.86 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.826 0.346 . . . . 2.55 111.09 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.46 HD22 ' N ' ' A' ' 9' ' ' LEU . 3.3 mm? 49.91 27.67 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 3.77 111.084 -179.62 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 8' ' ' ALA . 51.7 t -98.76 -68.45 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 1.65 111.244 -179.734 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.535 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.0 t70 -149.78 30.85 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.477 -0.328 . . . . 2.9 111.454 -179.712 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.535 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 11.4 p 173.96 -36.0 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.167 -0.47 . . . . 2.2 111.489 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.54 167.32 13.37 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.961 -0.638 . . . . 2.67 111.604 -178.748 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.473 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 74.2 Cg_endo -75.51 68.66 6.12 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.379 2.052 . . . . 2.68 112.334 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -150.15 -34.54 0.17 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.302 -0.408 . . . . 3.74 111.786 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.0 mmp_? -89.83 127.95 52.1 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.486 0.184 . . . . 4.27 110.729 -179.563 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 32.1 Cg_exo -58.05 163.59 9.52 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.238 1.959 . . . . 2.62 111.894 179.735 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.5 m -147.67 174.25 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.354 -0.385 . . . . 2.85 111.119 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -99.93 96.59 7.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 6.47 110.704 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -89.91 89.83 7.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 3.46 110.708 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.9 m -89.93 -27.45 19.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 2.48 111.168 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.28 -165.81 10.39 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.66 -0.781 . . . . 1.14 112.435 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -90.1 116.03 27.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.9 0.381 . . . . 3.3 110.909 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.7 m -150.25 61.62 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 1.72 110.502 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.3 m -93.87 110.88 22.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.013 -0.54 . . . . 1.98 111.209 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -92.71 90.0 6.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 2.01 110.414 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.262 -0.875 . . . . 2.84 110.944 -179.495 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.4 ' CD1' ' O ' ' A' ' 1' ' ' PHE . 37.7 p90 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.849 0.357 . . . . 1.91 110.869 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.446 ' HB2' ' HB2' ' A' ' 24' ' ' SME . 49.5 p90 -89.78 150.68 22.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 3.88 111.221 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.0 t -113.87 109.86 49.66 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.956 -0.565 . . . . 1.7 111.066 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 86.5 Cg_endo -84.42 -20.62 3.92 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.516 2.144 . . . . 1.45 112.331 179.71 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.2 m-85 -143.75 -59.27 0.4 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.258 -0.428 . . . . 2.6 110.76 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.409 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -164.42 -112.68 0.27 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.948 -0.644 . . . . 2.45 112.326 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.2 t -90.21 18.67 5.74 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.823 0.344 . . . . 2.2 110.887 179.716 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -67.96 117.96 10.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.896 0.379 . . . . 2.55 111.19 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 23.2 tp 55.98 23.43 6.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 3.77 110.857 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 6' ' ' GLY . 49.0 t -98.24 -74.23 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 1.65 110.96 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 20.2 m-20 -150.25 31.39 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.729 0.3 . . . . 2.9 111.431 179.839 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 6.2 p 177.1 -37.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.107 -0.497 . . . . 2.2 111.262 179.845 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.63 172.66 14.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.895 -0.669 . . . . 2.67 111.883 -179.106 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.538 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 62.5 Cg_endo -71.27 70.35 2.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.516 2.144 . . . . 2.68 112.351 -179.892 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -147.33 -46.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 3.74 111.595 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 78.3 mtp180 -92.74 128.52 43.63 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.579 -0.282 . . . . 4.27 111.257 -179.472 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 25.2 Cg_exo -63.14 168.88 10.1 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.383 2.055 . . . . 2.62 112.03 179.466 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.518 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 7.9 m -145.46 171.86 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 2.85 110.867 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -89.97 115.57 27.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 6.47 110.732 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -89.78 100.47 13.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 3.46 110.938 -179.879 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -90.06 -29.31 18.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 2.48 111.011 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.37 -144.77 4.0 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.801 -0.714 . . . . 1.14 112.457 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.424 ' HB2' ' CE ' ' A' ' 24' ' ' SME . 1.3 p90 -90.15 116.65 28.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 3.3 110.88 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' SME . . . . . 0.446 ' HB2' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -150.82 72.0 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 1.72 110.312 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.415 ' HB3' ' CB ' ' A' ' 18' ' ' CYS . 56.3 m -89.87 111.54 22.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.033 -0.531 . . . . 1.98 111.225 -179.293 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -105.07 91.57 3.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 2.01 111.099 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.233 -0.889 . . . . 2.84 110.93 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.506 ' CZ ' HG13 ' A' ' 10' ' ' VAL . 37.7 p90 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.986 0.422 . . . . 1.9099999999999999 110.973 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -57.23 125.27 22.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.973 -0.558 . . . . 3.8799999999999999 111.344 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 p -96.54 159.61 31.42 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 1.7 110.723 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.554 ' HG2' ' HB3' ' A' ' 8' ' ' ALA . 52.7 Cg_endo -87.5 -69.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.618 2.212 . . . . 1.45 112.653 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.411 ' CD2' ' HB2' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -150.42 25.74 0.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.49 -0.323 . . . . 2.6000000000000001 111.183 -179.648 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.463 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 151.95 -136.05 5.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.599 -0.81 . . . . 2.4500000000000002 112.547 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.1 t -90.21 14.66 12.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.607 0.241 . . . . 2.2000000000000002 111.175 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.687 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -68.17 119.56 12.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.837 0.351 . . . . 2.5499999999999998 111.07 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 9' ' ' LEU . 5.6 mp 56.82 25.02 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 3.77 110.855 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.506 HG13 ' CZ ' ' A' ' 1' ' ' PHE . 57.5 t -102.26 -74.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 1.6499999999999999 111.022 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.456 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.5 t70 -150.18 31.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 2.8999999999999999 111.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 5.4 p 177.3 -39.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.025 -0.534 . . . . 2.2000000000000002 111.171 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.89 173.45 14.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.925 -0.655 . . . . 2.6699999999999999 111.851 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.687 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 68.6 Cg_endo -72.42 69.18 3.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.462 2.108 . . . . 2.6800000000000002 112.261 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -145.1 -52.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 3.7400000000000002 111.149 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -89.98 142.9 29.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.36 -0.382 . . . . 4.2699999999999996 110.777 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -80.67 156.12 21.16 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.574 2.183 . . . . 2.6200000000000001 112.321 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.0 m -135.12 172.65 12.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 2.8500000000000001 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -89.76 97.82 11.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 6.4699999999999998 111.158 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -107.43 108.45 19.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 3.46 110.755 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.2 m -106.27 -26.13 11.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 2.48 111.359 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.47 153.44 19.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.635 -0.793 . . . . 1.1399999999999999 112.614 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.468 0.466 0 CA-C-O 120.784 0.326 . . . . 3.2999999999999998 110.961 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.456 -0.142 0 CA-C-O 121.016 0.436 . . . . 1.72 110.228 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.5 m -89.83 115.24 27.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.914 -0.585 . . . . 1.98 111.223 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -103.77 112.22 25.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.002 -0.544 . . . . 2.0099999999999998 110.468 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.293 -0.861 . . . . 2.8399999999999999 110.984 -179.559 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 39.4 p90 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.96 0.41 . . . . 1.9099999999999999 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -86.2 144.97 27.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.948 -0.569 . . . . 3.8799999999999999 111.261 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.6 p -101.32 146.8 32.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 1.7 110.883 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.422 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 90.2 Cg_endo -88.25 -17.23 2.46 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.792 2.328 . . . . 1.45 112.793 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.422 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 22.2 m-85 -146.07 -67.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 2.6000000000000001 110.915 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.546 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -153.2 -118.79 0.73 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.811 -0.709 . . . . 2.4500000000000002 112.44 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.1 t -78.95 0.41 27.57 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.569 0.224 . . . . 2.2000000000000002 111.272 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -54.02 120.89 7.0 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.805 0.336 . . . . 2.5499999999999998 111.284 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt 55.26 23.91 5.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 3.77 111.026 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' ' 6' ' ' GLY . 52.4 t -102.72 -72.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.302 -0.408 . . . . 1.6499999999999999 111.037 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 39.6 m-20 -150.09 31.62 0.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.567 -0.288 . . . . 2.8999999999999999 111.526 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 11.9 p 176.04 -38.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.203 -0.453 . . . . 2.2000000000000002 111.318 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 115.58 174.02 17.71 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.031 -0.604 . . . . 2.6699999999999999 111.592 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.46 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 61.3 Cg_endo -72.58 65.08 3.81 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.333 2.022 . . . . 2.6800000000000002 112.124 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -146.14 -50.89 0.23 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.289 -0.414 . . . . 3.7400000000000002 111.523 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -94.88 150.73 38.25 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.715 0.293 . . . . 4.2699999999999996 110.784 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.23 149.65 40.92 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.392 2.061 . . . . 2.6200000000000001 112.4 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -126.4 173.75 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 2.8500000000000001 110.635 -179.793 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.72 93.95 5.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.258 -0.428 . . . . 6.4699999999999998 110.751 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 4.6 p30 -118.92 138.59 52.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 3.46 111.144 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.1 m -89.83 -25.83 20.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 2.48 110.716 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.4 -169.93 11.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.958 -0.639 . . . . 1.1399999999999999 112.072 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 N--CA 1.466 0.353 0 CA-C-O 120.845 0.355 . . . . 3.2999999999999998 111.067 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.832 0.348 . . . . 1.72 110.741 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.406 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 92.8 m -89.87 116.05 27.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.118 0.485 . . . . 1.98 111.221 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -135.02 110.79 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.78 -0.645 . . . . 2.0099999999999998 110.551 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 54.3 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.194 -0.908 . . . . 2.8399999999999999 110.799 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.4 ' CZ ' ' OD2' ' A' ' 27' ' ' ASP . 30.6 p90 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.949 0.404 . . . . 1.9099999999999999 111.043 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 36.1 p90 -82.42 144.18 30.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.052 -0.522 . . . . 3.8799999999999999 111.16 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.2 p -106.59 117.39 57.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 1.7 110.944 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 97.4 Cg_endo -86.25 -22.57 2.14 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.409 2.072 . . . . 1.45 112.378 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.442 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.0 m-85 -149.98 22.95 0.86 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.413 -0.358 . . . . 2.6000000000000001 111.161 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.13 -108.34 3.33 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.663 -0.78 . . . . 2.4500000000000002 112.706 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' HA ' ' CG2' ' A' ' 10' ' ' VAL . 48.9 t -89.34 11.72 18.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.63 0.253 . . . . 2.2000000000000002 111.173 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.404 ' HA ' ' N ' ' A' ' 14' ' ' PRO . . . -54.29 -43.05 70.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.835 0.35 . . . . 2.5499999999999998 111.559 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.99 33.59 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 3.77 110.812 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 7' ' ' CYS . 83.5 t -102.49 -87.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 1.6499999999999999 111.403 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -150.62 41.06 0.77 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.638 0.256 . . . . 2.8999999999999999 111.545 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 p -175.79 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.919 0.39 . . . . 2.2000000000000002 111.626 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.77 -173.84 15.54 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.946 -0.645 . . . . 2.6699999999999999 111.784 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.404 ' N ' ' HA ' ' A' ' 8' ' ' ALA . 67.0 Cg_endo -72.96 67.16 4.05 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.372 2.048 . . . . 2.6800000000000002 112.339 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -143.67 -54.01 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 3.7400000000000002 111.103 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -89.91 134.69 31.43 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.482 -0.327 . . . . 4.2699999999999996 110.853 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -84.08 123.42 3.12 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.678 2.252 . . . . 2.6200000000000001 112.423 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 72.0 m -98.59 172.14 7.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 2.8500000000000001 110.88 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -90.61 120.53 31.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 6.4699999999999998 110.874 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -101.1 112.93 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 3.46 110.861 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.5 m -91.93 -31.17 15.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 2.48 110.913 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.39 -153.25 6.17 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.83 -0.7 . . . . 1.1399999999999999 112.32 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 3.2999999999999998 110.843 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.0 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.943 0.402 . . . . 1.72 110.261 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 57.1 m -91.63 115.42 28.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.035 -0.529 . . . . 1.98 110.961 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.4 ' OD2' ' CZ ' ' A' ' 1' ' ' PHE . 7.4 m-20 -127.83 125.37 39.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.053 -0.521 . . . . 2.0099999999999998 111.108 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.25 -0.881 . . . . 2.8399999999999999 110.879 179.796 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.7 p90 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.937 0.398 . . . . 1.9099999999999999 110.845 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -90.05 146.82 24.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 3.8799999999999999 110.96 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 6' ' ' GLY . 30.9 p -113.23 111.53 50.06 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.4 -0.364 . . . . 1.7 111.055 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.43 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 91.2 Cg_endo -87.71 -24.4 1.13 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.673 2.248 . . . . 1.45 112.875 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 4.3 m-85 -150.05 49.44 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.772 0.32 . . . . 2.6000000000000001 110.841 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . 93.17 -152.03 20.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 2.4500000000000002 111.964 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.4 p -89.54 39.3 0.94 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.899 0.38 . . . . 2.2000000000000002 111.0 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -65.45 124.15 21.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 2.5499999999999998 110.517 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 28.1 tp 63.96 16.09 9.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.331 -0.395 . . . . 3.77 110.5 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.3 t -101.12 -80.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.449 -0.341 . . . . 1.6499999999999999 110.765 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -150.5 30.34 0.68 Allowed 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.848 0.356 . . . . 2.8999999999999999 111.173 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 p 171.97 30.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.193 -0.458 . . . . 2.2000000000000002 112.13 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 44.56 -171.05 0.01 OUTLIER Glycine 0 C--N 1.334 0.43 0 C-N-CA 121.099 -0.572 . . . . 2.6699999999999999 113.33 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.459 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 98.4 Cg_endo -87.17 55.04 2.97 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.693 2.262 . . . . 2.6800000000000002 112.386 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -150.08 23.61 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 3.7400000000000002 111.37 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -150.1 124.02 4.52 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.574 -0.284 . . . . 4.2699999999999996 110.926 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.66 144.91 15.93 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.54 2.16 . . . . 2.6200000000000001 112.641 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.9 m -125.53 172.8 9.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.519 . . . . 2.8500000000000001 110.683 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -90.39 103.37 16.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 6.4699999999999998 110.883 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.89 141.86 28.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 3.46 110.978 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.7 t -105.92 -25.55 12.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 2.48 111.281 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.58 -140.99 3.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.633 -0.794 . . . . 1.1399999999999999 112.6 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 3.2999999999999998 110.841 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 CA--C 1.521 -0.136 0 N-CA-C 109.436 -0.579 . . . . 1.72 109.436 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.3 m -89.98 119.6 30.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.527 -0.761 . . . . 1.98 111.412 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -142.05 113.81 7.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.882 -0.599 . . . . 2.0099999999999998 110.794 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.3 m . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.278 -0.868 . . . . 2.8399999999999999 110.853 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.484 ' CE2' HG13 ' A' ' 10' ' ' VAL . 27.0 p90 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.966 0.413 . . . . 1.9099999999999999 110.99 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -89.96 139.25 30.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.533 . . . . 3.8799999999999999 110.995 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.9 p -106.79 122.81 40.54 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.535 -0.302 . . . . 1.7 111.019 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.447 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 90.6 Cg_endo -83.82 -32.62 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.574 2.182 . . . . 1.45 112.434 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.447 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.3 m-85 -135.73 -65.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 2.6000000000000001 110.635 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.63 -136.85 3.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.029 -0.605 . . . . 2.4500000000000002 112.004 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.5 p -90.46 41.63 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.006 0.431 . . . . 2.2000000000000002 110.805 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.95 -26.22 14.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.975 -0.557 . . . . 2.5499999999999998 111.584 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 29.1 tp -148.05 41.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 3.77 111.04 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.484 HG13 ' CE2' ' A' ' 1' ' ' PHE . 19.1 t -118.77 -77.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.633 -0.258 . . . . 1.6499999999999999 111.464 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -150.44 37.0 0.66 Allowed 'General case' 0 C--O 1.231 0.09 0 N-CA-C 112.193 0.442 . . . . 2.8999999999999999 112.193 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 p 173.62 27.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.432 0.531 . . . . 2.2000000000000002 112.432 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.31 -164.95 0.01 OUTLIER Glycine 0 CA--C 1.521 0.457 0 C-N-CA 121.135 -0.555 . . . . 2.6699999999999999 113.351 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -86.21 67.27 5.03 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.726 2.284 . . . . 2.6800000000000002 112.428 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -146.24 -46.34 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.353 -0.385 . . . . 3.7400000000000002 111.264 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -96.44 148.68 34.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 4.2699999999999996 110.89 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.5 168.49 24.21 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.467 2.112 . . . . 2.6200000000000001 112.192 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -141.61 172.22 12.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 2.8500000000000001 110.741 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -100.66 121.4 41.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 6.4699999999999998 110.844 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.98 134.26 34.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 3.46 110.955 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.9 m -113.54 -33.49 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 2.48 110.974 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -157.34 -134.43 1.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.823 -0.703 . . . . 1.1399999999999999 112.524 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 3.2999999999999998 110.939 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 CA--C 1.522 -0.12 0 CA-C-O 121.076 0.465 . . . . 1.72 109.873 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 86.1 m -89.8 117.75 28.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.807 -0.633 . . . . 1.98 111.283 -178.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -122.91 114.14 20.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.56 . . . . 2.0099999999999998 110.743 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.412 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 50.6 m . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.231 -0.89 . . . . 2.8399999999999999 110.888 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.446 ' CE1' HG22 ' A' ' 10' ' ' VAL . 23.6 p90 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.972 0.415 . . . . 1.9099999999999999 110.998 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -89.99 138.09 31.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.016 -0.538 . . . . 3.8799999999999999 111.151 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.1 p -103.71 126.79 30.98 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 1.7 110.825 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.45 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 83.3 Cg_endo -82.55 -23.81 3.88 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.576 2.184 . . . . 1.45 112.384 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.45 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.0 m-85 -139.64 -56.68 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 2.6000000000000001 110.555 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.23 -104.3 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.979 -0.629 . . . . 2.4500000000000002 112.257 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 41.8 t -90.41 39.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 2.2000000000000002 110.87 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -46.69 -59.61 2.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.448 -0.342 . . . . 2.5499999999999998 111.543 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.3 mt -138.79 50.82 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 3.77 110.791 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.446 HG22 ' CE1' ' A' ' 1' ' ' PHE . 62.9 t -103.03 -88.16 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 116.237 -0.438 . . . . 1.6499999999999999 111.503 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -150.56 38.42 0.69 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.75 0.31 . . . . 2.8999999999999999 110.943 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.7 p -176.8 21.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.326 0.491 . . . . 2.2000000000000002 112.326 -179.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.16 -175.18 0.02 OUTLIER Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.597 -0.811 . . . . 2.6699999999999999 112.52 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.6 59.77 6.35 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.416 2.077 . . . . 2.6800000000000002 112.21 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -135.41 -56.17 0.8 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.438 . . . . 3.7400000000000002 111.183 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.2 mmm-85 -89.76 134.26 32.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.402 -0.363 . . . . 4.2699999999999996 110.839 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -81.57 148.1 15.95 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.624 2.216 . . . . 2.6200000000000001 112.649 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 78.4 m -122.13 168.99 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 2.8500000000000001 110.82 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 125.11 44.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 6.4699999999999998 111.0 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -116.49 142.27 47.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 3.46 110.756 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.0 m -113.22 -18.4 12.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.406 -0.361 . . . . 2.48 111.619 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.61 -156.79 8.73 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.459 -0.877 . . . . 1.1399999999999999 112.699 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 3.2999999999999998 110.649 179.917 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 m . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 121.154 0.502 . . . . 1.72 109.678 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 67.0 m -89.85 118.02 29.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.584 -0.734 . . . . 1.98 111.149 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -137.6 121.59 17.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 2.0099999999999998 111.038 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 m . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.219 -0.896 . . . . 2.8399999999999999 110.787 179.675 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.417 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 19.6 p90 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.954 0.407 . . . . 1.9099999999999999 110.992 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -90.3 145.83 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 3.8799999999999999 111.198 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -139.98 129.56 13.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 1.7 110.114 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.63 -46.57 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.506 2.138 . . . . 1.45 113.173 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -127.98 -68.79 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 2.6000000000000001 110.525 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -108.24 -114.44 3.78 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.771 -0.728 . . . . 2.4500000000000002 111.832 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.536 ' O ' HG23 ' A' ' 10' ' ' VAL . 94.1 m -89.17 -74.86 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 2.2000000000000002 110.711 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 7' ' ' CYS . . . 71.98 72.48 0.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.609 . . . . 2.5499999999999998 110.439 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.7 mt 67.37 31.79 6.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.878 -0.601 . . . . 3.77 110.868 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 7' ' ' CYS . 59.5 t -108.49 -75.87 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.203 -0.453 . . . . 1.6499999999999999 111.339 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.496 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 20.2 t70 -150.26 33.99 0.65 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.756 0.28 . . . . 2.8999999999999999 111.756 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 1.9 p 176.08 -28.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.355 -0.384 . . . . 2.2000000000000002 111.392 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.05 -176.53 47.28 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.698 -0.763 . . . . 2.6699999999999999 111.627 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.49 63.7 2.22 Favored 'Trans proline' 0 CA--C 1.527 0.174 0 C-N-CA 122.333 2.022 . . . . 2.6800000000000002 112.07 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -142.34 -63.58 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 3.7400000000000002 111.412 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -89.76 109.92 35.84 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.465 -0.334 . . . . 4.2699999999999996 110.98 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.37 142.29 40.69 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.443 2.095 . . . . 2.6200000000000001 112.426 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 80.2 m -109.15 174.51 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 2.8500000000000001 110.803 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.454 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 7.8 mpt_? -89.86 124.15 34.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 6.4699999999999998 110.545 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.76 128.31 36.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 3.46 110.928 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 t -108.85 -27.17 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 2.48 111.212 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.8 -137.86 3.07 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.565 -0.826 . . . . 1.1399999999999999 112.645 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 3.2999999999999998 110.941 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.804 0.335 . . . . 1.72 110.482 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 31.2 p -104.23 106.84 17.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 1.98 111.054 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -120.43 98.94 6.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 2.0099999999999998 111.181 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.27 -0.872 . . . . 2.8399999999999999 110.847 179.784 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.1 p90 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.929 0.395 . . . . 1.9099999999999999 110.966 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -90.02 136.39 33.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 3.8799999999999999 110.986 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 p -103.9 132.81 20.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 1.7 110.986 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.439 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 88.1 Cg_endo -84.95 -20.35 3.58 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.54 2.16 . . . . 1.45 112.475 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.439 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.0 m-85 -144.12 -65.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 2.6000000000000001 110.813 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -158.91 -104.9 0.21 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.861 -0.685 . . . . 2.4500000000000002 112.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -90.13 10.79 23.04 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.797 0.332 . . . . 2.2000000000000002 110.851 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.17 -71.92 0.06 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.789 0.328 . . . . 2.5499999999999998 111.442 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 9' ' ' LEU . 5.7 mp -98.17 33.11 2.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 3.77 110.655 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.421 HG11 ' SG ' ' A' ' 28' ' ' CYS . 59.3 t -101.93 -88.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.343 -0.389 . . . . 1.6499999999999999 111.525 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 23.5 t70 -150.72 38.68 0.69 Allowed 'General case' 0 CA--C 1.527 0.074 0 N-CA-C 112.126 0.417 . . . . 2.8999999999999999 112.126 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 6.4 p -177.54 -40.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.813 -0.355 . . . . 2.2000000000000002 111.889 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.58 179.28 16.24 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.813 -0.708 . . . . 2.6699999999999999 111.965 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.51 66.0 2.93 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.53 2.153 . . . . 2.6800000000000002 112.29 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -140.88 -49.39 0.43 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 3.7400000000000002 111.293 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -94.15 144.19 27.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.452 -0.34 . . . . 4.2699999999999996 111.077 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -78.17 168.47 21.77 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.644 2.23 . . . . 2.6200000000000001 112.284 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.557 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 3.4 m -145.24 165.69 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 2.8500000000000001 110.715 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -89.9 87.23 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 6.4699999999999998 110.482 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.501 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 4.7 p-10 -116.92 138.81 51.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 3.46 111.407 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.7 m -89.85 -23.27 21.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.913 -0.585 . . . . 2.48 110.19 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.9 -172.98 13.76 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.772 -0.649 . . . . 1.1399999999999999 111.737 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.718 0.294 . . . . 3.2999999999999998 111.039 179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.763 0.316 . . . . 1.72 110.764 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.501 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 61.2 m -98.08 109.82 22.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.991 0.424 . . . . 1.98 111.352 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -118.43 100.0 7.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.843 -0.617 . . . . 2.0099999999999998 110.91 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.557 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.218 -0.896 . . . . 2.8399999999999999 110.961 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.411 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 22.5 p90 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.904 0.383 . . . . 1.9099999999999999 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -90.19 147.33 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 3.8799999999999999 111.143 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.408 ' SG ' HG21 ' A' ' 10' ' ' VAL . 3.3 m -141.98 128.55 11.13 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.079 -0.51 . . . . 1.7 110.291 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.41 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 84.7 Cg_endo -81.56 -44.6 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.504 2.136 . . . . 1.45 112.902 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.41 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 3.1 m-85 -125.4 -68.77 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 2.6000000000000001 110.68 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.41 -110.28 3.15 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.813 -0.708 . . . . 2.4500000000000002 111.867 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.507 ' O ' HG23 ' A' ' 10' ' ' VAL . 98.8 m -90.12 -77.15 0.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.937 0.398 . . . . 2.2000000000000002 110.854 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 7' ' ' CYS . . . 73.38 73.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.912 -0.585 . . . . 2.5499999999999998 110.179 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.585 HD12 ' N ' ' A' ' 9' ' ' LEU . 5.2 mp 65.75 34.18 7.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.833 -0.621 . . . . 3.77 110.602 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 7' ' ' CYS . 52.1 t -110.29 -75.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 1.6499999999999999 111.546 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 20.2 m-20 -150.17 34.16 0.66 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.862 0.319 . . . . 2.8999999999999999 111.862 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 2.5 p 176.32 -31.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.437 -0.347 . . . . 2.2000000000000002 111.382 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.25 -172.85 42.03 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.793 -0.718 . . . . 2.6699999999999999 111.515 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.04 64.55 6.94 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.278 1.985 . . . . 2.6800000000000002 112.222 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -144.42 -50.8 0.29 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.351 -0.386 . . . . 3.7400000000000002 111.608 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 88.5 mtt180 -96.85 137.92 21.35 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.57 0.224 . . . . 4.2699999999999996 110.912 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.03 162.99 36.16 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.604 2.203 . . . . 2.6200000000000001 112.44 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.536 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 13.4 m -142.3 161.61 37.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 2.8500000000000001 110.711 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -89.98 124.01 34.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 6.4699999999999998 110.907 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -90.0 137.01 32.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 3.46 110.853 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 22' ' ' GLY . 8.1 t -127.67 -42.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 2.48 111.292 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' N ' HG23 ' A' ' 21' ' ' THR . . . -134.75 -178.74 15.87 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.671 -0.776 . . . . 1.1399999999999999 112.642 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.396 0 CA-C-O 120.738 0.304 . . . . 3.2999999999999998 111.138 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.798 0.332 . . . . 1.72 110.234 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.408 ' HB2' ' CB ' ' A' ' 18' ' ' CYS . 28.9 p -109.14 104.72 13.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.049 0.452 . . . . 1.98 111.189 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.23 88.14 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.904 -0.589 . . . . 2.0099999999999998 111.061 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.536 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.2 p . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.276 -0.869 . . . . 2.8399999999999999 110.978 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 33.0 p90 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.973 0.416 . . . . 1.9099999999999999 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -59.01 131.69 51.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 3.8799999999999999 111.153 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.4 m -118.46 161.8 33.58 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.188 -0.46 . . . . 1.7 110.906 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.459 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 32.1 Cg_exo -57.28 -63.24 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.471 2.114 . . . . 1.45 112.722 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -149.68 -52.73 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.115 -0.493 . . . . 2.6000000000000001 111.043 -179.086 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.87 -154.48 22.56 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.714 -0.755 . . . . 2.4500000000000002 112.302 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 p -90.42 39.14 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 2.2000000000000002 111.122 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 120.65 10.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.346 -0.388 . . . . 2.5499999999999998 111.166 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 24.2 tp 60.35 28.67 18.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 3.77 110.709 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.2 t -109.34 -77.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 1.6499999999999999 111.077 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -150.45 31.13 0.66 Allowed 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.872 0.368 . . . . 2.8999999999999999 110.875 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.87 -31.43 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.13 -0.486 . . . . 2.2000000000000002 111.7 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.89 176.67 43.94 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.557 -0.83 . . . . 2.6699999999999999 113.026 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.38 64.57 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.671 2.247 . . . . 2.6800000000000002 112.336 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -150.06 -45.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 3.7400000000000002 110.933 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -96.31 142.52 24.67 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 4.2699999999999996 110.84 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.43 139.03 28.14 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.538 2.159 . . . . 2.6200000000000001 112.505 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -115.79 173.63 6.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 2.8500000000000001 110.549 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -102.56 84.41 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.391 . . . . 6.4699999999999998 110.743 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -94.56 136.05 35.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 3.46 110.934 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -89.92 -25.52 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 2.48 110.845 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.35 -159.41 8.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.938 -0.648 . . . . 1.1399999999999999 112.01 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 3.2999999999999998 110.979 179.795 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.765 0.317 . . . . 1.72 110.527 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.3 p -112.97 100.3 8.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.942 0.401 . . . . 1.98 110.984 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -130.15 101.16 5.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 2.0099999999999998 110.823 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.405 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 51.0 m . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.213 -0.898 . . . . 2.8399999999999999 110.888 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.411 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 16.2 p90 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.924 0.392 . . . . 1.9099999999999999 111.006 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -90.25 132.83 35.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 3.8799999999999999 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.2 p -102.86 122.55 45.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.477 -0.329 . . . . 1.7 110.97 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.44 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 89.1 Cg_endo -81.72 -22.59 5.3 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.44 2.093 . . . . 1.45 112.318 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.44 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 15.4 m-85 -141.9 -48.56 0.37 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 2.6000000000000001 110.726 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -174.06 -107.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.843 -0.694 . . . . 2.4500000000000002 112.287 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.8 t -90.09 9.38 28.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 2.2000000000000002 111.021 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -63.85 120.62 12.26 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.82 0.343 . . . . 2.5499999999999998 111.078 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.8 mt 57.93 25.52 12.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 3.77 111.093 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 6' ' ' GLY . 61.8 t -103.94 -75.81 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.356 -0.384 . . . . 1.6499999999999999 111.035 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 23.2 t70 -150.23 31.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.93 0.395 . . . . 2.8999999999999999 111.179 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 4.7 p 178.8 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.929 -0.578 . . . . 2.2000000000000002 110.961 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.85 178.97 17.36 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.99 -0.624 . . . . 2.6699999999999999 112.064 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 69.0 Cg_endo -73.51 67.1 4.57 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.564 2.176 . . . . 2.6800000000000002 112.223 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -142.7 -51.33 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 3.7400000000000002 111.228 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -89.91 131.72 38.51 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.409 -0.36 . . . . 4.2699999999999996 111.101 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -83.21 122.03 3.2 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.671 2.247 . . . . 2.6200000000000001 112.459 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 86.2 m -98.11 173.49 7.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 2.8500000000000001 110.825 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -99.93 117.45 34.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 6.4699999999999998 110.944 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.88 137.69 32.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 3.46 110.83 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.0 m -112.19 -32.35 6.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 2.48 111.107 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -140.69 -140.62 3.89 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 1.1399999999999999 112.501 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 3.2999999999999998 110.935 -179.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.998 0.427 . . . . 1.72 110.184 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 58.8 m -95.37 109.68 21.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.888 -0.596 . . . . 1.98 111.003 -179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -130.21 122.85 28.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 2.0099999999999998 111.043 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.6 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.237 -0.887 . . . . 2.8399999999999999 110.839 179.729 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.414 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 16.6 p90 . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.886 0.374 . . . . 1.9099999999999999 111.081 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -90.3 132.01 35.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 3.8799999999999999 110.995 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 p -105.95 125.68 32.55 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.355 . . . . 1.7 111.135 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.429 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 85.6 Cg_endo -83.01 -24.06 3.4 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.488 2.125 . . . . 1.45 111.995 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.429 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 4.0 m-85 -149.84 -54.0 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 2.6000000000000001 110.433 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.89 -136.07 2.89 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.064 -0.588 . . . . 2.4500000000000002 112.074 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 11' ' ' ASP . 26.4 p -90.2 20.94 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 2.2000000000000002 111.368 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 14' ' ' PRO . . . -48.14 -56.89 6.75 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.128 0.418 . . . . 2.5499999999999998 112.128 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 9' ' ' LEU . 5.9 mp -90.92 20.24 4.99 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.931 0.345 . . . . 3.77 111.931 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 t -126.95 -71.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.832 0.348 . . . . 1.6499999999999999 111.229 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 7' ' ' CYS . 32.2 m-20 -150.41 -167.7 2.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 2.8999999999999999 110.093 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 37.08 31.23 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.458 0.54 . . . . 2.2000000000000002 112.458 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' ASP . . . 47.26 -174.76 0.01 OUTLIER Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.824 -0.703 . . . . 2.6699999999999999 112.823 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.442 ' HB3' ' HB1' ' A' ' 8' ' ' ALA . 68.1 Cg_endo -89.21 66.61 2.51 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.876 2.384 . . . . 2.6800000000000002 112.443 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -150.0 -42.08 0.13 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.525 -0.307 . . . . 3.7400000000000002 111.77 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -89.69 131.92 38.35 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.643 0.258 . . . . 4.2699999999999996 111.253 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -85.72 159.37 10.57 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.722 2.282 . . . . 2.6200000000000001 112.48 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.424 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 95.4 m -132.11 176.7 8.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.012 -0.54 . . . . 2.8500000000000001 110.89 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' N ' ' NE ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -89.97 122.07 32.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.859 -0.61 . . . . 6.4699999999999998 110.947 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -95.0 144.8 25.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 3.46 110.786 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.6 m -116.93 -38.45 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 2.48 111.157 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.91 -139.65 4.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 1.1399999999999999 112.529 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 3.2999999999999998 110.861 179.9 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 121.083 0.468 . . . . 1.72 109.829 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.424 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 80.3 m -90.05 118.11 29.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.815 -0.629 . . . . 1.98 111.44 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -143.72 126.66 16.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.846 -0.615 . . . . 2.0099999999999998 110.69 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.195 -0.907 . . . . 2.8399999999999999 110.877 -179.738 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.3 p90 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.842 0.353 . . . . 1.9099999999999999 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -89.16 130.57 35.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 3.8799999999999999 111.061 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.6 p -104.84 117.44 58.8 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 1.7 110.878 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 74.5 Cg_endo -77.69 -28.24 5.45 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.41 2.074 . . . . 1.45 112.43 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.442 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 15.8 m-85 -133.5 -62.84 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 2.6000000000000001 110.595 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.14 -143.1 3.6 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.844 -0.616 . . . . 2.4500000000000002 112.01 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.406 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 28.9 p -90.56 41.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 2.2000000000000002 110.817 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.75 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.98 -0.554 . . . . 2.5499999999999998 111.332 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.471 ' N ' HD22 ' A' ' 9' ' ' LEU . 3.4 mm? -96.51 29.55 2.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.241 -0.436 . . . . 3.77 110.854 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.406 ' HB ' ' HB2' ' A' ' 7' ' ' CYS . 58.1 t -104.53 -85.88 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.251 -0.431 . . . . 1.6499999999999999 111.485 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 12.3 t70 -150.78 36.19 0.62 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 113.055 0.761 . . . . 2.8999999999999999 113.055 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 13' ' ' GLY . 1.7 p 171.28 28.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.158 0.799 . . . . 2.2000000000000002 113.158 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 47.94 176.83 0.01 OUTLIER Glycine 0 CA--C 1.522 0.512 0 C-N-CA 120.853 -0.689 . . . . 2.6699999999999999 113.526 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -80.9 66.44 8.83 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.564 2.176 . . . . 2.6800000000000002 112.421 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -150.05 -37.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 3.7400000000000002 111.627 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.449 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 8.7 mpt_? -89.77 139.42 27.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.652 0.263 . . . . 4.2699999999999996 110.982 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -78.68 156.04 27.67 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.523 2.149 . . . . 2.6200000000000001 112.382 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.494 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 12.0 m -146.44 170.55 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 2.8500000000000001 110.653 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.425 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 11.1 mpt_? -89.86 136.78 32.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 6.4699999999999998 111.053 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -115.93 146.06 42.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 3.46 111.004 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.8 m -109.06 -27.83 9.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 2.48 111.034 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.09 -131.59 1.24 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.698 -0.763 . . . . 1.1399999999999999 112.508 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 120.787 0.327 . . . . 3.2999999999999998 110.859 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.5 p . . . . . 0 N--CA 1.456 -0.153 0 N-CA-C 109.813 -0.44 . . . . 1.72 109.813 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.4 m -89.71 116.22 27.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.808 -0.633 . . . . 1.98 111.359 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -138.62 111.6 7.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.957 -0.565 . . . . 2.0099999999999998 110.707 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.494 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.244 -0.884 . . . . 2.8399999999999999 110.896 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.412 ' CD2' HG22 ' A' ' 10' ' ' VAL . 30.4 p90 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.857 0.36 . . . . 1.9099999999999999 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -90.03 137.38 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 3.8799999999999999 111.156 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 6' ' ' GLY . 31.0 p -104.27 111.23 65.12 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.314 -0.403 . . . . 1.7 110.932 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HB2' ' CE1' ' A' ' 5' ' ' PHE . 11.5 Cg_exo -69.61 -38.47 8.08 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.425 2.083 . . . . 1.45 112.001 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 4' ' ' PRO . 0.7 OUTLIER -123.94 -60.58 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 2.6000000000000001 110.427 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . -151.68 -143.49 3.72 Favored Glycine 0 N--CA 1.451 -0.367 0 CA-C-N 115.875 -0.602 . . . . 2.4500000000000002 111.947 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.3 p -90.47 41.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.033 0.444 . . . . 2.2000000000000002 110.644 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' HA2' ' A' ' 13' ' ' GLY . . . -49.31 -75.9 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.885 -0.598 . . . . 2.5499999999999998 112.031 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -94.04 36.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.428 -0.351 . . . . 3.77 111.215 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.412 HG22 ' CD2' ' A' ' 1' ' ' PHE . 60.7 t -106.75 -86.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.524 -0.307 . . . . 1.6499999999999999 111.377 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -150.86 37.89 0.65 Allowed 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.04 -0.264 . . . . 2.8999999999999999 111.613 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.41 -44.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.4 0.519 . . . . 2.2000000000000002 112.4 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 8' ' ' ALA . . . 116.57 175.57 17.72 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.415 -0.898 . . . . 2.6699999999999999 112.865 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.36 55.38 4.64 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.554 2.17 . . . . 2.6800000000000002 112.568 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -150.27 -31.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 3.7400000000000002 111.605 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -89.75 132.15 37.52 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.762 -0.199 . . . . 4.2699999999999996 110.961 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -82.88 134.08 7.05 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.643 2.229 . . . . 2.6200000000000001 112.495 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 76.5 m -121.81 176.06 5.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 2.8500000000000001 110.887 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -89.91 122.67 33.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 6.4699999999999998 110.847 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -93.21 125.42 37.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 3.46 110.954 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.9 m -89.94 -29.68 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 2.48 111.026 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.25 -125.71 0.79 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 1.1399999999999999 112.398 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 3.2999999999999998 110.796 179.938 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.4 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.05 0.452 . . . . 1.72 109.902 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 56.0 m -98.35 109.18 21.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.825 -0.625 . . . . 1.98 111.197 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -144.17 119.86 10.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 2.0099999999999998 110.956 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.6 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.262 -0.875 . . . . 2.8399999999999999 110.878 179.815 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.439 ' CE2' HG11 ' A' ' 10' ' ' VAL . 46.5 p90 . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.92 0.391 . . . . 1.9099999999999999 110.949 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -90.14 152.77 20.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 3.8799999999999999 110.975 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.447 ' SG ' HG21 ' A' ' 10' ' ' VAL . 7.5 m -141.38 144.74 35.16 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.238 -0.437 . . . . 1.7 110.707 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.453 ' HB2' ' CE2' ' A' ' 5' ' ' PHE . 73.1 Cg_endo -77.93 -47.11 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.576 2.184 . . . . 1.45 112.511 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -150.21 -48.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.05 -0.523 . . . . 2.6000000000000001 110.424 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -108.82 -127.94 5.63 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.896 -0.668 . . . . 2.4500000000000002 111.664 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.538 ' O ' HG23 ' A' ' 10' ' ' VAL . 91.5 m -90.11 -78.1 0.38 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.914 0.388 . . . . 2.2000000000000002 110.804 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 7' ' ' CYS . . . 68.92 75.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.051 -0.522 . . . . 2.5499999999999998 110.498 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 22.8 tp 69.77 30.1 3.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.014 -0.539 . . . . 3.77 110.679 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 7' ' ' CYS . 54.9 t -109.87 -79.55 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.44 . . . . 1.6499999999999999 111.472 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 19.9 t70 -150.25 33.57 0.65 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.713 0.264 . . . . 2.8999999999999999 111.713 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 2.0 p 176.31 -25.3 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.411 -0.358 . . . . 2.2000000000000002 111.649 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.78 -176.34 54.09 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.637 -0.792 . . . . 2.6699999999999999 111.412 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.82 61.26 1.76 Allowed 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.242 1.962 . . . . 2.6800000000000002 112.024 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -135.96 -65.69 0.58 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.124 -0.489 . . . . 3.7400000000000002 111.022 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.431 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 7.6 mpt_? -89.99 106.97 16.27 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.413 -0.358 . . . . 4.2699999999999996 110.733 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.15 139.9 36.43 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.515 2.143 . . . . 2.6200000000000001 112.519 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.5 m -112.37 168.66 9.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 2.8500000000000001 110.476 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' A' ' 19' ' ' ARG . 16.6 tpt180 -95.52 127.0 41.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.425 -0.352 . . . . 6.4699999999999998 110.614 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -89.93 137.46 32.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 3.46 111.118 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.0 m -109.06 -25.94 10.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 2.48 111.006 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.21 -139.73 3.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 1.1399999999999999 112.518 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 3.2999999999999998 110.933 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 m . . . . . 0 CA--C 1.523 -0.082 0 CA-C-O 120.842 0.353 . . . . 1.72 110.252 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.3 p -93.25 117.69 30.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 1.98 111.263 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -139.9 107.3 5.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.929 -0.578 . . . . 2.0099999999999998 110.979 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.2 m . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.186 -0.912 . . . . 2.8399999999999999 110.815 179.872 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.462 ' CD1' HG13 ' A' ' 10' ' ' VAL . 48.2 p90 . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.86 0.362 . . . . 1.9099999999999999 110.857 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -90.07 146.24 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 3.8799999999999999 111.063 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.485 ' SG ' HG21 ' A' ' 10' ' ' VAL . 77.8 m -120.93 120.89 29.12 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 1.7 111.029 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 94.4 Cg_endo -85.84 -47.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.637 2.225 . . . . 1.45 112.483 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.438 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.1 m-85 -117.04 -23.58 7.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 2.6000000000000001 110.889 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.96 -128.35 2.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.792 -0.718 . . . . 2.4500000000000002 112.438 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 13' ' ' GLY . 50.7 t -89.86 20.78 3.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.82 0.343 . . . . 2.2000000000000002 110.901 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.476 ' HA ' ' N ' ' A' ' 14' ' ' PRO . . . -50.46 -82.63 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.801 0.334 . . . . 2.5499999999999998 111.444 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.6 tp -95.74 43.51 1.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.013 0.435 . . . . 3.77 109.998 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.485 HG21 ' SG ' ' A' ' 3' ' ' CYS . 49.2 t -109.57 -84.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.056 -0.52 . . . . 1.6499999999999999 111.927 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.483 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.0 t70 -150.7 36.91 0.64 Allowed 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 112.465 0.543 . . . . 2.8999999999999999 112.465 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 8.5 p 178.69 -40.75 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.265 0.468 . . . . 2.2000000000000002 112.265 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 7' ' ' CYS . . . 126.21 175.9 14.32 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 111.41 -0.676 . . . . 2.6699999999999999 111.41 -178.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.476 ' N ' ' HA ' ' A' ' 8' ' ' ALA . 88.4 Cg_endo -80.24 67.46 8.61 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.243 1.962 . . . . 2.6800000000000002 112.201 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -146.29 -32.4 0.34 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.073 -0.512 . . . . 3.7400000000000002 111.924 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.436 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 4.1 mmp_? -89.68 119.25 69.49 Favored Pre-proline 0 C--N 1.332 -0.17 0 CA-C-O 120.54 0.209 . . . . 4.2699999999999996 111.085 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -81.2 124.07 4.72 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.59 2.193 . . . . 2.6200000000000001 112.299 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 72.4 m -113.02 174.02 6.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 2.8500000000000001 110.933 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -97.98 127.04 43.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.951 -0.568 . . . . 6.4699999999999998 110.806 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.99 124.76 35.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 3.46 110.979 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.1 m -102.39 -30.36 11.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 2.48 110.959 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.4 -141.91 3.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 1.1399999999999999 112.465 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 3.2999999999999998 110.908 179.916 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.5 t . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 110.149 -0.315 . . . . 1.72 110.149 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.479 ' SG ' HG21 ' A' ' 10' ' ' VAL . 14.4 p -111.01 102.8 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.49 0.662 . . . . 1.98 111.025 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -122.33 115.54 22.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.655 -0.702 . . . . 2.0099999999999998 111.069 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.33 -0.843 . . . . 2.8399999999999999 110.925 179.752 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.7 p90 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.87 0.367 . . . . 1.9099999999999999 110.937 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -87.94 134.99 33.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.524 . . . . 3.8799999999999999 111.0 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 p -99.17 127.99 33.22 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.28 -0.418 . . . . 1.7 110.899 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.437 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 91.2 Cg_endo -85.17 -21.11 3.16 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.507 2.138 . . . . 1.45 112.349 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.437 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 13.8 m-85 -144.96 -47.63 0.24 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.181 -0.463 . . . . 2.6000000000000001 110.653 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.14 -103.48 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.901 -0.666 . . . . 2.4500000000000002 112.294 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.402 ' HA ' ' CG2' ' A' ' 10' ' ' VAL . 48.8 t -90.22 14.22 13.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.726 0.298 . . . . 2.2000000000000002 111.018 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.421 ' HA ' ' N ' ' A' ' 14' ' ' PRO . . . -51.74 -54.57 26.95 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.902 0.382 . . . . 2.5499999999999998 111.35 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.5 mt -119.26 34.9 5.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.127 -0.488 . . . . 3.77 110.679 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.402 ' CG2' ' HA ' ' A' ' 7' ' ' CYS . 91.6 t -100.39 -86.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 1.6499999999999999 111.44 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -150.65 40.19 0.74 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 111.794 0.294 . . . . 2.8999999999999999 111.794 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.7 p -176.92 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 2.2000000000000002 111.664 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.87 -174.61 15.29 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.859 -0.686 . . . . 2.6699999999999999 111.885 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.421 ' N ' ' HA ' ' A' ' 8' ' ' ALA . 74.5 Cg_endo -74.62 66.09 5.67 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.499 2.133 . . . . 2.6800000000000002 112.299 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -139.53 -54.99 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 3.7400000000000002 111.171 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -89.9 128.85 48.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.407 . . . . 4.2699999999999996 110.94 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -81.5 128.0 5.97 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.467 2.111 . . . . 2.6200000000000001 112.419 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.7 m -104.32 172.29 6.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 2.8500000000000001 110.761 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -98.88 128.95 45.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 6.4699999999999998 111.06 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -98.5 142.47 30.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 3.46 110.773 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 t -115.47 -35.55 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 2.48 111.371 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.64 -136.72 3.61 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.644 -0.789 . . . . 1.1399999999999999 112.583 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 3.2999999999999998 110.934 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.7 m . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.041 0.448 . . . . 1.72 110.171 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.5 m -91.07 113.96 26.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.634 . . . . 1.98 111.007 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -139.36 122.38 16.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 2.0099999999999998 110.948 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.3 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.229 -0.891 . . . . 2.8399999999999999 110.854 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.453 ' CD1' HG13 ' A' ' 10' ' ' VAL . 22.9 p90 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.879 0.371 . . . . 1.9099999999999999 111.035 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -90.16 152.41 21.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 3.8799999999999999 111.087 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.9 t -115.73 101.48 54.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 1.7 111.077 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.432 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 94.2 Cg_endo -80.89 -21.4 6.95 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.433 2.089 . . . . 1.45 112.308 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.432 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 12.2 m-85 -144.62 -64.16 0.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 2.6000000000000001 110.691 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.472 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -152.35 -110.81 0.46 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.891 -0.671 . . . . 2.4500000000000002 112.219 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.2 t -90.09 11.19 21.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.74 0.305 . . . . 2.2000000000000002 111.029 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -62.43 119.19 8.64 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.811 0.339 . . . . 2.5499999999999998 111.085 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 23.4 tp 55.28 24.33 6.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 3.77 110.862 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.472 HG21 ' O ' ' A' ' 6' ' ' GLY . 67.0 t -99.93 -74.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.425 . . . . 1.6499999999999999 111.023 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.8 t70 -150.11 31.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 2.8999999999999999 111.258 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 7.7 p 177.03 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 2.2000000000000002 111.102 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.9 176.65 15.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.962 -0.637 . . . . 2.6699999999999999 111.861 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.464 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 73.1 Cg_endo -72.84 70.43 3.54 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.504 2.136 . . . . 2.6800000000000002 112.43 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -147.06 -52.72 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 3.7400000000000002 111.472 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.432 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 38.0 ttm180 -90.12 141.69 28.05 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.456 -0.338 . . . . 4.2699999999999996 111.024 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 16' ' ' ARG . 86.6 Cg_endo -79.18 157.65 26.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.354 2.036 . . . . 2.6200000000000001 112.232 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.9 m -138.9 171.62 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.428 . . . . 2.8500000000000001 110.825 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.458 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 8.5 mpt_? -89.94 119.87 30.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 6.4699999999999998 110.87 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -90.09 109.68 20.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 3.46 110.822 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.4 m -90.0 -29.26 18.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 2.48 110.909 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.49 -144.78 4.06 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.82 -0.705 . . . . 1.1399999999999999 112.456 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.693 0.282 . . . . 3.2999999999999998 110.975 179.883 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.967 0.413 . . . . 1.72 109.983 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.2 m -89.75 119.83 30.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.916 -0.584 . . . . 1.98 111.217 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -94.64 102.08 13.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.764 -0.653 . . . . 2.0099999999999998 110.451 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.249 -0.882 . . . . 2.8399999999999999 110.974 -179.655 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.1 p90 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.787 0.327 . . . . 1.9099999999999999 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -59.97 118.39 6.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 3.8799999999999999 110.89 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.69 120.14 56.64 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 1.7 111.005 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.43 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 73.7 Cg_endo -75.89 -18.71 16.66 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.416 2.078 . . . . 1.45 112.454 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 30.3 m-85 -138.76 -67.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.355 . . . . 2.6000000000000001 110.943 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -172.05 -97.03 0.1 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 2.4500000000000002 112.48 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.2 t -90.11 12.67 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 2.2000000000000002 110.981 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -60.94 117.77 5.88 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.865 0.364 . . . . 2.5499999999999998 111.156 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.1 mt 56.23 23.26 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 3.77 111.107 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.9 t -97.62 -74.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.37 . . . . 1.6499999999999999 110.933 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.2 t70 -150.28 31.65 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.838 0.351 . . . . 2.8999999999999999 111.244 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 8.7 p 178.52 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 2.2000000000000002 111.255 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.59 179.01 15.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.96 -0.638 . . . . 2.6699999999999999 112.1 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 98.1 Cg_endo -76.77 71.53 6.06 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.685 2.257 . . . . 2.6800000000000002 112.525 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -149.91 -52.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.383 -0.372 . . . . 3.7400000000000002 111.46 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -93.35 154.17 41.41 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.425 -0.352 . . . . 4.2699999999999996 111.174 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -87.67 155.02 7.57 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.868 2.379 . . . . 2.6200000000000001 112.572 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.7 m -119.05 175.06 5.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 2.8500000000000001 110.805 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -89.8 83.39 6.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.986 -0.552 . . . . 6.4699999999999998 110.612 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.476 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 4.6 p-10 -105.79 142.45 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 3.46 111.282 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.9 m -89.86 -25.01 21.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 2.48 110.34 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.12 -170.87 12.13 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.819 -0.628 . . . . 1.1399999999999999 111.814 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.76 0.314 . . . . 3.2999999999999998 111.313 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.915 0.388 . . . . 1.72 110.437 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.476 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 34.7 m -96.5 112.36 24.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.167 -0.469 . . . . 1.98 111.186 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -133.36 110.35 9.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 2.0099999999999998 110.995 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.7 m . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.225 -0.893 . . . . 2.8399999999999999 110.814 179.872 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.501 ' CE2' HG13 ' A' ' 10' ' ' VAL . 43.6 p90 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.906 0.384 . . . . 1.9099999999999999 110.995 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -89.95 132.72 35.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 3.8799999999999999 111.075 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -101.96 129.99 25.31 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 1.7 110.838 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.44 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 89.6 Cg_endo -86.69 -21.84 2.12 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.67 2.247 . . . . 1.45 112.597 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.44 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.2 m-85 -142.36 -48.08 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.397 . . . . 2.6000000000000001 110.799 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.428 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -178.14 -111.78 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.846 -0.692 . . . . 2.4500000000000002 112.323 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.6 t -90.35 17.46 7.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 2.2000000000000002 111.169 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -67.31 118.05 10.16 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.822 0.344 . . . . 2.5499999999999998 111.154 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.475 ' N ' HD22 ' A' ' 9' ' ' LEU . 3.4 mm? 54.75 25.43 6.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 3.77 111.003 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.501 HG13 ' CE2' ' A' ' 1' ' ' PHE . 54.5 t -100.4 -73.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 1.6499999999999999 111.071 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 16.0 m-20 -150.0 31.17 0.7 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.497 -0.319 . . . . 2.8999999999999999 111.367 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 5.7 p 175.58 -36.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 2.2000000000000002 111.284 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.18 174.76 17.71 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 111.555 -0.618 . . . . 2.6699999999999999 111.555 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 71.4 Cg_endo -73.86 65.0 4.98 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.325 2.017 . . . . 2.6800000000000002 112.221 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -141.85 -49.38 0.39 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.373 -0.376 . . . . 3.7400000000000002 111.703 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 67.1 mtp180 -89.78 124.09 64.71 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.731 -0.213 . . . . 4.2699999999999996 111.32 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 14.4 Cg_exo -69.07 134.08 28.5 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.463 2.108 . . . . 2.6200000000000001 111.996 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.6 m -119.01 174.51 6.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 2.8500000000000001 110.774 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -89.92 121.76 32.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 6.4699999999999998 111.277 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -97.41 143.58 28.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 3.46 110.756 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.3 m -100.21 -28.05 13.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 2.48 111.105 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.54 -112.11 0.38 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 1.1399999999999999 112.522 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 3.2999999999999998 110.874 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 121.108 0.48 . . . . 1.72 110.081 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.6 m -90.01 117.05 28.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.732 -0.667 . . . . 1.98 111.318 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -113.68 129.89 56.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.93 -0.577 . . . . 2.0099999999999998 110.262 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.303 -0.856 . . . . 2.8399999999999999 110.896 -179.453 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.405 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 32.6 p90 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.981 0.42 . . . . 1.9099999999999999 110.968 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -90.24 148.56 22.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 3.8799999999999999 111.156 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.0 m -138.72 125.89 13.17 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 1.7 110.459 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.434 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 83.0 Cg_endo -81.67 -37.47 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.531 2.154 . . . . 1.45 113.0 -179.471 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.434 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.2 m-85 -128.95 -69.84 0.69 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.843 0.354 . . . . 2.6000000000000001 111.042 -179.676 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -125.27 -148.27 7.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 2.4500000000000002 112.313 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.6 p -90.36 39.58 0.98 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.719 0.295 . . . . 2.2000000000000002 111.035 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.45 109.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.391 -0.368 . . . . 2.5499999999999998 110.973 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 25.4 tp 60.96 29.72 19.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 3.77 110.433 -179.627 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.4 t -110.33 -69.66 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 1.6499999999999999 111.048 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -150.16 27.55 0.76 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.751 0.31 . . . . 2.8999999999999999 111.532 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HB3' ' NH2' ' A' ' 16' ' ' ARG . 1.6 p 168.22 38.57 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.067 -0.515 . . . . 2.2000000000000002 111.762 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.87 179.89 0.01 OUTLIER Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.226 -0.511 . . . . 2.6699999999999999 113.34 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -83.25 58.11 6.08 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.737 2.291 . . . . 2.6800000000000002 112.286 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -131.57 -53.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 3.7400000000000002 111.228 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' NH2' ' HB3' ' A' ' 12' ' ' CYS . 86.9 mtm180 -90.04 108.43 26.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 4.2699999999999996 111.056 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.05 154.77 29.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.616 2.21 . . . . 2.6200000000000001 112.468 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 78.5 m -121.76 174.93 6.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 2.8500000000000001 110.909 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -91.19 127.43 36.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 6.4699999999999998 110.8 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -89.89 131.07 36.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 3.46 110.918 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.8 m -111.52 -27.54 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 2.48 111.319 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.77 -140.41 4.33 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.585 -0.816 . . . . 1.1399999999999999 112.545 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 3.2999999999999998 110.871 -179.976 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.758 0.313 . . . . 1.72 110.285 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 29.0 p -105.64 108.13 19.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.154 0.502 . . . . 1.98 111.034 -179.444 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -131.32 107.19 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 2.0099999999999998 110.977 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.261 -0.876 . . . . 2.8399999999999999 110.828 -179.943 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.411 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 12.0 p90 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.914 0.388 . . . . 1.9099999999999999 110.933 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -90.13 142.97 27.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 3.8799999999999999 110.979 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.0 m -131.36 112.49 15.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 1.7 110.715 179.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.446 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 98.3 Cg_endo -87.11 -24.71 1.24 Allowed 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.725 2.283 . . . . 1.45 113.042 -179.563 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.446 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 26.5 m-85 -135.61 29.16 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.795 0.331 . . . . 2.6000000000000001 111.303 -179.6 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.51 -120.64 5.72 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.643 -0.789 . . . . 2.4500000000000002 112.723 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.1 t -86.52 35.89 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.301 . . . . 2.2000000000000002 111.295 -179.454 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.29 96.55 1.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 2.5499999999999998 110.964 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.9 mt 57.31 30.15 18.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 3.77 110.588 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 36.8 t -103.84 -52.65 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 1.6499999999999999 111.442 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 21.3 t70 -149.89 30.99 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.978 -0.289 . . . . 2.8999999999999999 111.768 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 17.2 p 173.74 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.243 -0.435 . . . . 2.2000000000000002 111.389 179.72 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.11 159.56 9.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.871 -0.681 . . . . 2.6699999999999999 111.746 -179.204 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.78 58.93 1.6 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.37 2.046 . . . . 2.6800000000000002 112.605 -179.69 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -150.2 22.39 0.85 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.481 . . . . 3.7400000000000002 111.114 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -143.55 138.64 15.55 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.665 -0.243 . . . . 4.2699999999999996 111.159 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -81.43 115.15 2.84 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.628 2.219 . . . . 2.6200000000000001 112.269 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.57 172.47 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 2.8500000000000001 110.834 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -100.73 108.48 20.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 6.4699999999999998 111.049 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -94.3 105.71 17.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 3.46 110.765 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.7 m -94.05 -28.98 15.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 2.48 111.263 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.06 -151.61 6.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.628 -0.796 . . . . 1.1399999999999999 112.658 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 120.828 0.346 . . . . 3.2999999999999998 110.859 -179.97 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 120.887 0.375 . . . . 1.72 110.398 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.7 p -89.93 118.43 29.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.082 -0.508 . . . . 1.98 111.138 -179.39 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -117.48 98.94 6.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.951 -0.568 . . . . 2.0099999999999998 110.744 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.225 -0.893 . . . . 2.8399999999999999 110.894 -179.952 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.452 ' CE1' HG11 ' A' ' 10' ' ' VAL . 50.9 p90 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.9 0.381 . . . . 1.9099999999999999 110.893 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -84.79 125.74 32.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 3.8799999999999999 111.183 -179.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.7 p -94.64 120.87 64.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 1.7 110.888 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.443 ' HB2' ' CE2' ' A' ' 5' ' ' PHE . 97.2 Cg_endo -86.52 -28.85 0.54 Allowed 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.474 2.116 . . . . 1.45 112.363 179.803 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 4' ' ' PRO . 2.1 m-85 -150.16 29.12 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 2.6000000000000001 110.697 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.507 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 98.83 -118.25 6.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 2.4500000000000002 112.179 -179.623 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -90.22 14.39 12.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.664 0.268 . . . . 2.2000000000000002 111.077 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -58.81 113.03 1.86 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.826 0.346 . . . . 2.5499999999999998 111.09 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 9' ' ' LEU . 3.3 mm? 49.91 27.67 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 3.77 111.084 -179.62 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 8' ' ' ALA . 51.7 t -98.76 -68.45 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 1.6499999999999999 111.244 -179.734 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.535 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.0 t70 -149.78 30.85 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.477 -0.328 . . . . 2.8999999999999999 111.454 -179.712 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.535 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 11.4 p 173.96 -36.0 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.167 -0.47 . . . . 2.2000000000000002 111.489 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.54 167.32 13.37 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.961 -0.638 . . . . 2.6699999999999999 111.604 -178.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.473 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 74.2 Cg_endo -75.51 68.66 6.12 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.379 2.052 . . . . 2.6800000000000002 112.334 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -150.15 -34.54 0.17 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.302 -0.408 . . . . 3.7400000000000002 111.786 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.0 mmp_? -89.83 127.95 52.1 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.486 0.184 . . . . 4.2699999999999996 110.729 -179.563 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 32.1 Cg_exo -58.05 163.59 9.52 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.238 1.959 . . . . 2.6200000000000001 111.894 179.735 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.5 m -147.67 174.25 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.354 -0.385 . . . . 2.8500000000000001 111.119 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -99.93 96.59 7.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 6.4699999999999998 110.704 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -89.91 89.83 7.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 3.46 110.708 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.9 m -89.93 -27.45 19.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 2.48 111.168 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.28 -165.81 10.39 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.66 -0.781 . . . . 1.1399999999999999 112.435 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 120.9 0.381 . . . . 3.2999999999999998 110.909 179.949 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.7 m . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.984 0.421 . . . . 1.72 110.502 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.3 m -93.87 110.88 22.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.013 -0.54 . . . . 1.98 111.209 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -92.71 90.0 6.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 2.0099999999999998 110.414 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.262 -0.875 . . . . 2.8399999999999999 110.944 -179.495 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.4 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 37.7 p90 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.849 0.357 . . . . 1.9099999999999999 110.869 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -89.78 150.68 22.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 3.8799999999999999 111.221 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.0 t -113.87 109.86 49.66 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.956 -0.565 . . . . 1.7 111.066 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 86.5 Cg_endo -84.42 -20.62 3.92 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.516 2.144 . . . . 1.45 112.331 179.71 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.438 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.2 m-85 -143.75 -59.27 0.4 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.258 -0.428 . . . . 2.6000000000000001 110.76 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.409 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -164.42 -112.68 0.27 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.948 -0.644 . . . . 2.4500000000000002 112.326 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.2 t -90.21 18.67 5.74 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.823 0.344 . . . . 2.2000000000000002 110.887 179.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -67.96 117.96 10.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.896 0.379 . . . . 2.5499999999999998 111.19 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 23.2 tp 55.98 23.43 6.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 3.77 110.857 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 6' ' ' GLY . 49.0 t -98.24 -74.23 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 1.6499999999999999 110.96 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 20.2 m-20 -150.25 31.39 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.729 0.3 . . . . 2.8999999999999999 111.431 179.839 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 6.2 p 177.1 -37.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.107 -0.497 . . . . 2.2000000000000002 111.262 179.845 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.63 172.66 14.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.895 -0.669 . . . . 2.6699999999999999 111.883 -179.106 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.538 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 62.5 Cg_endo -71.27 70.35 2.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.516 2.144 . . . . 2.6800000000000002 112.351 -179.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -147.33 -46.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 3.7400000000000002 111.595 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 78.3 mtp180 -92.74 128.52 43.63 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.579 -0.282 . . . . 4.2699999999999996 111.257 -179.472 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 25.2 Cg_exo -63.14 168.88 10.1 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.383 2.055 . . . . 2.6200000000000001 112.03 179.466 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.518 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 7.9 m -145.46 171.86 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 2.8500000000000001 110.867 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -89.97 115.57 27.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 6.4699999999999998 110.732 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -89.78 100.47 13.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 3.46 110.938 -179.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -90.06 -29.31 18.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 2.48 111.011 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.37 -144.77 4.0 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.801 -0.714 . . . . 1.1399999999999999 112.457 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 3.2999999999999998 110.88 -179.946 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.917 0.389 . . . . 1.72 110.312 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.415 ' HB3' ' CB ' ' A' ' 18' ' ' CYS . 56.3 m -89.87 111.54 22.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.033 -0.531 . . . . 1.98 111.225 -179.293 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -105.07 91.57 3.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 2.0099999999999998 111.099 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.233 -0.889 . . . . 2.8399999999999999 110.93 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.506 ' CZ ' HG13 ' A' ' 10' ' ' VAL . 37.7 p90 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.986 0.422 . . . . 1.9099999999999999 110.973 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.416 ' HB2' ' HB2' ' A' ' 24' ' ' SME . 42.7 p90 -57.23 125.27 22.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.973 -0.558 . . . . 3.8799999999999999 111.344 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.5 p -96.54 159.61 31.42 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.16 -0.473 . . . . 1.7 110.723 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.554 ' HG2' ' HB3' ' A' ' 8' ' ' ALA . 52.7 Cg_endo -87.5 -69.26 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.741 0 C-N-CA 122.618 2.212 . . . . 1.45 112.653 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.411 ' CD2' ' HB2' ' A' ' 4' ' ' PRO . 0.5 OUTLIER -150.42 25.74 0.78 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.49 -0.323 . . . . 2.6000000000000001 111.183 -179.648 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.463 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 151.95 -136.05 5.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.599 -0.81 . . . . 2.4500000000000002 112.547 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.1 t -90.21 14.66 12.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.607 0.241 . . . . 2.2000000000000002 111.175 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.687 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -68.17 119.56 12.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.837 0.351 . . . . 2.5499999999999998 111.07 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 9' ' ' LEU . 5.6 mp 56.82 25.02 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 3.77 110.855 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.506 HG13 ' CZ ' ' A' ' 1' ' ' PHE . 57.5 t -102.26 -74.37 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 1.6499999999999999 111.022 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.456 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.5 t70 -150.18 31.23 0.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 2.8999999999999999 111.311 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 5.4 p 177.3 -39.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.025 -0.534 . . . . 2.2000000000000002 111.171 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.89 173.45 14.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.925 -0.655 . . . . 2.6699999999999999 111.851 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.687 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 68.6 Cg_endo -72.42 69.18 3.42 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.462 2.108 . . . . 2.6800000000000002 112.261 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -145.1 -52.57 0.28 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 3.7400000000000002 111.149 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -89.98 142.9 29.23 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.36 -0.382 . . . . 4.2699999999999996 110.777 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -80.67 156.12 21.16 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.574 2.183 . . . . 2.6200000000000001 112.321 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.0 m -135.12 172.65 12.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.269 -0.423 . . . . 2.8500000000000001 110.924 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -89.76 97.82 11.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 6.4699999999999998 111.158 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -107.43 108.45 19.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 3.46 110.755 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 47.2 m -106.27 -26.13 11.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 2.48 111.359 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -127.47 153.44 19.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.635 -0.793 . . . . 1.1399999999999999 112.614 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.8 116.28 1.57 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.784 0.326 . . . . 3.2999999999999998 110.961 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . 0.416 ' HB2' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.3 m -150.47 61.92 0.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.023 -0.535 . . . . 1.72 110.228 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 79.5 m -89.83 115.24 27.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.914 -0.585 . . . . 1.98 111.223 -179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -103.77 112.22 25.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.002 -0.544 . . . . 2.0099999999999998 110.468 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.293 -0.861 . . . . 2.8399999999999999 110.984 -179.559 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 39.4 p90 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.96 0.41 . . . . 1.9099999999999999 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.453 ' HB2' ' HB3' ' A' ' 24' ' ' SME . 45.1 p90 -86.2 144.97 27.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.948 -0.569 . . . . 3.8799999999999999 111.261 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.6 p -101.32 146.8 32.82 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 1.7 110.883 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.422 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 90.2 Cg_endo -88.25 -17.23 2.46 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.792 2.328 . . . . 1.45 112.793 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.422 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 22.2 m-85 -146.07 -67.01 0.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.821 0.343 . . . . 2.6000000000000001 110.915 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.546 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -153.2 -118.79 0.73 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.811 -0.709 . . . . 2.4500000000000002 112.44 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 51.1 t -78.95 0.41 27.57 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.569 0.224 . . . . 2.2000000000000002 111.272 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -54.02 120.89 7.0 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-O 120.805 0.336 . . . . 2.5499999999999998 111.284 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt 55.26 23.91 5.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 3.77 111.026 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.546 HG21 ' O ' ' A' ' 6' ' ' GLY . 52.4 t -102.72 -72.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.302 -0.408 . . . . 1.6499999999999999 111.037 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.489 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 39.6 m-20 -150.09 31.62 0.68 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.567 -0.288 . . . . 2.8999999999999999 111.526 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.489 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 11.9 p 176.04 -38.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.203 -0.453 . . . . 2.2000000000000002 111.318 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 115.58 174.02 17.71 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.031 -0.604 . . . . 2.6699999999999999 111.592 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.46 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 61.3 Cg_endo -72.58 65.08 3.81 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.333 2.022 . . . . 2.6800000000000002 112.124 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -146.14 -50.89 0.23 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.289 -0.414 . . . . 3.7400000000000002 111.523 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 -94.88 150.73 38.25 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-O 120.715 0.293 . . . . 4.2699999999999996 110.784 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -74.23 149.65 40.92 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.392 2.061 . . . . 2.6200000000000001 112.4 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.433 ' SG ' ' N ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -126.4 173.75 9.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 2.8500000000000001 110.635 -179.793 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.72 93.95 5.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.258 -0.428 . . . . 6.4699999999999998 110.751 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 4.6 p30 -118.92 138.59 52.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.071 -0.513 . . . . 3.46 111.144 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.1 m -89.83 -25.83 20.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 2.48 110.716 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.4 -169.93 11.74 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.958 -0.639 . . . . 1.1399999999999999 112.072 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -90.35 45.34 1.26 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.845 0.355 . . . . 3.2999999999999998 111.067 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . 0.453 ' HB3' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.0 m -150.83 63.43 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.832 0.348 . . . . 1.72 110.741 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.406 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 92.8 m -89.87 116.05 27.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.118 0.485 . . . . 1.98 111.221 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -135.02 110.79 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.78 -0.645 . . . . 2.0099999999999998 110.551 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.433 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 54.3 m . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.194 -0.908 . . . . 2.8399999999999999 110.799 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.4 ' CZ ' ' OD2' ' A' ' 27' ' ' ASP . 30.6 p90 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.949 0.404 . . . . 1.9099999999999999 111.043 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.419 ' HB2' ' HB2' ' A' ' 24' ' ' SME . 36.1 p90 -82.42 144.18 30.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.052 -0.522 . . . . 3.8799999999999999 111.16 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.2 p -106.59 117.39 57.07 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 1.7 110.944 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 97.4 Cg_endo -86.25 -22.57 2.14 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 122.409 2.072 . . . . 1.45 112.378 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.442 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.0 m-85 -149.98 22.95 0.86 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.413 -0.358 . . . . 2.6000000000000001 111.161 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.13 -108.34 3.33 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.663 -0.78 . . . . 2.4500000000000002 112.706 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' HA ' ' CG2' ' A' ' 10' ' ' VAL . 48.9 t -89.34 11.72 18.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.63 0.253 . . . . 2.2000000000000002 111.173 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.404 ' HA ' ' N ' ' A' ' 14' ' ' PRO . . . -54.29 -43.05 70.75 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.835 0.35 . . . . 2.5499999999999998 111.559 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.99 33.59 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 3.77 110.812 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 7' ' ' CYS . 83.5 t -102.49 -87.8 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.358 -0.383 . . . . 1.6499999999999999 111.403 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -150.62 41.06 0.77 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.638 0.256 . . . . 2.8999999999999999 111.545 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.6 p -175.79 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.919 0.39 . . . . 2.2000000000000002 111.626 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 112.77 -173.84 15.54 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.946 -0.645 . . . . 2.6699999999999999 111.784 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.404 ' N ' ' HA ' ' A' ' 8' ' ' ALA . 67.0 Cg_endo -72.96 67.16 4.05 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.372 2.048 . . . . 2.6800000000000002 112.339 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -143.67 -54.01 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 3.7400000000000002 111.103 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -89.91 134.69 31.43 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.482 -0.327 . . . . 4.2699999999999996 110.853 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -84.08 123.42 3.12 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.678 2.252 . . . . 2.6200000000000001 112.423 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 72.0 m -98.59 172.14 7.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 2.8500000000000001 110.88 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -90.61 120.53 31.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 6.4699999999999998 110.874 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -101.1 112.93 25.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 3.46 110.861 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.5 m -91.93 -31.17 15.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 2.48 110.913 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -138.39 -153.25 6.17 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.83 -0.7 . . . . 1.1399999999999999 112.32 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -90.1 117.37 28.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 3.2999999999999998 110.843 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . 0.419 ' HB2' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 80.0 p -150.88 61.91 0.92 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.97 -0.559 . . . . 1.72 110.261 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 57.1 m -91.63 115.42 28.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.035 -0.529 . . . . 1.98 110.961 -179.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' OD2' ' CZ ' ' A' ' 1' ' ' PHE . 7.4 m-20 -127.83 125.37 39.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.053 -0.521 . . . . 2.0099999999999998 111.108 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.25 -0.881 . . . . 2.8399999999999999 110.879 179.796 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 29.7 p90 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.937 0.398 . . . . 1.9099999999999999 110.845 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.449 ' HB3' ' HB2' ' A' ' 24' ' ' SME . 41.5 m-85 -90.05 146.82 24.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.01 -0.541 . . . . 3.8799999999999999 110.96 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.519 ' HB2' ' O ' ' A' ' 6' ' ' GLY . 30.9 p -113.23 111.53 50.06 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.4 -0.364 . . . . 1.7 111.055 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.43 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 91.2 Cg_endo -87.71 -24.4 1.13 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.673 2.248 . . . . 1.45 112.875 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 4.3 m-85 -150.05 49.44 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.772 0.32 . . . . 2.6000000000000001 110.841 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . 93.17 -152.03 20.72 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.729 -0.748 . . . . 2.4500000000000002 111.964 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.4 p -89.54 39.3 0.94 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.899 0.38 . . . . 2.2000000000000002 111.0 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -65.45 124.15 21.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.162 -0.472 . . . . 2.5499999999999998 110.517 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 28.1 tp 63.96 16.09 9.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.331 -0.395 . . . . 3.77 110.5 -179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 86.3 t -101.12 -80.67 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.449 -0.341 . . . . 1.6499999999999999 110.765 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -150.5 30.34 0.68 Allowed 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 120.848 0.356 . . . . 2.8999999999999999 111.173 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.6 p 171.97 30.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.193 -0.458 . . . . 2.2000000000000002 112.13 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 44.56 -171.05 0.01 OUTLIER Glycine 0 C--N 1.334 0.43 0 C-N-CA 121.099 -0.572 . . . . 2.6699999999999999 113.33 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.459 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 98.4 Cg_endo -87.17 55.04 2.97 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.693 2.262 . . . . 2.6800000000000002 112.386 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -150.08 23.61 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 3.7400000000000002 111.37 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -150.1 124.02 4.52 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.574 -0.284 . . . . 4.2699999999999996 110.926 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.66 144.91 15.93 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.54 2.16 . . . . 2.6200000000000001 112.641 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 86.9 m -125.53 172.8 9.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.519 . . . . 2.8500000000000001 110.683 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -90.39 103.37 16.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 6.4699999999999998 110.883 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.89 141.86 28.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 3.46 110.978 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.7 t -105.92 -25.55 12.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 2.48 111.281 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -145.58 -140.99 3.6 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.633 -0.794 . . . . 1.1399999999999999 112.6 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -90.03 111.18 22.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 3.2999999999999998 110.841 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . 0.449 ' HB2' ' HB3' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.6 p -150.33 63.52 0.96 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.686 -0.688 . . . . 1.72 109.436 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.3 m -89.98 119.6 30.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.527 -0.761 . . . . 1.98 111.412 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -142.05 113.81 7.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.882 -0.599 . . . . 2.0099999999999998 110.794 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.3 m . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.278 -0.868 . . . . 2.8399999999999999 110.853 179.846 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.484 ' CE2' HG13 ' A' ' 10' ' ' VAL . 27.0 p90 . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.966 0.413 . . . . 1.9099999999999999 110.99 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.472 ' HB3' ' HB2' ' A' ' 24' ' ' SME . 81.8 m-85 -89.96 139.25 30.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.533 . . . . 3.8799999999999999 110.995 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.9 p -106.79 122.81 40.54 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.535 -0.302 . . . . 1.7 111.019 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.447 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 90.6 Cg_endo -83.82 -32.62 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.574 2.182 . . . . 1.45 112.434 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.447 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.3 m-85 -135.73 -65.6 0.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 2.6000000000000001 110.635 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.63 -136.85 3.42 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.029 -0.605 . . . . 2.4500000000000002 112.004 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.5 p -90.46 41.63 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.006 0.431 . . . . 2.2000000000000002 110.805 179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -52.95 -26.22 14.41 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.975 -0.557 . . . . 2.5499999999999998 111.584 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 29.1 tp -148.05 41.14 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.402 -0.363 . . . . 3.77 111.04 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.484 HG13 ' CE2' ' A' ' 1' ' ' PHE . 19.1 t -118.77 -77.33 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.633 -0.258 . . . . 1.6499999999999999 111.464 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -150.44 37.0 0.66 Allowed 'General case' 0 C--O 1.231 0.09 0 N-CA-C 112.193 0.442 . . . . 2.8999999999999999 112.193 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.5 p 173.62 27.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.432 0.531 . . . . 2.2000000000000002 112.432 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 41.31 -164.95 0.01 OUTLIER Glycine 0 CA--C 1.521 0.457 0 C-N-CA 121.135 -0.555 . . . . 2.6699999999999999 113.351 179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_endo -86.21 67.27 5.03 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.726 2.284 . . . . 2.6800000000000002 112.428 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -146.24 -46.34 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.353 -0.385 . . . . 3.7400000000000002 111.264 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -96.44 148.68 34.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.359 -0.382 . . . . 4.2699999999999996 110.89 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.5 168.49 24.21 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.467 2.112 . . . . 2.6200000000000001 112.192 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -141.61 172.22 12.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 2.8500000000000001 110.741 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.9 tpt180 -100.66 121.4 41.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 6.4699999999999998 110.844 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -89.98 134.26 34.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 3.46 110.955 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.9 m -113.54 -33.49 5.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 2.48 110.974 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -157.34 -134.43 1.75 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.823 -0.703 . . . . 1.1399999999999999 112.524 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.02 104.1 16.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 3.2999999999999998 110.939 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . 0.472 ' HB2' ' HB3' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 78.3 p -150.73 64.67 0.93 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.828 -0.624 . . . . 1.72 109.873 -179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.417 ' HB3' ' HB3' ' A' ' 18' ' ' CYS . 86.1 m -89.8 117.75 28.88 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.807 -0.633 . . . . 1.98 111.283 -178.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -122.91 114.14 20.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.969 -0.56 . . . . 2.0099999999999998 110.743 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.412 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 50.6 m . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.231 -0.89 . . . . 2.8399999999999999 110.888 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.446 ' CE1' HG22 ' A' ' 10' ' ' VAL . 23.6 p90 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.972 0.415 . . . . 1.9099999999999999 110.998 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.466 ' HB2' ' HB2' ' A' ' 24' ' ' SME . 51.8 p90 -89.99 138.09 31.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.016 -0.538 . . . . 3.8799999999999999 111.151 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.1 p -103.71 126.79 30.98 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.383 -0.371 . . . . 1.7 110.825 179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.45 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 83.3 Cg_endo -82.55 -23.81 3.88 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.576 2.184 . . . . 1.45 112.384 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.45 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.0 m-85 -139.64 -56.68 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 2.6000000000000001 110.555 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.23 -104.3 0.19 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.979 -0.629 . . . . 2.4500000000000002 112.257 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 12' ' ' CYS . 41.8 t -90.41 39.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 2.2000000000000002 110.87 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -46.69 -59.61 2.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.448 -0.342 . . . . 2.5499999999999998 111.543 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.3 mt -138.79 50.82 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 3.77 110.791 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.446 HG22 ' CE1' ' A' ' 1' ' ' PHE . 62.9 t -103.03 -88.16 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-N 116.237 -0.438 . . . . 1.6499999999999999 111.503 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -150.56 38.42 0.69 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.75 0.31 . . . . 2.8999999999999999 110.943 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' N ' ' SG ' ' A' ' 7' ' ' CYS . 1.7 p -176.8 21.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.326 0.491 . . . . 2.2000000000000002 112.326 -179.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.16 -175.18 0.02 OUTLIER Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.597 -0.811 . . . . 2.6699999999999999 112.52 -179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.6 59.77 6.35 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.416 2.077 . . . . 2.6800000000000002 112.21 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -135.41 -56.17 0.8 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.235 -0.438 . . . . 3.7400000000000002 111.183 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 54.2 mmm-85 -89.76 134.26 32.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.402 -0.363 . . . . 4.2699999999999996 110.839 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -81.57 148.1 15.95 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.624 2.216 . . . . 2.6200000000000001 112.649 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 78.4 m -122.13 168.99 11.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.086 -0.506 . . . . 2.8500000000000001 110.82 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.8 125.11 44.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 6.4699999999999998 111.0 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -116.49 142.27 47.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.041 -0.527 . . . . 3.46 110.756 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.0 m -113.22 -18.4 12.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.406 -0.361 . . . . 2.48 111.619 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.61 -156.79 8.73 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.459 -0.877 . . . . 1.1399999999999999 112.699 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -84.15 105.59 15.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 3.2999999999999998 110.649 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . 0.466 ' HB2' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 m -150.31 62.59 0.96 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.807 -0.633 . . . . 1.72 109.678 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 67.0 m -89.85 118.02 29.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.584 -0.734 . . . . 1.98 111.149 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -137.6 121.59 17.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 2.0099999999999998 111.038 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 21.2 m . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.219 -0.896 . . . . 2.8399999999999999 110.787 179.675 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.417 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 19.6 p90 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.954 0.407 . . . . 1.9099999999999999 110.992 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -90.3 145.83 24.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.997 -0.547 . . . . 3.8799999999999999 111.198 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -139.98 129.56 13.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.083 -0.508 . . . . 1.7 110.114 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.63 -46.57 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.506 2.138 . . . . 1.45 113.173 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -127.98 -68.79 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.884 0.373 . . . . 2.6000000000000001 110.525 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -108.24 -114.44 3.78 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.771 -0.728 . . . . 2.4500000000000002 111.832 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.536 ' O ' HG23 ' A' ' 10' ' ' VAL . 94.1 m -89.17 -74.86 0.46 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.926 0.393 . . . . 2.2000000000000002 110.711 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 7' ' ' CYS . . . 71.98 72.48 0.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.859 -0.609 . . . . 2.5499999999999998 110.439 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.7 mt 67.37 31.79 6.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.878 -0.601 . . . . 3.77 110.868 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 7' ' ' CYS . 59.5 t -108.49 -75.87 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.203 -0.453 . . . . 1.6499999999999999 111.339 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.496 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 20.2 t70 -150.26 33.99 0.65 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.756 0.28 . . . . 2.8999999999999999 111.756 -179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 1.9 p 176.08 -28.97 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.355 -0.384 . . . . 2.2000000000000002 111.392 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 87.05 -176.53 47.28 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.698 -0.763 . . . . 2.6699999999999999 111.627 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.49 63.7 2.22 Favored 'Trans proline' 0 CA--C 1.527 0.174 0 C-N-CA 122.333 2.022 . . . . 2.6800000000000002 112.07 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -142.34 -63.58 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.258 -0.428 . . . . 3.7400000000000002 111.412 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -89.76 109.92 35.84 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.465 -0.334 . . . . 4.2699999999999996 110.98 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.37 142.29 40.69 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.443 2.095 . . . . 2.6200000000000001 112.426 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 80.2 m -109.15 174.51 5.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 2.8500000000000001 110.803 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.454 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 7.8 mpt_? -89.86 124.15 34.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 6.4699999999999998 110.545 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -89.76 128.31 36.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 3.46 110.928 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 t -108.85 -27.17 9.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 2.48 111.212 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.8 -137.86 3.07 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.565 -0.826 . . . . 1.1399999999999999 112.645 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -90.06 107.08 18.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.369 . . . . 3.2999999999999998 110.941 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 t -149.88 103.33 3.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 1.72 110.482 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 31.2 p -104.23 106.84 17.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 1.98 111.054 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -120.43 98.94 6.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 2.0099999999999998 111.181 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.0 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.27 -0.872 . . . . 2.8399999999999999 110.847 179.784 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 40.1 p90 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.929 0.395 . . . . 1.9099999999999999 110.966 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -90.02 136.39 33.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.048 -0.524 . . . . 3.8799999999999999 110.986 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 p -103.9 132.81 20.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 1.7 110.986 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.439 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 88.1 Cg_endo -84.95 -20.35 3.58 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.54 2.16 . . . . 1.45 112.475 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.439 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.0 m-85 -144.12 -65.88 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.291 -0.413 . . . . 2.6000000000000001 110.813 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -158.91 -104.9 0.21 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.861 -0.685 . . . . 2.4500000000000002 112.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.7 t -90.13 10.79 23.04 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.797 0.332 . . . . 2.2000000000000002 110.851 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.17 -71.92 0.06 Allowed 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.789 0.328 . . . . 2.5499999999999998 111.442 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 9' ' ' LEU . 5.7 mp -98.17 33.11 2.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.233 -0.44 . . . . 3.77 110.655 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.421 HG11 ' SG ' ' A' ' 28' ' ' CYS . 59.3 t -101.93 -88.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.343 -0.389 . . . . 1.6499999999999999 111.525 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 23.5 t70 -150.72 38.68 0.69 Allowed 'General case' 0 CA--C 1.527 0.074 0 N-CA-C 112.126 0.417 . . . . 2.8999999999999999 112.126 -179.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 6.4 p -177.54 -40.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.813 -0.355 . . . . 2.2000000000000002 111.889 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.58 179.28 16.24 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.813 -0.708 . . . . 2.6699999999999999 111.965 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.51 66.0 2.93 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.53 2.153 . . . . 2.6800000000000002 112.29 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -140.88 -49.39 0.43 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.264 -0.425 . . . . 3.7400000000000002 111.293 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -94.15 144.19 27.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.452 -0.34 . . . . 4.2699999999999996 111.077 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -78.17 168.47 21.77 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.644 2.23 . . . . 2.6200000000000001 112.284 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.557 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 3.4 m -145.24 165.69 27.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 2.8500000000000001 110.715 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -89.9 87.23 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 6.4699999999999998 110.482 179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.501 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 4.7 p-10 -116.92 138.81 51.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 3.46 111.407 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 57.7 m -89.85 -23.27 21.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.913 -0.585 . . . . 2.48 110.19 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -141.9 -172.98 13.76 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.772 -0.649 . . . . 1.1399999999999999 111.737 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.23 50.28 1.83 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.718 0.294 . . . . 3.2999999999999998 111.039 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 55.3 m -151.26 66.76 0.9 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.763 0.316 . . . . 1.72 110.764 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.501 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 61.2 m -98.08 109.82 22.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.991 0.424 . . . . 1.98 111.352 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -118.43 100.0 7.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.843 -0.617 . . . . 2.0099999999999998 110.91 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.557 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.218 -0.896 . . . . 2.8399999999999999 110.961 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.411 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 22.5 p90 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.904 0.383 . . . . 1.9099999999999999 111.047 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -90.19 147.33 23.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 3.8799999999999999 111.143 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.408 ' SG ' HG21 ' A' ' 10' ' ' VAL . 3.3 m -141.98 128.55 11.13 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.079 -0.51 . . . . 1.7 110.291 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.41 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 84.7 Cg_endo -81.56 -44.6 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.504 2.136 . . . . 1.45 112.902 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.41 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 3.1 m-85 -125.4 -68.77 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 2.6000000000000001 110.68 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.41 -110.28 3.15 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.813 -0.708 . . . . 2.4500000000000002 111.867 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.507 ' O ' HG23 ' A' ' 10' ' ' VAL . 98.8 m -90.12 -77.15 0.41 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.937 0.398 . . . . 2.2000000000000002 110.854 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 7' ' ' CYS . . . 73.38 73.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.912 -0.585 . . . . 2.5499999999999998 110.179 -179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.585 HD12 ' N ' ' A' ' 9' ' ' LEU . 5.2 mp 65.75 34.18 7.68 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.833 -0.621 . . . . 3.77 110.602 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 7' ' ' CYS . 52.1 t -110.29 -75.93 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 1.6499999999999999 111.546 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 20.2 m-20 -150.17 34.16 0.66 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.862 0.319 . . . . 2.8999999999999999 111.862 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 2.5 p 176.32 -31.57 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.437 -0.347 . . . . 2.2000000000000002 111.382 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 88.25 -172.85 42.03 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.793 -0.718 . . . . 2.6699999999999999 111.515 -178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.04 64.55 6.94 Favored 'Trans proline' 0 N--CA 1.463 -0.316 0 C-N-CA 122.278 1.985 . . . . 2.6800000000000002 112.222 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 p-10 -144.42 -50.8 0.29 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.351 -0.386 . . . . 3.7400000000000002 111.608 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 88.5 mtt180 -96.85 137.92 21.35 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.57 0.224 . . . . 4.2699999999999996 110.912 -179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.03 162.99 36.16 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.604 2.203 . . . . 2.6200000000000001 112.44 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.536 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 13.4 m -142.3 161.61 37.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 2.8500000000000001 110.711 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -89.98 124.01 34.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 6.4699999999999998 110.907 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -90.0 137.01 32.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 3.46 110.853 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 22' ' ' GLY . 8.1 t -127.67 -42.35 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 2.48 111.292 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' N ' HG23 ' A' ' 21' ' ' THR . . . -134.75 -178.74 15.87 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.671 -0.776 . . . . 1.1399999999999999 112.642 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -48.98 103.33 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.738 0.304 . . . . 3.2999999999999998 111.138 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . 0.402 ' OE ' ' N ' ' A' ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.4 m -150.31 110.17 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.494 . . . . 1.72 110.234 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.408 ' HB2' ' CB ' ' A' ' 18' ' ' CYS . 28.9 p -109.14 104.72 13.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.049 0.452 . . . . 1.98 111.189 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -103.23 88.14 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.904 -0.589 . . . . 2.0099999999999998 111.061 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.536 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.2 p . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.276 -0.869 . . . . 2.8399999999999999 110.978 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 33.0 p90 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.973 0.416 . . . . 1.9099999999999999 110.891 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.4 ' HB2' ' HB3' ' A' ' 24' ' ' SME . 51.1 p90 -59.01 131.69 51.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 3.8799999999999999 111.153 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.4 m -118.46 161.8 33.58 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.188 -0.46 . . . . 1.7 110.906 179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.459 ' HB2' ' CD1' ' A' ' 5' ' ' PHE . 32.1 Cg_exo -57.28 -63.24 0.16 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.471 2.114 . . . . 1.45 112.722 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 4' ' ' PRO . 0.4 OUTLIER -149.68 -52.73 0.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.115 -0.493 . . . . 2.6000000000000001 111.043 -179.086 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.87 -154.48 22.56 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.714 -0.755 . . . . 2.4500000000000002 112.302 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 p -90.42 39.14 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.788 0.328 . . . . 2.2000000000000002 111.122 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 120.65 10.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.346 -0.388 . . . . 2.5499999999999998 111.166 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 24.2 tp 60.35 28.67 18.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 3.77 110.709 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 46.2 t -109.34 -77.22 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 1.6499999999999999 111.077 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -150.45 31.13 0.66 Allowed 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.872 0.368 . . . . 2.8999999999999999 110.875 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.87 -31.43 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.13 -0.486 . . . . 2.2000000000000002 111.7 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 90.89 176.67 43.94 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.557 -0.83 . . . . 2.6699999999999999 113.026 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.38 64.57 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.671 2.247 . . . . 2.6800000000000002 112.336 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -150.06 -45.14 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.076 -0.511 . . . . 3.7400000000000002 110.933 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -96.31 142.52 24.67 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.406 -0.361 . . . . 4.2699999999999996 110.84 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.43 139.03 28.14 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.538 2.159 . . . . 2.6200000000000001 112.505 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 28' ' ' CYS . 0.6 OUTLIER -115.79 173.63 6.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 2.8500000000000001 110.549 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -102.56 84.41 2.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.92 0.391 . . . . 6.4699999999999998 110.743 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -94.56 136.05 35.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.028 -0.533 . . . . 3.46 110.934 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -89.92 -25.52 20.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 2.48 110.845 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.35 -159.41 8.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.938 -0.648 . . . . 1.1399999999999999 112.01 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -90.4 44.8 1.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 3.2999999999999998 110.979 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . 0.4 ' HB3' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.2 t -150.38 105.79 3.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.424 -0.353 . . . . 1.72 110.527 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.3 p -112.97 100.3 8.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.942 0.401 . . . . 1.98 110.984 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -130.15 101.16 5.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.963 -0.562 . . . . 2.0099999999999998 110.823 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' N ' ' SG ' ' A' ' 18' ' ' CYS . 51.0 m . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.213 -0.898 . . . . 2.8399999999999999 110.888 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.411 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 16.2 p90 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.924 0.392 . . . . 1.9099999999999999 111.006 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -90.25 132.83 35.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.979 -0.555 . . . . 3.8799999999999999 110.882 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.2 p -102.86 122.55 45.38 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.477 -0.329 . . . . 1.7 110.97 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.44 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 89.1 Cg_endo -81.72 -22.59 5.3 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.44 2.093 . . . . 1.45 112.318 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 15.4 m-85 -141.9 -48.56 0.37 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.303 -0.408 . . . . 2.6000000000000001 110.726 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -174.06 -107.76 0.21 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.843 -0.694 . . . . 2.4500000000000002 112.287 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.8 t -90.09 9.38 28.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 2.2000000000000002 111.021 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.401 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -63.85 120.62 12.26 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.82 0.343 . . . . 2.5499999999999998 111.078 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.8 mt 57.93 25.52 12.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 3.77 111.093 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 6' ' ' GLY . 61.8 t -103.94 -75.81 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.356 -0.384 . . . . 1.6499999999999999 111.035 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 23.2 t70 -150.23 31.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.93 0.395 . . . . 2.8999999999999999 111.179 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 4.7 p 178.8 -38.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.929 -0.578 . . . . 2.2000000000000002 110.961 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 117.85 178.97 17.36 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.99 -0.624 . . . . 2.6699999999999999 112.064 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 69.0 Cg_endo -73.51 67.1 4.57 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.564 2.176 . . . . 2.6800000000000002 112.223 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -142.7 -51.33 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 3.7400000000000002 111.228 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -89.91 131.72 38.51 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.409 -0.36 . . . . 4.2699999999999996 111.101 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -83.21 122.03 3.2 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.671 2.247 . . . . 2.6200000000000001 112.459 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 86.2 m -98.11 173.49 7.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.299 -0.41 . . . . 2.8500000000000001 110.825 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HD3' ' N ' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -99.93 117.45 34.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 6.4699999999999998 110.944 -179.903 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -89.88 137.69 32.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 3.46 110.83 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.0 m -112.19 -32.35 6.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.202 -0.454 . . . . 2.48 111.107 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -140.69 -140.62 3.89 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.703 -0.761 . . . . 1.1399999999999999 112.501 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -90.01 108.61 19.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 3.2999999999999998 110.935 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t -150.34 64.05 0.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.062 -0.517 . . . . 1.72 110.184 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 58.8 m -95.37 109.68 21.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.888 -0.596 . . . . 1.98 111.003 -179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -130.21 122.85 28.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 2.0099999999999998 111.043 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.6 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.237 -0.887 . . . . 2.8399999999999999 110.839 179.729 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.414 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 16.6 p90 . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.886 0.374 . . . . 1.9099999999999999 111.081 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -90.3 132.01 35.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 3.8799999999999999 110.995 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 p -105.95 125.68 32.55 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.42 -0.355 . . . . 1.7 111.135 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.429 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 85.6 Cg_endo -83.01 -24.06 3.4 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.488 2.125 . . . . 1.45 111.995 179.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.429 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 4.0 m-85 -149.84 -54.0 0.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 2.6000000000000001 110.433 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.89 -136.07 2.89 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.064 -0.588 . . . . 2.4500000000000002 112.074 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.428 ' O ' ' O ' ' A' ' 11' ' ' ASP . 26.4 p -90.2 20.94 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 2.2000000000000002 111.368 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 14' ' ' PRO . . . -48.14 -56.89 6.75 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.128 0.418 . . . . 2.5499999999999998 112.128 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 9' ' ' LEU . 5.9 mp -90.92 20.24 4.99 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.931 0.345 . . . . 3.77 111.931 -179.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.2 t -126.95 -71.96 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.832 0.348 . . . . 1.6499999999999999 111.229 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 7' ' ' CYS . 32.2 m-20 -150.41 -167.7 2.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 2.8999999999999999 110.093 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 37.08 31.23 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.458 0.54 . . . . 2.2000000000000002 112.458 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 11' ' ' ASP . . . 47.26 -174.76 0.01 OUTLIER Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.824 -0.703 . . . . 2.6699999999999999 112.823 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.442 ' HB3' ' HB1' ' A' ' 8' ' ' ALA . 68.1 Cg_endo -89.21 66.61 2.51 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 122.876 2.384 . . . . 2.6800000000000002 112.443 179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -150.0 -42.08 0.13 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.525 -0.307 . . . . 3.7400000000000002 111.77 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -89.69 131.92 38.35 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.643 0.258 . . . . 4.2699999999999996 111.253 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -85.72 159.37 10.57 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.722 2.282 . . . . 2.6200000000000001 112.48 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.424 ' HB2' ' HB3' ' A' ' 26' ' ' CYS . 95.4 m -132.11 176.7 8.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.012 -0.54 . . . . 2.8500000000000001 110.89 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' N ' ' NE ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -89.97 122.07 32.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.859 -0.61 . . . . 6.4699999999999998 110.947 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -95.0 144.8 25.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 3.46 110.786 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.6 m -116.93 -38.45 3.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 2.48 111.157 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -130.91 -139.65 4.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 1.1399999999999999 112.529 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -90.08 105.55 17.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 3.2999999999999998 110.861 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.4 t -150.75 65.6 0.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.936 -0.575 . . . . 1.72 109.829 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.424 ' HB3' ' HB2' ' A' ' 18' ' ' CYS . 80.3 m -90.05 118.11 29.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.815 -0.629 . . . . 1.98 111.44 -178.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -143.72 126.66 16.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.846 -0.615 . . . . 2.0099999999999998 110.69 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.195 -0.907 . . . . 2.8399999999999999 110.877 -179.738 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.3 p90 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.842 0.353 . . . . 1.9099999999999999 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.432 ' HB2' ' HB2' ' A' ' 24' ' ' SME . 48.9 p90 -89.16 130.57 35.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.067 -0.515 . . . . 3.8799999999999999 111.061 -179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.6 p -104.84 117.44 58.8 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 1.7 110.878 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.442 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 74.5 Cg_endo -77.69 -28.24 5.45 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.41 2.074 . . . . 1.45 112.43 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.442 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 15.8 m-85 -133.5 -62.84 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 2.6000000000000001 110.595 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.14 -143.1 3.6 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.844 -0.616 . . . . 2.4500000000000002 112.01 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.406 ' HB2' ' HB ' ' A' ' 10' ' ' VAL . 28.9 p -90.56 41.96 1.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.974 0.416 . . . . 2.2000000000000002 110.817 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.75 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.98 -0.554 . . . . 2.5499999999999998 111.332 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.471 ' N ' HD22 ' A' ' 9' ' ' LEU . 3.4 mm? -96.51 29.55 2.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.241 -0.436 . . . . 3.77 110.854 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.406 ' HB ' ' HB2' ' A' ' 7' ' ' CYS . 58.1 t -104.53 -85.88 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.251 -0.431 . . . . 1.6499999999999999 111.485 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.404 ' O ' ' CB ' ' A' ' 12' ' ' CYS . 12.3 t70 -150.78 36.19 0.62 Allowed 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 113.055 0.761 . . . . 2.8999999999999999 113.055 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 13' ' ' GLY . 1.7 p 171.28 28.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.158 0.799 . . . . 2.2000000000000002 113.158 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 12' ' ' CYS . . . 47.94 176.83 0.01 OUTLIER Glycine 0 CA--C 1.522 0.512 0 C-N-CA 120.853 -0.689 . . . . 2.6699999999999999 113.526 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -80.9 66.44 8.83 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.564 2.176 . . . . 2.6800000000000002 112.421 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -150.05 -37.1 0.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 3.7400000000000002 111.627 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.449 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 8.7 mpt_? -89.77 139.42 27.77 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.652 0.263 . . . . 4.2699999999999996 110.982 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -78.68 156.04 27.67 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.523 2.149 . . . . 2.6200000000000001 112.382 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.494 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 12.0 m -146.44 170.55 16.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 2.8500000000000001 110.653 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.425 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 11.1 mpt_? -89.86 136.78 32.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.338 -0.392 . . . . 6.4699999999999998 111.053 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -115.93 146.06 42.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 3.46 111.004 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 55.8 m -109.06 -27.83 9.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 2.48 111.034 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -161.09 -131.59 1.24 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.698 -0.763 . . . . 1.1399999999999999 112.508 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.05 113.51 25.22 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.787 0.327 . . . . 3.2999999999999998 110.859 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . 0.432 ' HB2' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.5 p -150.84 65.54 0.92 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.766 -0.652 . . . . 1.72 109.813 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 80.4 m -89.71 116.22 27.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.808 -0.633 . . . . 1.98 111.359 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -138.62 111.6 7.85 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.957 -0.565 . . . . 2.0099999999999998 110.707 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.494 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.244 -0.884 . . . . 2.8399999999999999 110.896 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.412 ' CD2' HG22 ' A' ' 10' ' ' VAL . 30.4 p90 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.857 0.36 . . . . 1.9099999999999999 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.411 ' HB2' ' HB2' ' A' ' 24' ' ' SME . 52.4 p90 -90.03 137.38 32.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.053 -0.521 . . . . 3.8799999999999999 111.156 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 6' ' ' GLY . 31.0 p -104.27 111.23 65.12 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.314 -0.403 . . . . 1.7 110.932 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.403 ' HB2' ' CE1' ' A' ' 5' ' ' PHE . 11.5 Cg_exo -69.61 -38.47 8.08 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.425 2.083 . . . . 1.45 112.001 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.403 ' CE1' ' HB2' ' A' ' 4' ' ' PRO . 0.7 OUTLIER -123.94 -60.58 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.028 -0.533 . . . . 2.6000000000000001 110.427 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . -151.68 -143.49 3.72 Favored Glycine 0 N--CA 1.451 -0.367 0 CA-C-N 115.875 -0.602 . . . . 2.4500000000000002 111.947 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.3 p -90.47 41.41 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.033 0.444 . . . . 2.2000000000000002 110.644 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.43 ' HA ' ' HA2' ' A' ' 13' ' ' GLY . . . -49.31 -75.9 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.885 -0.598 . . . . 2.5499999999999998 112.031 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.9 mt -94.04 36.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.428 -0.351 . . . . 3.77 111.215 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.412 HG22 ' CD2' ' A' ' 1' ' ' PHE . 60.7 t -106.75 -86.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.524 -0.307 . . . . 1.6499999999999999 111.377 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -150.86 37.89 0.65 Allowed 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.04 -0.264 . . . . 2.8999999999999999 111.613 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.41 -44.38 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.4 0.519 . . . . 2.2000000000000002 112.4 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 8' ' ' ALA . . . 116.57 175.57 17.72 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.415 -0.898 . . . . 2.6699999999999999 112.865 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.36 55.38 4.64 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.554 2.17 . . . . 2.6800000000000002 112.568 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -150.27 -31.83 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 3.7400000000000002 111.605 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -89.75 132.15 37.52 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.762 -0.199 . . . . 4.2699999999999996 110.961 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -82.88 134.08 7.05 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.643 2.229 . . . . 2.6200000000000001 112.495 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 76.5 m -121.81 176.06 5.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 2.8500000000000001 110.887 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -89.91 122.67 33.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.92 -0.582 . . . . 6.4699999999999998 110.847 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -93.21 125.42 37.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 3.46 110.954 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.9 m -89.94 -29.68 18.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 2.48 111.026 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -167.25 -125.71 0.79 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 1.1399999999999999 112.398 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -90.04 107.69 19.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.321 . . . . 3.2999999999999998 110.796 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . 0.411 ' HB2' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.4 m -150.51 67.31 0.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.87 -0.604 . . . . 1.72 109.902 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 56.0 m -98.35 109.18 21.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.825 -0.625 . . . . 1.98 111.197 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -144.17 119.86 10.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 2.0099999999999998 110.956 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.6 m . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.262 -0.875 . . . . 2.8399999999999999 110.878 179.815 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.439 ' CE2' HG11 ' A' ' 10' ' ' VAL . 46.5 p90 . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.92 0.391 . . . . 1.9099999999999999 110.949 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -90.14 152.77 20.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 3.8799999999999999 110.975 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.447 ' SG ' HG21 ' A' ' 10' ' ' VAL . 7.5 m -141.38 144.74 35.16 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.238 -0.437 . . . . 1.7 110.707 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.453 ' HB2' ' CE2' ' A' ' 5' ' ' PHE . 73.1 Cg_endo -77.93 -47.11 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.576 2.184 . . . . 1.45 112.511 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 4' ' ' PRO . 0.2 OUTLIER -150.21 -48.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.05 -0.523 . . . . 2.6000000000000001 110.424 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -108.82 -127.94 5.63 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.896 -0.668 . . . . 2.4500000000000002 111.664 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.538 ' O ' HG23 ' A' ' 10' ' ' VAL . 91.5 m -90.11 -78.1 0.38 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.914 0.388 . . . . 2.2000000000000002 110.804 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 7' ' ' CYS . . . 68.92 75.67 0.25 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.051 -0.522 . . . . 2.5499999999999998 110.498 -179.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 22.8 tp 69.77 30.1 3.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.014 -0.539 . . . . 3.77 110.679 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 7' ' ' CYS . 54.9 t -109.87 -79.55 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.44 . . . . 1.6499999999999999 111.472 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 19.9 t70 -150.25 33.57 0.65 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.713 0.264 . . . . 2.8999999999999999 111.713 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 2.0 p 176.31 -25.3 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.411 -0.358 . . . . 2.2000000000000002 111.649 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.78 -176.34 54.09 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.637 -0.792 . . . . 2.6699999999999999 111.412 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.82 61.26 1.76 Allowed 'Trans proline' 0 CA--C 1.528 0.177 0 C-N-CA 122.242 1.962 . . . . 2.6800000000000002 112.024 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -135.96 -65.69 0.58 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.124 -0.489 . . . . 3.7400000000000002 111.022 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 7.6 mpt_? -89.99 106.97 16.27 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.413 -0.358 . . . . 4.2699999999999996 110.733 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.15 139.9 36.43 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.515 2.143 . . . . 2.6200000000000001 112.519 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 74.5 m -112.37 168.66 9.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.061 -0.518 . . . . 2.8500000000000001 110.476 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' A' ' 19' ' ' ARG . 16.6 tpt180 -95.52 127.0 41.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.425 -0.352 . . . . 6.4699999999999998 110.614 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -89.93 137.46 32.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 3.46 111.118 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.0 m -109.06 -25.94 10.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 2.48 111.006 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.21 -139.73 3.95 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.692 -0.766 . . . . 1.1399999999999999 112.518 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.05 103.15 15.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 3.2999999999999998 110.933 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 m -150.4 96.06 2.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.95 -0.568 . . . . 1.72 110.252 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.3 p -93.25 117.69 30.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.163 -0.471 . . . . 1.98 111.263 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -139.9 107.3 5.54 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.929 -0.578 . . . . 2.0099999999999998 110.979 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.2 m . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.186 -0.912 . . . . 2.8399999999999999 110.815 179.872 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.462 ' CD1' HG13 ' A' ' 10' ' ' VAL . 48.2 p90 . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.86 0.362 . . . . 1.9099999999999999 110.857 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.405 ' HB3' ' HB2' ' A' ' 24' ' ' SME . 60.8 m-85 -90.07 146.24 24.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 3.8799999999999999 111.063 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.485 ' SG ' HG21 ' A' ' 10' ' ' VAL . 77.8 m -120.93 120.89 29.12 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.388 -0.369 . . . . 1.7 111.029 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 94.4 Cg_endo -85.84 -47.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.637 2.225 . . . . 1.45 112.483 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.1 m-85 -117.04 -23.58 7.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 2.6000000000000001 110.889 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 158.96 -128.35 2.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.792 -0.718 . . . . 2.4500000000000002 112.438 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 13' ' ' GLY . 50.7 t -89.86 20.78 3.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.82 0.343 . . . . 2.2000000000000002 110.901 -179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.476 ' HA ' ' N ' ' A' ' 14' ' ' PRO . . . -50.46 -82.63 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.801 0.334 . . . . 2.5499999999999998 111.444 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.6 tp -95.74 43.51 1.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.013 0.435 . . . . 3.77 109.998 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.485 HG21 ' SG ' ' A' ' 3' ' ' CYS . 49.2 t -109.57 -84.35 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.056 -0.52 . . . . 1.6499999999999999 111.927 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.483 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.0 t70 -150.7 36.91 0.64 Allowed 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 112.465 0.543 . . . . 2.8999999999999999 112.465 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 8.5 p 178.69 -40.75 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.265 0.468 . . . . 2.2000000000000002 112.265 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 7' ' ' CYS . . . 126.21 175.9 14.32 Favored Glycine 0 N--CA 1.45 -0.411 0 N-CA-C 111.41 -0.676 . . . . 2.6699999999999999 111.41 -178.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.476 ' N ' ' HA ' ' A' ' 8' ' ' ALA . 88.4 Cg_endo -80.24 67.46 8.61 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.243 1.962 . . . . 2.6800000000000002 112.201 -179.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -146.29 -32.4 0.34 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.073 -0.512 . . . . 3.7400000000000002 111.924 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.436 ' HA ' ' NE ' ' A' ' 16' ' ' ARG . 4.1 mmp_? -89.68 119.25 69.49 Favored Pre-proline 0 C--N 1.332 -0.17 0 CA-C-O 120.54 0.209 . . . . 4.2699999999999996 111.085 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -81.2 124.07 4.72 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.59 2.193 . . . . 2.6200000000000001 112.299 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.423 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 72.4 m -113.02 174.02 6.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 2.8500000000000001 110.933 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -97.98 127.04 43.68 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.951 -0.568 . . . . 6.4699999999999998 110.806 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -89.99 124.76 35.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 3.46 110.979 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.1 m -102.39 -30.36 11.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 2.48 110.959 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.4 -141.91 3.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.789 -0.72 . . . . 1.1399999999999999 112.465 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.05 111.22 22.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.827 0.346 . . . . 3.2999999999999998 110.908 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . 0.405 ' HB2' ' HB3' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.5 t -150.56 92.44 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 1.72 110.149 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.479 ' SG ' HG21 ' A' ' 10' ' ' VAL . 14.4 p -111.01 102.8 11.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.49 0.662 . . . . 1.98 111.025 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -122.33 115.54 22.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.655 -0.702 . . . . 2.0099999999999998 111.069 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.5 m . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.33 -0.843 . . . . 2.8399999999999999 110.925 179.752 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.7 p90 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.87 0.367 . . . . 1.9099999999999999 110.937 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.429 ' HB2' ' HB2' ' A' ' 24' ' ' SME . 48.1 p90 -87.94 134.99 33.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.048 -0.524 . . . . 3.8799999999999999 111.0 -179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 p -99.17 127.99 33.22 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.28 -0.418 . . . . 1.7 110.899 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.437 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 91.2 Cg_endo -85.17 -21.11 3.16 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.507 2.138 . . . . 1.45 112.349 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.437 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 13.8 m-85 -144.96 -47.63 0.24 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.181 -0.463 . . . . 2.6000000000000001 110.653 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.14 -103.48 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.901 -0.666 . . . . 2.4500000000000002 112.294 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.402 ' HA ' ' CG2' ' A' ' 10' ' ' VAL . 48.8 t -90.22 14.22 13.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.726 0.298 . . . . 2.2000000000000002 111.018 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.421 ' HA ' ' N ' ' A' ' 14' ' ' PRO . . . -51.74 -54.57 26.95 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-O 120.902 0.382 . . . . 2.5499999999999998 111.35 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.5 mt -119.26 34.9 5.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.127 -0.488 . . . . 3.77 110.679 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.402 ' CG2' ' HA ' ' A' ' 7' ' ' CYS . 91.6 t -100.39 -86.66 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 1.6499999999999999 111.44 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -150.65 40.19 0.74 Allowed 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 111.794 0.294 . . . . 2.8999999999999999 111.794 -179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.7 p -176.92 -38.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 2.2000000000000002 111.664 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.87 -174.61 15.29 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.859 -0.686 . . . . 2.6699999999999999 111.885 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' N ' ' HA ' ' A' ' 8' ' ' ALA . 74.5 Cg_endo -74.62 66.09 5.67 Favored 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.499 2.133 . . . . 2.6800000000000002 112.299 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -139.53 -54.99 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 3.7400000000000002 111.171 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -89.9 128.85 48.51 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.306 -0.407 . . . . 4.2699999999999996 110.94 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -81.5 128.0 5.97 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.467 2.111 . . . . 2.6200000000000001 112.419 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 69.7 m -104.32 172.29 6.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 2.8500000000000001 110.761 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -98.88 128.95 45.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 6.4699999999999998 111.06 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -98.5 142.47 30.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.075 -0.511 . . . . 3.46 110.773 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 t -115.47 -35.55 4.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 2.48 111.371 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.64 -136.72 3.61 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.644 -0.789 . . . . 1.1399999999999999 112.583 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.09 104.5 17.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 3.2999999999999998 110.934 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . 0.429 ' HB2' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 50.7 m -150.62 61.95 0.94 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.06 -0.518 . . . . 1.72 110.171 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 59.5 m -91.07 113.96 26.36 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.634 . . . . 1.98 111.007 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -139.36 122.38 16.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 2.0099999999999998 110.948 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 64.3 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.229 -0.891 . . . . 2.8399999999999999 110.854 179.921 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.453 ' CD1' HG13 ' A' ' 10' ' ' VAL . 22.9 p90 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.879 0.371 . . . . 1.9099999999999999 111.035 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -90.16 152.41 21.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.048 -0.524 . . . . 3.8799999999999999 111.087 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.9 t -115.73 101.48 54.13 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 1.7 111.077 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.432 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 94.2 Cg_endo -80.89 -21.4 6.95 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.433 2.089 . . . . 1.45 112.308 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.432 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 12.2 m-85 -144.62 -64.16 0.35 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.267 -0.424 . . . . 2.6000000000000001 110.691 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.472 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -152.35 -110.81 0.46 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.891 -0.671 . . . . 2.4500000000000002 112.219 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.2 t -90.09 11.19 21.54 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.74 0.305 . . . . 2.2000000000000002 111.029 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.464 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -62.43 119.19 8.64 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.811 0.339 . . . . 2.5499999999999998 111.085 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 9' ' ' LEU . 23.4 tp 55.28 24.33 6.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 3.77 110.862 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.472 HG21 ' O ' ' A' ' 6' ' ' GLY . 67.0 t -99.93 -74.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.425 . . . . 1.6499999999999999 111.023 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.47 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.8 t70 -150.11 31.54 0.68 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 2.8999999999999999 111.258 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.47 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 7.7 p 177.03 -37.6 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 2.2000000000000002 111.102 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.9 176.65 15.52 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.962 -0.637 . . . . 2.6699999999999999 111.861 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.464 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 73.1 Cg_endo -72.84 70.43 3.54 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.504 2.136 . . . . 2.6800000000000002 112.43 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -147.06 -52.72 0.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 3.7400000000000002 111.472 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.432 ' CG ' ' HD2' ' A' ' 17' ' ' PRO . 38.0 ttm180 -90.12 141.69 28.05 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.456 -0.338 . . . . 4.2699999999999996 111.024 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HD2' ' CG ' ' A' ' 16' ' ' ARG . 86.6 Cg_endo -79.18 157.65 26.42 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.354 2.036 . . . . 2.6200000000000001 112.232 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.9 m -138.9 171.62 14.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.428 . . . . 2.8500000000000001 110.825 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.458 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 8.5 mpt_? -89.94 119.87 30.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 6.4699999999999998 110.87 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -90.09 109.68 20.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 3.46 110.822 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.4 m -90.0 -29.26 18.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.101 -0.5 . . . . 2.48 110.909 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -159.49 -144.78 4.06 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.82 -0.705 . . . . 1.1399999999999999 112.456 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -90.04 114.1 25.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.693 0.282 . . . . 3.2999999999999998 110.975 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.7 m -150.75 72.43 1.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 1.72 109.983 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 51.2 m -89.75 119.83 30.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.916 -0.584 . . . . 1.98 111.217 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -94.64 102.08 13.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.764 -0.653 . . . . 2.0099999999999998 110.451 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.249 -0.882 . . . . 2.8399999999999999 110.974 -179.655 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.1 p90 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.787 0.327 . . . . 1.9099999999999999 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.453 ' CD2' ' HB3' ' A' ' 24' ' ' SME . 17.5 t80 -59.97 118.39 6.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 3.8799999999999999 110.89 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.5 p -100.69 120.14 56.64 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 1.7 111.005 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.43 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 73.7 Cg_endo -75.89 -18.71 16.66 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.416 2.078 . . . . 1.45 112.454 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 30.3 m-85 -138.76 -67.33 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.355 . . . . 2.6000000000000001 110.943 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -172.05 -97.03 0.1 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.75 . . . . 2.4500000000000002 112.48 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 50.2 t -90.11 12.67 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 2.2000000000000002 110.981 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -60.94 117.77 5.88 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.865 0.364 . . . . 2.5499999999999998 111.156 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.1 mt 56.23 23.26 6.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 3.77 111.107 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.9 t -97.62 -74.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.385 -0.37 . . . . 1.6499999999999999 110.933 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.437 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.2 t70 -150.28 31.65 0.67 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.838 0.351 . . . . 2.8999999999999999 111.244 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 8.7 p 178.52 -37.72 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.039 -0.528 . . . . 2.2000000000000002 111.255 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.59 179.01 15.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.96 -0.638 . . . . 2.6699999999999999 112.1 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.431 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 98.1 Cg_endo -76.77 71.53 6.06 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.685 2.257 . . . . 2.6800000000000002 112.525 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -149.91 -52.42 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.383 -0.372 . . . . 3.7400000000000002 111.46 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -93.35 154.17 41.41 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.425 -0.352 . . . . 4.2699999999999996 111.174 -179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -87.67 155.02 7.57 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.868 2.379 . . . . 2.6200000000000001 112.572 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.7 m -119.05 175.06 5.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 2.8500000000000001 110.805 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -89.8 83.39 6.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.986 -0.552 . . . . 6.4699999999999998 110.612 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.476 ' HB3' ' HA ' ' A' ' 26' ' ' CYS . 4.6 p-10 -105.79 142.45 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.052 -0.522 . . . . 3.46 111.282 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 52.9 m -89.86 -25.01 21.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.011 -0.54 . . . . 2.48 110.34 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.12 -170.87 12.13 Favored Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 115.819 -0.628 . . . . 1.1399999999999999 111.814 179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -90.29 47.28 1.42 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.76 0.314 . . . . 3.2999999999999998 111.313 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . 0.453 ' HB3' ' CD2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 54.9 m -150.76 61.65 0.93 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.915 0.388 . . . . 1.72 110.437 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.476 ' HA ' ' HB3' ' A' ' 20' ' ' ASP . 34.7 m -96.5 112.36 24.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.167 -0.469 . . . . 1.98 111.186 -179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -133.36 110.35 9.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 2.0099999999999998 110.995 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.7 m . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.225 -0.893 . . . . 2.8399999999999999 110.814 179.872 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.501 ' CE2' HG13 ' A' ' 10' ' ' VAL . 43.6 p90 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.906 0.384 . . . . 1.9099999999999999 110.995 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.477 ' HB3' ' HB2' ' A' ' 24' ' ' SME . 96.5 m-85 -89.95 132.72 35.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 3.8799999999999999 111.075 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.3 p -101.96 129.99 25.31 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 1.7 110.838 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.44 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 89.6 Cg_endo -86.69 -21.84 2.12 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.67 2.247 . . . . 1.45 112.597 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.2 m-85 -142.36 -48.08 0.35 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.933 0.397 . . . . 2.6000000000000001 110.799 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.428 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -178.14 -111.78 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.846 -0.692 . . . . 2.4500000000000002 112.323 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 47.6 t -90.35 17.46 7.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 2.2000000000000002 111.169 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -67.31 118.05 10.16 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.822 0.344 . . . . 2.5499999999999998 111.154 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.475 ' N ' HD22 ' A' ' 9' ' ' LEU . 3.4 mm? 54.75 25.43 6.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 3.77 111.003 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.501 HG13 ' CE2' ' A' ' 1' ' ' PHE . 54.5 t -100.4 -73.6 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 1.6499999999999999 111.071 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.493 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 16.0 m-20 -150.0 31.17 0.7 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.497 -0.319 . . . . 2.8999999999999999 111.367 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 5.7 p 175.58 -36.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 2.2000000000000002 111.284 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.18 174.76 17.71 Favored Glycine 0 N--CA 1.451 -0.353 0 N-CA-C 111.555 -0.618 . . . . 2.6699999999999999 111.555 -178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 71.4 Cg_endo -73.86 65.0 4.98 Favored 'Trans proline' 0 N--CA 1.464 -0.22 0 C-N-CA 122.325 2.017 . . . . 2.6800000000000002 112.221 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -141.85 -49.38 0.39 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.373 -0.376 . . . . 3.7400000000000002 111.703 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 67.1 mtp180 -89.78 124.09 64.71 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.731 -0.213 . . . . 4.2699999999999996 111.32 -179.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 14.4 Cg_exo -69.07 134.08 28.5 Favored 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.463 2.108 . . . . 2.6200000000000001 111.996 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 82.6 m -119.01 174.51 6.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 2.8500000000000001 110.774 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -89.92 121.76 32.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.446 . . . . 6.4699999999999998 111.277 -179.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -97.41 143.58 28.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 3.46 110.756 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.3 m -100.21 -28.05 13.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.125 -0.489 . . . . 2.48 111.105 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 175.54 -112.11 0.38 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.738 -0.744 . . . . 1.1399999999999999 112.522 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -90.03 98.46 11.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 3.2999999999999998 110.874 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . 0.477 ' HB2' ' HB3' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 46.9 t -150.45 61.88 0.95 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.96 -0.564 . . . . 1.72 110.081 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.6 m -90.01 117.05 28.51 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.732 -0.667 . . . . 1.98 111.318 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -113.68 129.89 56.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.93 -0.577 . . . . 2.0099999999999998 110.262 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.303 -0.856 . . . . 2.8399999999999999 110.896 -179.453 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.405 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 32.6 p90 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.981 0.42 . . . . 1.9099999999999999 110.968 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -90.24 148.56 22.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.065 -0.516 . . . . 3.8799999999999999 111.156 -179.921 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.0 m -138.72 125.89 13.17 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 1.7 110.459 179.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.434 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 83.0 Cg_endo -81.67 -37.47 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.531 2.154 . . . . 1.45 113.0 -179.471 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.434 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 7.2 m-85 -128.95 -69.84 0.69 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.843 0.354 . . . . 2.6000000000000001 111.042 -179.676 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -125.27 -148.27 7.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 2.4500000000000002 112.313 179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.6 p -90.36 39.58 0.98 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.719 0.295 . . . . 2.2000000000000002 111.035 179.969 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.45 109.68 0.65 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.391 -0.368 . . . . 2.5499999999999998 110.973 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 25.4 tp 60.96 29.72 19.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 3.77 110.433 -179.627 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.4 t -110.33 -69.66 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.074 -0.512 . . . . 1.6499999999999999 111.048 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -150.16 27.55 0.76 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.751 0.31 . . . . 2.8999999999999999 111.532 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.404 ' HB3' ' NH2' ' A' ' 16' ' ' ARG . 1.6 p 168.22 38.57 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.067 -0.515 . . . . 2.2000000000000002 111.762 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 48.87 179.89 0.01 OUTLIER Glycine 0 CA--C 1.519 0.316 0 C-N-CA 121.226 -0.511 . . . . 2.6699999999999999 113.34 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -83.25 58.11 6.08 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.737 2.291 . . . . 2.6800000000000002 112.286 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -131.57 -53.03 1.01 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.232 -0.44 . . . . 3.7400000000000002 111.228 -179.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' NH2' ' HB3' ' A' ' 12' ' ' CYS . 86.9 mtm180 -90.04 108.43 26.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 4.2699999999999996 111.056 -179.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -78.05 154.77 29.51 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.616 2.21 . . . . 2.6200000000000001 112.468 -179.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 26' ' ' CYS . 78.5 m -121.76 174.93 6.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 2.8500000000000001 110.909 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -91.19 127.43 36.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.935 -0.575 . . . . 6.4699999999999998 110.8 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -89.89 131.07 36.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 3.46 110.918 -179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.8 m -111.52 -27.54 8.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 2.48 111.319 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.77 -140.41 4.33 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.585 -0.816 . . . . 1.1399999999999999 112.545 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -89.94 99.35 12.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 3.2999999999999998 110.871 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 79.8 p -150.16 107.45 3.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 1.72 110.285 -179.85 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.401 ' HB2' ' HB2' ' A' ' 18' ' ' CYS . 29.0 p -105.64 108.13 19.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.154 0.502 . . . . 1.98 111.034 -179.444 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -131.32 107.19 8.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.874 -0.603 . . . . 2.0099999999999998 110.977 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.1 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.261 -0.876 . . . . 2.8399999999999999 110.828 -179.943 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.411 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 12.0 p90 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.914 0.388 . . . . 1.9099999999999999 110.933 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -90.13 142.97 27.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 3.8799999999999999 110.979 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.0 m -131.36 112.49 15.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 1.7 110.715 179.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.446 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 98.3 Cg_endo -87.11 -24.71 1.24 Allowed 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.725 2.283 . . . . 1.45 113.042 -179.563 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.446 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 26.5 m-85 -135.61 29.16 3.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.795 0.331 . . . . 2.6000000000000001 111.303 -179.6 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 88.51 -120.64 5.72 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.643 -0.789 . . . . 2.4500000000000002 112.723 179.748 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 46.1 t -86.52 35.89 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.301 . . . . 2.2000000000000002 111.295 -179.454 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.29 96.55 1.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 2.5499999999999998 110.964 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.9 mt 57.31 30.15 18.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 3.77 110.588 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 36.8 t -103.84 -52.65 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 1.6499999999999999 111.442 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.513 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 21.3 t70 -149.89 30.99 0.71 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.978 -0.289 . . . . 2.8999999999999999 111.768 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 17.2 p 173.74 -42.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.243 -0.435 . . . . 2.2000000000000002 111.389 179.72 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.11 159.56 9.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.871 -0.681 . . . . 2.6699999999999999 111.746 -179.204 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.78 58.93 1.6 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.37 2.046 . . . . 2.6800000000000002 112.605 -179.69 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -150.2 22.39 0.85 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.143 -0.481 . . . . 3.7400000000000002 111.114 179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -143.55 138.64 15.55 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.665 -0.243 . . . . 4.2699999999999996 111.159 -179.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -81.43 115.15 2.84 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.628 2.219 . . . . 2.6200000000000001 112.269 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.57 172.47 7.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.396 . . . . 2.8500000000000001 110.834 -179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -100.73 108.48 20.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 6.4699999999999998 111.049 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -94.3 105.71 17.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 3.46 110.765 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 46.7 m -94.05 -28.98 15.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 2.48 111.263 -179.786 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -133.06 -151.61 6.67 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.628 -0.796 . . . . 1.1399999999999999 112.658 -179.838 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.411 ' HB2' ' CE ' ' A' ' 24' ' ' SME . 1.3 p90 -90.04 115.48 27.34 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.828 0.346 . . . . 3.2999999999999998 110.859 -179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . 0.411 ' CE ' ' HB2' ' A' ' 23' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -150.15 88.36 1.52 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.926 -0.579 . . . . 1.72 110.398 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.7 p -89.93 118.43 29.49 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.082 -0.508 . . . . 1.98 111.138 -179.39 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -117.48 98.94 6.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.951 -0.568 . . . . 2.0099999999999998 110.744 179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.5 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.225 -0.893 . . . . 2.8399999999999999 110.894 -179.952 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.452 ' CE1' HG11 ' A' ' 10' ' ' VAL . 50.9 p90 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.9 0.381 . . . . 1.9099999999999999 110.893 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -84.79 125.74 32.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 3.8799999999999999 111.183 -179.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.7 p -94.64 120.87 64.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 1.7 110.888 179.85 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.443 ' HB2' ' CE2' ' A' ' 5' ' ' PHE . 97.2 Cg_endo -86.52 -28.85 0.54 Allowed 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.474 2.116 . . . . 1.45 112.363 179.803 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 4' ' ' PRO . 2.1 m-85 -150.16 29.12 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 2.6000000000000001 110.697 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.507 ' O ' HG21 ' A' ' 10' ' ' VAL . . . 98.83 -118.25 6.11 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.732 -0.747 . . . . 2.4500000000000002 112.179 -179.623 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -90.22 14.39 12.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.664 0.268 . . . . 2.2000000000000002 111.077 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.509 ' O ' HG23 ' A' ' 10' ' ' VAL . . . -58.81 113.03 1.86 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.826 0.346 . . . . 2.5499999999999998 111.09 -179.958 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 9' ' ' LEU . 3.3 mm? 49.91 27.67 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 3.77 111.084 -179.62 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 8' ' ' ALA . 51.7 t -98.76 -68.45 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 1.6499999999999999 111.244 -179.734 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.535 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 22.0 t70 -149.78 30.85 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.477 -0.328 . . . . 2.8999999999999999 111.454 -179.712 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.535 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 11.4 p 173.96 -36.0 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.167 -0.47 . . . . 2.2000000000000002 111.489 179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.54 167.32 13.37 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.961 -0.638 . . . . 2.6699999999999999 111.604 -178.748 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.473 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 74.2 Cg_endo -75.51 68.66 6.12 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 122.379 2.052 . . . . 2.6800000000000002 112.334 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -150.15 -34.54 0.17 Allowed 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.302 -0.408 . . . . 3.7400000000000002 111.786 -179.758 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 2.0 mmp_? -89.83 127.95 52.1 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 120.486 0.184 . . . . 4.2699999999999996 110.729 -179.563 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 32.1 Cg_exo -58.05 163.59 9.52 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.238 1.959 . . . . 2.6200000000000001 111.894 179.735 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 33.5 m -147.67 174.25 11.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.354 -0.385 . . . . 2.8500000000000001 111.119 -179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -99.93 96.59 7.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 6.4699999999999998 110.704 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -89.91 89.83 7.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 3.46 110.708 -179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.9 m -89.93 -27.45 19.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 2.48 111.168 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -139.28 -165.81 10.39 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.66 -0.781 . . . . 1.1399999999999999 112.435 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -90.1 116.03 27.81 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.9 0.381 . . . . 3.2999999999999998 110.909 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 51.7 m -150.25 61.62 0.97 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.25 -0.432 . . . . 1.72 110.502 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 60.3 m -93.87 110.88 22.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.013 -0.54 . . . . 1.98 111.209 -179.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -92.71 90.0 6.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.09 -0.505 . . . . 2.0099999999999998 110.414 179.641 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 m . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.262 -0.875 . . . . 2.8399999999999999 110.944 -179.495 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.4 ' O ' ' CD1' ' A' ' 1' ' ' PHE . 37.7 p90 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.849 0.357 . . . . 1.9099999999999999 110.869 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.446 ' HB2' ' HB2' ' A' ' 24' ' ' SME . 49.5 p90 -89.78 150.68 22.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 3.8799999999999999 111.221 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 33.0 t -113.87 109.86 49.66 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.956 -0.565 . . . . 1.7 111.066 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.438 ' HG2' ' CD2' ' A' ' 5' ' ' PHE . 86.5 Cg_endo -84.42 -20.62 3.92 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.516 2.144 . . . . 1.45 112.331 179.71 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.438 ' CD2' ' HG2' ' A' ' 4' ' ' PRO . 18.2 m-85 -143.75 -59.27 0.4 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.258 -0.428 . . . . 2.6000000000000001 110.76 -179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.409 ' O ' HG21 ' A' ' 10' ' ' VAL . . . -164.42 -112.68 0.27 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.948 -0.644 . . . . 2.4500000000000002 112.326 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.2 t -90.21 18.67 5.74 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.823 0.344 . . . . 2.2000000000000002 110.887 179.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.538 ' HB2' ' HB3' ' A' ' 14' ' ' PRO . . . -67.96 117.96 10.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.896 0.379 . . . . 2.5499999999999998 111.19 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 23.2 tp 55.98 23.43 6.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 3.77 110.857 -179.864 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 6' ' ' GLY . 49.0 t -98.24 -74.23 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 1.6499999999999999 110.96 -179.923 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' A' ' 12' ' ' CYS . 20.2 m-20 -150.25 31.39 0.68 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.729 0.3 . . . . 2.8999999999999999 111.431 179.839 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.464 ' HB3' ' O ' ' A' ' 11' ' ' ASP . 6.2 p 177.1 -37.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.107 -0.497 . . . . 2.2000000000000002 111.262 179.845 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.63 172.66 14.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.895 -0.669 . . . . 2.6699999999999999 111.883 -179.106 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.538 ' HB3' ' HB2' ' A' ' 8' ' ' ALA . 62.5 Cg_endo -71.27 70.35 2.44 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.516 2.144 . . . . 2.6800000000000002 112.351 -179.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -147.33 -46.53 0.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.367 -0.379 . . . . 3.7400000000000002 111.595 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 78.3 mtp180 -92.74 128.52 43.63 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.579 -0.282 . . . . 4.2699999999999996 111.257 -179.472 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 16' ' ' ARG . 25.2 Cg_exo -63.14 168.88 10.1 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.383 2.055 . . . . 2.6200000000000001 112.03 179.466 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.518 ' HA ' ' HB3' ' A' ' 28' ' ' CYS . 7.9 m -145.46 171.86 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 2.8500000000000001 110.867 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -89.97 115.57 27.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.059 -0.519 . . . . 6.4699999999999998 110.732 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -89.78 100.47 13.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 3.46 110.938 -179.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -90.06 -29.31 18.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 2.48 111.011 179.881 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -155.37 -144.77 4.0 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.801 -0.714 . . . . 1.1399999999999999 112.457 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.424 ' HB2' ' CE ' ' A' ' 24' ' ' SME . 1.3 p90 -90.15 116.65 28.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 3.2999999999999998 110.88 -179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' SME . . . . . 0.446 ' HB2' ' HB2' ' A' ' 2' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.6 t -150.82 72.0 1.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 1.72 110.312 -179.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.415 ' HB3' ' CB ' ' A' ' 18' ' ' CYS . 56.3 m -89.87 111.54 22.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.033 -0.531 . . . . 1.98 111.225 -179.293 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -105.07 91.57 3.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 2.0099999999999998 111.099 -179.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.518 ' HB3' ' HA ' ' A' ' 18' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.233 -0.889 . . . . 2.8399999999999999 110.93 179.745 . . . . . . . . 2 2 . 1 stop_ save_