data_6xth_residue ############################ # Computer software used # ############################ 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 6xth _Structure_validation_residue.Date_analyzed 2020-11-27 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 full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 103.289 -3.924 . . . . 50.0 103.289 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m -134.15 -13.14 2.44 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 117.241 2.312 . . . . 50.0 117.241 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -74.2 -91.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 114.761 1.393 . . . . 75.0 114.761 -172.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.33 -165.19 40.6 Favored Glycine 0 C--O 1.228 -0.272 0 N-CA-C 110.11 -1.196 . . . . 50.0 110.11 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -105.2 154.4 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 114.701 1.371 . . . . 75.0 114.701 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 159.45 -83.84 0.13 Allowed Glycine 0 C--N 1.33 0.247 0 N-CA-C 117.159 1.624 . . . . 50.0 117.159 164.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -122.74 -173.38 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.96 0.904 . . . . 50.0 109.594 -173.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 66.46 144.99 0.09 OUTLIER Pre-proline 0 C--O 1.214 -0.778 0 CA-C-O 122.188 0.994 . . . . 50.0 111.203 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.22 116.91 4.01 Favored 'Trans proline' 0 C--N 1.354 0.841 0 O-C-N 119.003 -1.104 . . . . 50.0 110.0 173.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.82 -19.73 8.33 Favored Glycine 0 N--CA 1.453 -0.227 0 N-CA-C 110.892 -0.883 . . . . 50.0 110.892 -165.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.0 t 62.03 81.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 124.454 1.102 . . . . 50.0 111.238 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.41 124.28 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 125.027 1.331 . . . . 75.0 108.199 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.5 t -61.96 103.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.374 -0.602 . . . . 50.0 109.374 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.13 -50.84 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 75.0 111.199 -175.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.1 mt -126.02 115.71 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 108.382 -0.969 . . . . 50.0 108.382 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 m95 20.76 73.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 124.953 1.301 . . . . 50.0 114.253 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.5 p -74.29 163.68 27.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.173 0.987 . . . . 50.0 112.199 -177.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.214 -0.766 0 CA-C-N 115.339 -0.846 . . . . 50.0 113.216 178.834 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.312 0 N-CA-C 115.354 0.902 . . . . 50.0 115.354 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.6 m -151.72 16.8 0.69 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 115.694 1.739 . . . . 50.0 115.694 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -86.53 -136.46 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.702 0.401 . . . . 75.0 110.939 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.86 129.62 38.76 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 121.106 -0.569 . . . . 50.0 114.331 -177.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -59.13 150.92 23.84 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 116.947 2.203 . . . . 75.0 116.947 -158.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.46 -125.79 1.27 Allowed Glycine 0 CA--C 1.518 0.239 0 N-CA-C 114.748 0.659 . . . . 50.0 114.748 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -80.1 -159.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.837 -0.801 . . . . 50.0 108.837 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 65.98 135.83 0.04 OUTLIER Pre-proline 0 C--O 1.214 -0.785 0 CA-C-O 122.615 1.198 . . . . 50.0 111.632 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -63.81 122.98 11.24 Favored 'Trans proline' 0 C--N 1.353 0.796 0 O-C-N 118.88 -1.169 . . . . 50.0 109.559 171.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.44 -9.68 35.66 Favored Glycine 0 CA--C 1.517 0.213 0 CA-C-N 115.272 -0.876 . . . . 50.0 112.136 -169.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.0 t 67.89 82.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 124.54 1.136 . . . . 50.0 113.505 166.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.61 137.24 20.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.201 -0.909 . . . . 75.0 109.413 174.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.7 t -69.43 84.02 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.045 0.45 . . . . 50.0 110.517 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.37 -45.92 7.25 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.059 0.544 . . . . 75.0 111.756 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.3 mt -129.65 113.78 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.96 -0.385 . . . . 50.0 109.96 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 12.5 m95 27.06 63.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 114.846 1.424 . . . . 50.0 114.846 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.1 p -72.72 162.09 29.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 122.573 1.178 . . . . 50.0 113.337 -175.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.6 t0 . . . . . 0 C--O 1.217 -0.64 0 CA-C-N 115.295 -0.866 . . . . 50.0 111.996 172.486 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.182 0 N-CA-C 109.669 -1.372 . . . . 50.0 109.669 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -143.92 -4.66 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 116.602 2.075 . . . . 50.0 116.602 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -82.61 -125.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.219 0.451 . . . . 75.0 112.219 -177.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.59 178.83 23.06 Favored Glycine 0 C--O 1.228 -0.278 0 N-CA-C 110.956 -0.858 . . . . 50.0 110.956 176.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -86.0 156.94 20.24 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 117.077 2.251 . . . . 75.0 117.077 -163.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 156.84 -130.07 2.57 Favored Glycine 0 CA--C 1.518 0.248 0 N-CA-C 115.836 1.094 . . . . 50.0 115.836 168.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -75.56 -168.86 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.199 1.0 . . . . 50.0 109.983 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 67.92 138.09 0.05 OUTLIER Pre-proline 0 C--O 1.214 -0.807 0 CA-C-O 122.162 0.982 . . . . 50.0 111.634 173.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -62.74 121.95 10.07 Favored 'Trans proline' 0 C--N 1.354 0.833 0 O-C-N 118.9 -1.158 . . . . 50.0 109.554 172.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.04 -6.51 32.56 Favored Glycine 0 CA--C 1.517 0.202 0 CA-C-N 115.583 -0.735 . . . . 50.0 112.118 -168.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 18.7 t 64.97 77.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 124.045 0.938 . . . . 50.0 111.545 163.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -150.3 127.58 11.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.762 -1.108 . . . . 75.0 111.631 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.2 t -66.95 99.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.628 -0.878 . . . . 50.0 108.628 170.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.98 -49.02 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.921 -0.581 . . . . 75.0 111.215 -176.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.2 mt -122.21 117.07 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.353 -0.98 . . . . 50.0 108.353 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER 13.8 78.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.221 1.408 . . . . 50.0 114.572 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.549 ' O ' ' HC ' ' A' ' 18' ' ' ASP . 26.8 p -75.61 158.71 32.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 122.058 0.932 . . . . 50.0 112.389 -177.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.549 ' HC ' ' O ' ' A' ' 17' ' ' CYS . 38.0 t70 . . . . . 0 C--O 1.214 -0.768 0 N-CA-C 114.119 1.155 . . . . 50.0 114.119 176.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 108.062 -2.015 . . . . 50.0 108.062 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -140.07 -14.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 115.227 1.565 . . . . 50.0 115.227 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -78.39 -128.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.751 0.648 . . . . 75.0 112.751 -173.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.61 178.42 19.24 Favored Glycine 0 C--O 1.227 -0.325 0 N-CA-C 111.275 -0.73 . . . . 50.0 111.275 177.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -83.54 157.1 22.48 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 117.527 2.417 . . . . 75.0 117.527 -164.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 155.92 -131.55 3.08 Favored Glycine 0 CA--C 1.518 0.237 0 N-CA-C 115.366 0.907 . . . . 50.0 115.366 167.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -73.95 -168.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.259 1.024 . . . . 50.0 110.321 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 68.12 137.26 0.05 OUTLIER Pre-proline 0 C--O 1.214 -0.805 0 CA-C-O 122.102 0.953 . . . . 50.0 111.747 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.13 119.01 5.93 Favored 'Trans proline' 0 C--N 1.354 0.857 0 O-C-N 118.759 -1.232 . . . . 50.0 109.298 171.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.79 -9.69 21.39 Favored Glycine 0 CA--C 1.517 0.166 0 CA-C-N 115.69 -0.686 . . . . 50.0 111.861 -166.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.7 t 63.82 76.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.184 0.994 . . . . 50.0 111.47 166.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -150.6 126.72 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.801 -1.091 . . . . 75.0 111.478 176.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.3 t -63.61 103.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.85 -0.796 . . . . 50.0 108.85 169.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.69 -49.01 2.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.502 . . . . 75.0 111.034 -176.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.7 mt -123.8 115.62 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.977 -0.749 . . . . 50.0 108.977 176.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.7 m95 20.93 73.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 125.037 1.335 . . . . 50.0 114.602 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.8 p -75.48 163.25 27.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 122.392 1.091 . . . . 50.0 112.478 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.3 t0 . . . . . 0 C--O 1.218 -0.601 0 CA-C-N 115.582 -0.735 . . . . 50.0 111.904 169.195 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.252 0 N-CA-C 110.156 -1.178 . . . . 50.0 110.156 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -147.43 -15.72 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 115.495 1.665 . . . . 50.0 115.495 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -83.61 -118.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.028 0.751 . . . . 75.0 113.028 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.93 177.57 23.03 Favored Glycine 0 C--O 1.227 -0.332 0 N-CA-C 110.73 -0.948 . . . . 50.0 110.73 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -95.52 155.26 16.82 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 116.797 2.147 . . . . 75.0 116.797 -164.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 164.4 -103.59 0.21 Allowed Glycine 0 C--N 1.331 0.29 0 N-CA-C 116.584 1.393 . . . . 50.0 116.584 169.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -106.59 -169.66 1.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 124.656 1.183 . . . . 50.0 109.115 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.01 141.91 0.07 OUTLIER Pre-proline 0 C--O 1.214 -0.783 0 CA-C-O 122.3 1.048 . . . . 50.0 111.091 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -63.13 121.47 9.33 Favored 'Trans proline' 0 C--N 1.354 0.817 0 O-C-N 118.733 -1.246 . . . . 50.0 109.835 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.49 -5.88 38.3 Favored Glycine 0 CA--C 1.517 0.175 0 CA-C-N 115.65 -0.705 . . . . 50.0 112.124 -169.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.3 t 65.11 82.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 124.151 0.98 . . . . 50.0 112.655 160.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -149.26 135.23 18.93 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.999 1.32 . . . . 75.0 110.92 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.8 t -70.18 85.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.347 -0.612 . . . . 50.0 109.347 169.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.14 -48.32 5.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.701 -0.681 . . . . 75.0 111.432 -177.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -125.99 117.38 48.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.649 -0.871 . . . . 50.0 108.649 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.2 m95 15.48 77.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.168 1.387 . . . . 50.0 114.418 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 18' ' ' ASP . 28.4 p -75.3 162.8 28.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.923 0.868 . . . . 50.0 111.664 -178.322 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' CYS . 17.4 t70 . . . . . 0 C--O 1.215 -0.714 0 N-CA-C 114.148 1.166 . . . . 50.0 114.148 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 108.349 -1.901 . . . . 50.0 108.349 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -142.41 -18.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 116.042 1.868 . . . . 50.0 116.042 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -76.67 -83.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 114.918 1.451 . . . . 75.0 114.918 -170.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.79 -169.46 42.7 Favored Glycine 0 C--O 1.228 -0.276 0 N-CA-C 109.932 -1.267 . . . . 50.0 109.932 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -102.73 155.36 18.37 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 116.061 1.875 . . . . 75.0 116.061 -172.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.96 -127.77 2.36 Favored Glycine 0 C--N 1.33 0.209 0 N-CA-C 115.451 0.94 . . . . 50.0 115.451 167.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -73.13 -162.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.111 -1.07 . . . . 50.0 108.111 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 67.47 134.51 0.04 OUTLIER Pre-proline 0 C--O 1.214 -0.807 0 CA-C-O 122.171 0.986 . . . . 50.0 111.785 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -64.2 121.77 9.53 Favored 'Trans proline' 0 C--N 1.353 0.793 0 N-CA-C 108.935 -1.217 . . . . 50.0 108.935 168.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.93 -10.38 27.37 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.736 -0.665 . . . . 50.0 111.815 -165.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.6 t 62.52 78.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 124.17 0.988 . . . . 50.0 111.324 170.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -151.12 121.48 7.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 125.145 1.378 . . . . 75.0 109.711 176.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.21 113.25 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.447 -1.316 . . . . 50.0 107.447 171.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.15 -51.41 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 75.0 110.495 -175.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.1 mt -117.43 117.32 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.086 -1.079 . . . . 50.0 108.086 174.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER 12.46 79.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 125.321 1.448 . . . . 50.0 114.803 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ASP . 19.8 p -72.34 164.91 25.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.844 0.831 . . . . 50.0 111.611 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 17' ' ' CYS . 44.1 t0 . . . . . 0 C--O 1.216 -0.67 0 N-CA-C 114.334 1.235 . . . . 50.0 114.334 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.153 0 N-CA-C 109.49 -1.444 . . . . 50.0 109.49 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 m -145.12 13.38 1.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 117.431 2.382 . . . . 50.0 117.431 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -83.18 -93.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.232 0.827 . . . . 75.0 113.232 174.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.68 -165.84 41.76 Favored Glycine 0 C--O 1.228 -0.244 0 N-CA-C 110.188 -1.165 . . . . 50.0 110.188 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.574 ' O ' ' HC ' ' A' ' 18' ' ' ASP . 20.2 m95 -104.64 152.66 22.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 115.494 1.665 . . . . 75.0 115.494 -175.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 160.79 -138.97 5.77 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 116.101 -0.5 . . . . 50.0 113.027 173.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -70.81 -160.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.688 -0.856 . . . . 50.0 108.688 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 67.98 135.26 0.04 OUTLIER Pre-proline 0 C--O 1.215 -0.761 0 CA-C-O 122.23 1.014 . . . . 50.0 111.307 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -63.09 129.05 24.5 Favored 'Trans proline' 0 C--N 1.352 0.716 0 N-CA-C 109.045 -1.175 . . . . 50.0 109.045 170.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.03 -10.2 47.61 Favored Glycine 0 CA--C 1.519 0.29 0 CA-C-N 115.628 -0.714 . . . . 50.0 111.7 -166.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.5 t 62.15 79.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 124.231 1.013 . . . . 50.0 111.041 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -155.96 117.3 3.9 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.402 1.081 . . . . 75.0 109.159 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.605 ' HB2' ' HC ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -59.92 126.79 28.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.319 -0.552 . . . . 50.0 110.615 -179.541 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.0 -34.17 64.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.541 0.686 . . . . 75.0 110.183 174.119 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -77.69 177.46 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 108.14 -1.059 . . . . 50.0 108.14 176.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -3.28 2.88 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 115.093 1.516 . . . . 50.0 115.093 -175.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.98 161.49 26.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.924 0.869 . . . . 50.0 109.896 173.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.605 ' HC ' ' HB2' ' A' ' 13' ' ' CYS . 36.8 t70 . . . . . 0 C--O 1.216 -0.692 0 O-C-N 121.494 -0.754 . . . . 50.0 112.667 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.192 0 N-CA-C 110.451 -1.06 . . . . 50.0 110.451 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -152.0 19.3 0.68 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 118.236 2.68 . . . . 50.0 118.236 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -84.19 -85.07 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.333 0.864 . . . . 75.0 113.333 172.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.34 -165.81 40.77 Favored Glycine 0 C--O 1.229 -0.214 0 N-CA-C 110.437 -1.065 . . . . 50.0 110.437 175.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.659 ' O ' ' HC ' ' A' ' 18' ' ' ASP . 29.1 m95 -105.64 153.25 22.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 115.178 1.548 . . . . 75.0 115.178 -176.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.87 -147.53 15.62 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 116.422 -0.353 . . . . 50.0 113.028 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -62.87 -163.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.076 0.55 . . . . 50.0 110.833 172.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 68.61 135.34 0.04 OUTLIER Pre-proline 0 C--O 1.214 -0.785 0 CA-C-O 122.149 0.976 . . . . 50.0 111.063 -178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -62.38 131.3 33.43 Favored 'Trans proline' 0 C--N 1.352 0.761 0 N-CA-C 108.994 -1.195 . . . . 50.0 108.994 171.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.27 -9.22 56.0 Favored Glycine 0 CA--C 1.517 0.201 0 CA-C-N 115.706 -0.679 . . . . 50.0 111.968 -167.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.3 t 63.32 79.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 124.234 1.013 . . . . 50.0 111.423 171.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -156.29 116.71 3.68 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.313 1.045 . . . . 75.0 109.501 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.523 ' HB2' ' HC ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -58.83 127.23 31.17 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.519 -0.473 . . . . 50.0 110.848 -179.752 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.74 -34.47 62.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.552 0.692 . . . . 75.0 110.232 174.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -76.53 176.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 107.967 -1.123 . . . . 50.0 107.967 176.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -1.43 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.973 1.472 . . . . 50.0 114.973 -176.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.67 160.57 29.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.048 0.928 . . . . 50.0 109.945 173.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.659 ' HC ' ' O ' ' A' ' 5' ' ' TRP . 38.2 t70 . . . . . 0 C--O 1.215 -0.722 0 O-C-N 121.484 -0.76 . . . . 50.0 112.663 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.174 0 N-CA-C 111.505 -0.638 . . . . 50.0 111.505 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 t -155.5 -47.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.97 1.47 . . . . 50.0 114.97 -177.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -70.62 -164.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.984 1.105 . . . . 75.0 113.984 -171.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.34 166.03 12.05 Favored Glycine 0 CA--C 1.517 0.201 0 C-N-CA 120.587 -0.816 . . . . 50.0 111.389 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -52.26 143.72 14.15 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.415 1.265 . . . . 75.0 114.415 -172.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.7 -129.66 1.8 Allowed Glycine 0 C--N 1.331 0.25 0 N-CA-C 115.142 0.817 . . . . 50.0 115.142 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -82.19 -164.91 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.1 -0.704 . . . . 50.0 109.1 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.56 143.82 0.1 OUTLIER Pre-proline 0 C--O 1.214 -0.775 0 CA-C-O 122.066 0.936 . . . . 50.0 110.304 -175.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -64.17 120.07 7.31 Favored 'Trans proline' 0 C--N 1.355 0.906 0 O-C-N 119.309 -0.943 . . . . 50.0 111.479 172.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.02 -16.09 9.39 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 114.858 -1.064 . . . . 50.0 111.173 -167.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.5 t 63.0 52.94 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 C-N-CA 123.839 0.855 . . . . 50.0 109.688 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -140.89 112.93 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.756 -0.831 . . . . 75.0 108.756 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -55.25 126.21 23.96 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.728 0.64 . . . . 50.0 112.728 -167.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.61 -44.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.661 . . . . 75.0 111.987 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.3 mt -126.18 117.49 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.986 -0.376 . . . . 50.0 109.986 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 9.7 m95 27.7 62.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 115.618 1.71 . . . . 50.0 115.618 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.7 p -75.06 160.94 29.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.524 1.154 . . . . 50.0 112.928 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 C--O 1.217 -0.646 0 CA-C-N 115.29 -0.868 . . . . 50.0 112.104 173.422 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.567 ' H1 ' ' HB2' ' A' ' 12' ' ' ARG . . . . . . . . 0 N--CA 1.452 -0.235 0 N-CA-C 111.308 -0.717 . . . . 50.0 111.308 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -158.53 -50.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 116.295 1.961 . . . . 50.0 116.295 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -74.4 -169.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.902 0.704 . . . . 75.0 112.902 -170.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.99 167.06 5.97 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 121.064 -0.589 . . . . 50.0 112.013 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -46.33 139.87 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 114.401 1.259 . . . . 75.0 114.401 -171.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.8 -137.59 4.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 50.0 114.871 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -78.07 -173.03 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.923 -0.769 . . . . 50.0 108.923 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.15 140.52 0.08 OUTLIER Pre-proline 0 C--O 1.215 -0.758 0 C-N-CA 124.737 1.215 . . . . 50.0 110.191 -173.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -63.45 122.88 11.19 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 120.869 1.046 . . . . 50.0 110.888 174.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.13 -17.06 9.94 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 114.758 -1.11 . . . . 50.0 111.032 -167.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 t 61.9 48.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 122.122 0.963 . . . . 50.0 109.254 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.567 ' HB2' ' H1 ' ' A' ' 1' ' ' GLY . 36.6 mmt180 -138.83 108.11 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.992 -1.114 . . . . 75.0 107.992 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -54.53 130.86 41.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.337 0.589 . . . . 50.0 112.582 -164.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.31 -45.46 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.804 -0.635 . . . . 75.0 111.674 175.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.2 mt -123.34 117.92 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 122.325 0.25 . . . . 50.0 110.635 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 17.1 m95 28.17 62.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 115.972 1.841 . . . . 50.0 115.972 175.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 19.9 p -74.49 159.79 31.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 122.567 1.175 . . . . 50.0 112.771 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.8 t0 . . . . . 0 C--O 1.216 -0.671 0 CA-C-N 115.375 -0.83 . . . . 50.0 112.185 176.453 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.264 0 N-CA-C 118.602 2.201 . . . . 50.0 118.602 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -157.49 -44.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.716 1.006 . . . . 50.0 113.716 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 50.0 mmt-85 -69.65 -70.7 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 117.679 2.474 . . . . 75.0 117.679 -172.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.41 -130.76 5.68 Favored Glycine 0 C--O 1.228 -0.243 0 CA-C-O 119.836 -0.425 . . . . 50.0 113.307 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.49 ' HD1' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m95 -134.24 145.4 49.12 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.579 0.955 . . . . 75.0 113.579 -178.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 152.49 -152.7 24.36 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 114.577 0.591 . . . . 50.0 114.577 173.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -69.96 172.41 7.87 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 122.788 0.435 . . . . 50.0 110.7 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 78.75 139.87 0.07 OUTLIER Pre-proline 0 C--O 1.213 -0.821 0 C-N-CA 125.556 1.543 . . . . 50.0 111.426 -175.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -63.76 134.94 46.09 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 120.955 1.103 . . . . 50.0 110.415 174.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.52 -24.04 20.96 Favored Glycine 0 N--CA 1.452 -0.264 0 N-CA-C 109.47 -1.452 . . . . 50.0 109.47 -162.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.0 t 61.4 64.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 124.498 1.119 . . . . 50.0 111.283 174.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 tpt85 -156.11 121.34 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.675 0.75 . . . . 75.0 109.167 168.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.55 133.01 36.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.093 -0.958 . . . . 50.0 112.114 -175.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -78.42 -24.29 46.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 75.0 110.403 167.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -179.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 107.844 -1.169 . . . . 50.0 107.844 175.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.99 -6.39 8.46 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 115.57 1.693 . . . . 50.0 115.57 -173.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.48 ' O ' ' HC ' ' A' ' 18' ' ' ASP . 0.1 OUTLIER -64.43 159.69 20.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.893 0.854 . . . . 50.0 110.865 177.309 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.49 ' OD2' ' HD1' ' A' ' 5' ' ' TRP . 48.1 t0 . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 113.65 0.981 . . . . 50.0 113.65 -171.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.2 0 N-CA-C 110.806 -0.918 . . . . 50.0 110.806 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 t -154.43 -46.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 115.324 1.601 . . . . 50.0 115.324 -178.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -68.65 -164.38 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.546 0.943 . . . . 75.0 113.546 -172.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.85 168.03 10.29 Favored Glycine 0 C--O 1.229 -0.198 0 C-N-CA 120.742 -0.742 . . . . 50.0 111.422 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -52.84 144.1 15.28 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 114.009 1.114 . . . . 75.0 114.009 -173.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.47 -129.75 1.83 Allowed Glycine 0 N--CA 1.453 -0.23 0 N-CA-C 115.351 0.9 . . . . 50.0 115.351 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -81.54 -166.29 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.154 -0.684 . . . . 50.0 109.154 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.02 142.64 0.09 OUTLIER Pre-proline 0 C--O 1.215 -0.723 0 CA-C-O 122.112 0.958 . . . . 50.0 110.511 -176.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -63.69 119.9 7.11 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 120.773 0.982 . . . . 50.0 111.102 173.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.51 -15.64 9.84 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 114.986 -1.007 . . . . 50.0 111.335 -167.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 t 62.67 54.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 124.017 0.927 . . . . 50.0 109.824 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -141.12 114.01 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.148 -0.686 . . . . 75.0 109.148 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.0 t -55.71 126.57 26.07 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.65 0.611 . . . . 50.0 112.65 -168.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.47 -44.49 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.627 -0.715 . . . . 75.0 111.825 177.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -125.31 117.16 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.167 -0.309 . . . . 50.0 110.167 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 9.8 m95 27.44 62.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 115.679 1.733 . . . . 50.0 115.679 176.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.0 p -75.1 161.18 29.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 122.515 1.15 . . . . 50.0 113.045 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 C--O 1.216 -0.66 0 CA-C-N 115.378 -0.828 . . . . 50.0 112.02 173.416 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.182 0 CA-C-O 118.992 -0.893 . . . . 50.0 111.535 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.02 -27.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 117.685 2.476 . . . . 50.0 117.685 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -64.85 -70.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 116.383 1.994 . . . . 75.0 116.383 -171.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.04 -173.78 34.52 Favored Glycine 0 C--O 1.227 -0.287 0 N-CA-C 110.698 -0.961 . . . . 50.0 110.698 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -94.94 150.4 20.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 118.99 1.395 . . . . 75.0 114.256 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 168.9 -155.28 25.61 Favored Glycine 0 N--CA 1.452 -0.278 0 N-CA-C 116.354 1.301 . . . . 50.0 116.354 172.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -85.5 -12.78 50.94 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 114.54 1.311 . . . . 50.0 114.54 -172.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -66.39 137.36 95.38 Favored Pre-proline 0 C--O 1.215 -0.725 0 CA-C-O 121.2 0.524 . . . . 50.0 109.985 177.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -63.47 140.56 76.63 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 120.656 0.904 . . . . 50.0 109.885 170.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.8 -3.06 82.92 Favored Glycine 0 N--CA 1.453 -0.231 0 N-CA-C 111.324 -0.71 . . . . 50.0 111.324 -164.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.1 t 68.6 92.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 125.052 1.341 . . . . 50.0 111.276 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.15 150.92 13.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.537 -0.756 . . . . 75.0 112.852 174.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.7 t -79.05 122.37 26.12 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.584 -0.697 . . . . 50.0 109.638 166.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.44 -48.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.496 -0.32 . . . . 75.0 110.359 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.5 mt -125.4 118.18 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.775 -0.454 . . . . 50.0 109.775 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.8 m95 30.09 60.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 115.786 1.773 . . . . 50.0 115.786 177.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.1 p -75.16 164.01 26.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 122.361 1.076 . . . . 50.0 112.036 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.9 t0 . . . . . 0 C--O 1.217 -0.616 0 CA-C-N 115.72 -0.673 . . . . 50.0 111.923 170.15 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.201 0 N-CA-C 122.615 3.806 . . . . 50.0 122.615 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.79 -45.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.315 -0.942 . . . . 50.0 113.21 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -89.79 -99.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 115.402 1.63 . . . . 75.0 115.402 -174.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.93 -165.34 37.3 Favored Glycine 0 C--O 1.227 -0.317 0 N-CA-C 111.299 -0.72 . . . . 50.0 111.299 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.8 m95 -96.09 144.5 26.29 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 117.566 2.432 . . . . 75.0 117.566 -163.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.2 -126.25 1.29 Allowed Glycine 0 N--CA 1.452 -0.234 0 N-CA-C 115.114 0.805 . . . . 50.0 115.114 169.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -113.96 -41.92 3.47 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 117.081 2.252 . . . . 50.0 117.081 -150.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.26 147.37 79.44 Favored Pre-proline 0 C--O 1.215 -0.758 0 CA-C-O 121.394 0.616 . . . . 50.0 110.176 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -58.44 136.84 76.97 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 121.157 1.238 . . . . 50.0 111.033 -178.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.25 -15.74 57.47 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 115.024 -0.989 . . . . 50.0 110.811 -164.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.8 t 71.62 96.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 124.822 1.249 . . . . 50.0 112.663 169.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -164.84 149.76 9.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.862 0.865 . . . . 75.0 109.296 167.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.99 118.35 8.34 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.158 -1.053 . . . . 50.0 108.158 166.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.46 -50.61 0.86 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 75.0 110.768 -176.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -131.14 119.04 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.105 -0.702 . . . . 50.0 109.105 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 21.2 m95 32.35 60.52 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 114.861 1.43 . . . . 50.0 114.861 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.0 p -76.67 164.33 26.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 122.478 1.133 . . . . 50.0 113.724 -177.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.8 t0 . . . . . 0 C--O 1.217 -0.615 0 CA-C-N 115.268 -0.878 . . . . 50.0 111.873 170.182 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.241 0 N-CA-C 116.144 1.218 . . . . 50.0 116.144 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -167.51 51.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 114.148 1.166 . . . . 50.0 114.148 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -95.47 -107.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.422 0.897 . . . . 75.0 113.422 165.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.59 136.76 13.14 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 112.179 -0.368 . . . . 50.0 112.179 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.712 ' O ' ' HC ' ' A' ' 18' ' ' ASP . 16.6 m95 -61.63 147.83 44.46 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 115.743 1.757 . . . . 75.0 115.743 -154.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.87 -135.8 3.66 Favored Glycine 0 N--CA 1.452 -0.268 0 N-CA-C 114.131 0.413 . . . . 50.0 114.131 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -75.29 -165.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.995 -0.742 . . . . 50.0 108.995 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 66.23 133.72 0.04 OUTLIER Pre-proline 0 C--O 1.214 -0.781 0 CA-C-O 122.434 1.111 . . . . 50.0 111.095 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -61.78 129.48 27.81 Favored 'Trans proline' 0 C--N 1.352 0.727 0 N-CA-C 108.981 -1.2 . . . . 50.0 108.981 171.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.17 -10.46 51.12 Favored Glycine 0 CA--C 1.518 0.276 0 CA-C-N 115.484 -0.78 . . . . 50.0 112.108 -168.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.4 t 68.55 80.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 124.622 1.169 . . . . 50.0 112.823 166.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.64 125.5 12.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.353 -0.84 . . . . 75.0 111.673 177.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.95 105.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.783 -0.644 . . . . 50.0 111.243 176.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.8 -27.98 66.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.976 0.417 . . . . 75.0 111.425 175.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 mt -84.55 170.99 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 106.854 -1.536 . . . . 50.0 106.854 175.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.24 76.07 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.966 0.888 . . . . 50.0 109.786 175.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.3 p -153.29 174.8 13.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.254 -0.884 . . . . 50.0 109.61 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.712 ' HC ' ' O ' ' A' ' 5' ' ' TRP . 66.8 t0 . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 113.571 0.952 . . . . 50.0 113.571 -175.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.16 0 N-CA-C 112.003 -0.439 . . . . 50.0 112.003 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -107.68 -19.47 13.53 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 117.042 2.238 . . . . 50.0 117.042 -172.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -79.82 -167.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 O-C-N 122.345 -0.222 . . . . 75.0 111.513 -177.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.7 159.13 13.04 Favored Glycine 0 N--CA 1.453 -0.218 0 N-CA-C 117.86 1.904 . . . . 50.0 117.86 -167.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -69.31 154.66 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 116.628 2.085 . . . . 75.0 116.628 -139.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 173.29 -155.81 23.21 Favored Glycine 0 C--N 1.331 0.255 0 N-CA-C 115.181 0.833 . . . . 50.0 115.181 175.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -84.76 -16.67 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 116.378 1.992 . . . . 50.0 116.378 -173.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -62.96 137.93 97.12 Favored Pre-proline 0 C--O 1.214 -0.784 0 N-CA-C 109.15 -0.685 . . . . 50.0 109.15 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -60.08 137.66 76.95 Favored 'Trans proline' 0 C--N 1.351 0.695 0 N-CA-C 109.652 -0.942 . . . . 50.0 109.652 171.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.96 -7.45 62.71 Favored Glycine 0 CA--C 1.518 0.281 0 CA-C-N 115.478 -0.783 . . . . 50.0 111.838 -162.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.1 t 66.87 71.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 124.934 1.294 . . . . 50.0 111.201 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -142.88 139.99 31.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.301 -0.863 . . . . 75.0 111.649 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -74.24 119.33 18.3 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.524 -0.735 . . . . 50.0 110.079 170.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.8 -49.51 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 75.0 110.725 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -124.15 117.71 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.824 -0.436 . . . . 50.0 109.824 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.0 m95 31.48 59.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 115.835 1.791 . . . . 50.0 115.835 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.2 p -73.44 162.96 28.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.303 1.049 . . . . 50.0 111.819 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.217 -0.621 0 CA-C-N 115.778 -0.647 . . . . 50.0 112.05 173.586 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.177 0 CA-C-O 119.73 -0.483 . . . . 50.0 112.114 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 m -114.8 -13.95 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 117.456 2.391 . . . . 50.0 117.456 -170.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 37.9 mmt-85 -82.48 -154.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.433 0.531 . . . . 75.0 112.433 -178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.72 158.24 40.7 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 116.902 1.521 . . . . 50.0 116.902 -172.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -67.7 155.43 39.24 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 116.4 2.0 . . . . 75.0 116.4 -143.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.23 -141.91 6.17 Favored Glycine 0 N--CA 1.453 -0.226 0 N-CA-C 116.564 1.385 . . . . 50.0 116.564 174.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -98.43 -25.42 14.8 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 114.916 1.45 . . . . 50.0 114.916 -169.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -60.74 139.07 93.37 Favored Pre-proline 0 C--O 1.215 -0.754 0 N-CA-C 109.227 -0.657 . . . . 50.0 109.227 174.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -60.42 139.81 88.41 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 120.749 0.966 . . . . 50.0 110.058 172.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.41 -6.2 68.12 Favored Glycine 0 N--CA 1.453 -0.202 0 CA-C-N 115.64 -0.709 . . . . 50.0 111.697 -161.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 t 65.87 72.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 125.028 1.331 . . . . 50.0 111.229 175.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -143.35 137.55 28.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.37 -0.832 . . . . 75.0 112.114 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.5 t -74.29 118.58 17.41 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.292 -0.88 . . . . 50.0 109.826 173.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.63 -49.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 75.0 111.221 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -124.06 117.5 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.766 -0.457 . . . . 50.0 109.766 177.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.1 m95 29.12 60.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 115.417 1.636 . . . . 50.0 115.417 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.5 p -75.54 160.85 29.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 122.086 0.946 . . . . 50.0 112.5 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 C--O 1.215 -0.729 0 N-CA-C 114.05 1.13 . . . . 50.0 114.05 174.896 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.282 0 N-CA-C 118.314 2.086 . . . . 50.0 118.314 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -164.63 22.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 114.764 1.394 . . . . 50.0 114.764 175.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -91.5 -133.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 75.0 111.069 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.11 132.91 45.92 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.725 -0.75 . . . . 50.0 111.996 -177.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -64.87 150.76 47.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 116.742 2.127 . . . . 75.0 116.742 -163.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.73 -120.36 0.85 Allowed Glycine 0 CA--C 1.518 0.256 0 N-CA-C 115.355 0.902 . . . . 50.0 115.355 175.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -77.6 -158.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.343 -0.984 . . . . 50.0 108.343 177.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 67.67 135.38 0.04 OUTLIER Pre-proline 0 C--O 1.214 -0.789 0 CA-C-O 122.437 1.113 . . . . 50.0 112.113 174.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -64.47 124.24 13.01 Favored 'Trans proline' 0 C--N 1.353 0.784 0 O-C-N 118.974 -1.119 . . . . 50.0 109.598 163.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.08 -11.73 37.4 Favored Glycine 0 CA--C 1.518 0.225 0 CA-C-N 115.579 -0.737 . . . . 50.0 111.787 -168.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 t 67.81 87.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 124.521 1.128 . . . . 50.0 113.148 171.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -144.7 130.54 19.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.834 -1.075 . . . . 75.0 111.174 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.5 t -62.67 108.39 1.15 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.282 -1.007 . . . . 50.0 108.282 169.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.79 -48.77 1.89 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.892 -0.595 . . . . 75.0 109.959 -175.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.0 mt -122.72 114.96 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.209 -1.034 . . . . 50.0 108.209 174.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.5 m95 20.02 76.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 114.84 1.422 . . . . 50.0 114.84 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.4 p -74.81 163.48 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.393 1.092 . . . . 50.0 112.351 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.2 t0 . . . . . 0 C--O 1.216 -0.666 0 CA-C-N 115.655 -0.702 . . . . 50.0 112.206 176.646 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.232 0 N-CA-C 117.537 1.775 . . . . 50.0 117.537 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -161.82 -8.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 115.642 1.719 . . . . 50.0 115.642 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -74.82 -82.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 116.194 1.924 . . . . 75.0 116.194 -172.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.49 -165.26 40.3 Favored Glycine 0 C--O 1.227 -0.311 0 N-CA-C 109.901 -1.279 . . . . 50.0 109.901 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -108.47 146.8 32.6 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 114.664 1.357 . . . . 75.0 114.664 -175.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 168.91 -143.1 7.81 Favored Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 112.076 -0.41 . . . . 50.0 112.076 175.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -76.73 -139.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.099 -1.074 . . . . 50.0 108.099 172.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 64.27 135.27 0.04 OUTLIER Pre-proline 0 C--O 1.212 -0.876 0 CA-C-O 122.404 1.097 . . . . 50.0 111.21 -176.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -64.82 114.6 2.83 Favored 'Trans proline' 0 C--N 1.354 0.833 0 N-CA-C 108.287 -1.466 . . . . 50.0 108.287 164.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.09 -11.06 11.71 Favored Glycine 0 CA--C 1.517 0.193 0 CA-C-N 115.591 -0.731 . . . . 50.0 112.94 -169.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.6 t 65.15 86.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 124.108 0.963 . . . . 50.0 111.672 175.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.59 131.63 4.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.315 -0.857 . . . . 75.0 109.573 176.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.5 t -61.9 116.09 4.58 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.873 -0.417 . . . . 50.0 109.873 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -120.96 -48.76 2.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 75.0 111.064 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.1 mt -122.7 116.12 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 107.901 -1.148 . . . . 50.0 107.901 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 9.98 79.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.44 1.496 . . . . 50.0 114.521 -178.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.7 p -76.05 163.87 26.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 122.05 0.928 . . . . 50.0 112.238 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 C--O 1.216 -0.7 0 N-CA-C 113.375 0.88 . . . . 50.0 113.375 178.72 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.469 ' H1 ' ' HB2' ' A' ' 12' ' ' ARG . . . . . . . . 0 CA--C 1.518 0.234 0 N-CA-C 108.113 -1.995 . . . . 50.0 108.113 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -98.19 -22.07 16.37 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 116.598 2.073 . . . . 50.0 116.598 -174.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -89.69 -154.56 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.839 0.681 . . . . 75.0 112.839 -170.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.78 173.9 37.08 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.191 -0.528 . . . . 50.0 112.066 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -54.44 146.04 16.93 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 114.247 1.203 . . . . 75.0 114.247 -175.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 163.23 -128.3 1.82 Allowed Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 115.815 1.086 . . . . 50.0 115.815 173.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -80.84 -169.17 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.554 -0.906 . . . . 50.0 108.554 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.07 145.36 0.11 Allowed Pre-proline 0 C--O 1.215 -0.725 0 C-N-CA 124.236 1.014 . . . . 50.0 110.404 -175.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.6 121.2 8.7 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 120.895 1.063 . . . . 50.0 111.028 172.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.03 -12.74 12.92 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.288 -0.869 . . . . 50.0 111.817 -167.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t 62.38 44.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 124.093 0.957 . . . . 50.0 110.611 176.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.469 ' HB2' ' H1 ' ' A' ' 1' ' ' GLY . 1.1 mpt_? -135.92 114.12 11.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.639 -0.709 . . . . 75.0 109.68 176.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -56.98 127.93 34.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.536 0.569 . . . . 50.0 112.536 -169.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.74 -45.35 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 75.0 110.933 175.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -125.15 121.64 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.533 -0.543 . . . . 50.0 109.533 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.0 m95 19.49 80.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 116.307 1.965 . . . . 50.0 116.307 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -77.42 159.69 29.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 122.341 1.067 . . . . 50.0 111.981 173.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.3 t0 . . . . . 0 C--O 1.217 -0.611 0 CA-C-N 115.744 -0.662 . . . . 50.0 111.955 171.56 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 103.289 -3.924 . . . . 25.0 103.289 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m -134.15 -13.14 2.44 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 117.241 2.312 . . . . 25.0 117.241 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -74.2 -91.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 114.761 1.393 . . . . 25.0 114.761 -172.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.33 -165.19 40.6 Favored Glycine 0 C--O 1.228 -0.272 0 N-CA-C 110.11 -1.196 . . . . 25.0 110.11 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -105.2 154.4 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 114.701 1.371 . . . . 25.0 114.701 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 159.45 -83.84 0.13 Allowed Glycine 0 C--N 1.33 0.247 0 N-CA-C 117.159 1.624 . . . . 25.0 117.159 164.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -122.74 -173.38 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.96 0.904 . . . . 25.0 109.594 -173.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 66.46 144.99 0.09 OUTLIER Pre-proline 0 C--O 1.214 -0.778 0 CA-C-O 122.188 0.994 . . . . 25.0 111.203 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.22 116.91 4.01 Favored 'Trans proline' 0 C--N 1.354 0.841 0 O-C-N 119.003 -1.104 . . . . 25.0 110.0 173.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.82 -19.73 8.33 Favored Glycine 0 N--CA 1.453 -0.227 0 N-CA-C 110.892 -0.883 . . . . 25.0 110.892 -165.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.0 t 62.03 81.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 124.454 1.102 . . . . 25.0 111.238 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.41 124.28 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 125.027 1.331 . . . . 25.0 108.199 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.5 t -61.96 103.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.13 -50.84 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.199 -175.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.1 mt -126.02 115.71 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 108.382 -0.969 . . . . 25.0 108.382 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 m95 20.76 73.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 124.953 1.301 . . . . 25.0 114.253 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.5 p -74.29 163.68 27.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.173 0.987 . . . . 25.0 112.199 -177.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.214 -0.766 0 CA-C-N 115.339 -0.846 . . . . 25.0 113.216 178.834 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.312 0 N-CA-C 115.354 0.902 . . . . 25.0 115.354 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.6 m -151.72 16.8 0.69 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 115.694 1.739 . . . . 25.0 115.694 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -86.53 -136.46 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.702 0.401 . . . . 25.0 110.939 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.86 129.62 38.76 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 121.106 -0.569 . . . . 25.0 114.331 -177.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -59.13 150.92 23.84 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 116.947 2.203 . . . . 25.0 116.947 -158.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.46 -125.79 1.27 Allowed Glycine 0 CA--C 1.518 0.239 0 N-CA-C 114.748 0.659 . . . . 25.0 114.748 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -80.1 -159.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.837 -0.801 . . . . 25.0 108.837 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 65.98 135.83 0.04 OUTLIER Pre-proline 0 C--O 1.214 -0.785 0 CA-C-O 122.615 1.198 . . . . 25.0 111.632 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -63.81 122.98 11.24 Favored 'Trans proline' 0 C--N 1.353 0.796 0 O-C-N 118.88 -1.169 . . . . 25.0 109.559 171.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.44 -9.68 35.66 Favored Glycine 0 CA--C 1.517 0.213 0 CA-C-N 115.272 -0.876 . . . . 25.0 112.136 -169.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.0 t 67.89 82.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 124.54 1.136 . . . . 25.0 113.505 166.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.61 137.24 20.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.201 -0.909 . . . . 25.0 109.413 174.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.7 t -69.43 84.02 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.045 0.45 . . . . 25.0 110.517 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.37 -45.92 7.25 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.059 0.544 . . . . 25.0 111.756 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.3 mt -129.65 113.78 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.96 -0.385 . . . . 25.0 109.96 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 12.5 m95 27.06 63.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 114.846 1.424 . . . . 25.0 114.846 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.1 p -72.72 162.09 29.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 122.573 1.178 . . . . 25.0 113.337 -175.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.6 t0 . . . . . 0 C--O 1.217 -0.64 0 CA-C-N 115.295 -0.866 . . . . 25.0 111.996 172.486 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.182 0 N-CA-C 109.669 -1.372 . . . . 25.0 109.669 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -143.92 -4.66 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 116.602 2.075 . . . . 25.0 116.602 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -82.61 -125.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.219 0.451 . . . . 25.0 112.219 -177.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.59 178.83 23.06 Favored Glycine 0 C--O 1.228 -0.278 0 N-CA-C 110.956 -0.858 . . . . 25.0 110.956 176.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -86.0 156.94 20.24 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 117.077 2.251 . . . . 25.0 117.077 -163.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.413 ' H ' HG12 ' A' ' 11' ' ' VAL . . . 156.84 -130.07 2.57 Favored Glycine 0 CA--C 1.518 0.248 0 N-CA-C 115.836 1.094 . . . . 25.0 115.836 168.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -75.56 -168.86 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.199 1.0 . . . . 25.0 109.983 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 67.92 138.09 0.05 OUTLIER Pre-proline 0 C--O 1.214 -0.807 0 CA-C-O 122.162 0.982 . . . . 25.0 111.634 173.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -62.74 121.95 10.07 Favored 'Trans proline' 0 C--N 1.354 0.833 0 O-C-N 118.9 -1.158 . . . . 25.0 109.554 172.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.04 -6.51 32.56 Favored Glycine 0 CA--C 1.517 0.202 0 CA-C-N 115.583 -0.735 . . . . 25.0 112.118 -168.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 6' ' ' GLY . 18.7 t 64.97 77.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 124.045 0.938 . . . . 25.0 111.545 163.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -150.3 127.58 11.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.762 -1.108 . . . . 25.0 111.631 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.2 t -66.95 99.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.628 -0.878 . . . . 25.0 108.628 170.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.98 -49.02 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.921 -0.581 . . . . 25.0 111.215 -176.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.2 mt -122.21 117.07 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.353 -0.98 . . . . 25.0 108.353 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER 13.8 78.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.221 1.408 . . . . 25.0 114.572 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 18' ' ' ASP . 26.8 p -75.61 158.71 32.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 122.058 0.932 . . . . 25.0 112.389 -177.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' CYS . 38.0 t70 . . . . . 0 C--O 1.214 -0.768 0 N-CA-C 114.119 1.155 . . . . 25.0 114.119 176.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 108.062 -2.015 . . . . 25.0 108.062 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -140.07 -14.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 115.227 1.565 . . . . 25.0 115.227 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -78.39 -128.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.751 0.648 . . . . 25.0 112.751 -173.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.61 178.42 19.24 Favored Glycine 0 C--O 1.227 -0.325 0 N-CA-C 111.275 -0.73 . . . . 25.0 111.275 177.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -83.54 157.1 22.48 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 117.527 2.417 . . . . 25.0 117.527 -164.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.417 ' H ' HG12 ' A' ' 11' ' ' VAL . . . 155.92 -131.55 3.08 Favored Glycine 0 CA--C 1.518 0.237 0 N-CA-C 115.366 0.907 . . . . 25.0 115.366 167.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -73.95 -168.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.259 1.024 . . . . 25.0 110.321 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 68.12 137.26 0.05 OUTLIER Pre-proline 0 C--O 1.214 -0.805 0 CA-C-O 122.102 0.953 . . . . 25.0 111.747 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.13 119.01 5.93 Favored 'Trans proline' 0 C--N 1.354 0.857 0 O-C-N 118.759 -1.232 . . . . 25.0 109.298 171.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.79 -9.69 21.39 Favored Glycine 0 CA--C 1.517 0.166 0 CA-C-N 115.69 -0.686 . . . . 25.0 111.861 -166.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.417 HG12 ' H ' ' A' ' 6' ' ' GLY . 15.7 t 63.82 76.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.184 0.994 . . . . 25.0 111.47 166.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -150.6 126.72 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.801 -1.091 . . . . 25.0 111.478 176.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.3 t -63.61 103.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.85 -0.796 . . . . 25.0 108.85 169.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.69 -49.01 2.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.502 . . . . 25.0 111.034 -176.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.7 mt -123.8 115.62 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.977 -0.749 . . . . 25.0 108.977 176.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.7 m95 20.93 73.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 125.037 1.335 . . . . 25.0 114.602 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.8 p -75.48 163.25 27.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 122.392 1.091 . . . . 25.0 112.478 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.3 t0 . . . . . 0 C--O 1.218 -0.601 0 CA-C-N 115.582 -0.735 . . . . 25.0 111.904 169.195 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.252 0 N-CA-C 110.156 -1.178 . . . . 25.0 110.156 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -147.43 -15.72 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 115.495 1.665 . . . . 25.0 115.495 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -83.61 -118.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.028 0.751 . . . . 25.0 113.028 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.93 177.57 23.03 Favored Glycine 0 C--O 1.227 -0.332 0 N-CA-C 110.73 -0.948 . . . . 25.0 110.73 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -95.52 155.26 16.82 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 116.797 2.147 . . . . 25.0 116.797 -164.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.413 ' H ' HG12 ' A' ' 11' ' ' VAL . . . 164.4 -103.59 0.21 Allowed Glycine 0 C--N 1.331 0.29 0 N-CA-C 116.584 1.393 . . . . 25.0 116.584 169.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -106.59 -169.66 1.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 124.656 1.183 . . . . 25.0 109.115 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.01 141.91 0.07 OUTLIER Pre-proline 0 C--O 1.214 -0.783 0 CA-C-O 122.3 1.048 . . . . 25.0 111.091 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -63.13 121.47 9.33 Favored 'Trans proline' 0 C--N 1.354 0.817 0 O-C-N 118.733 -1.246 . . . . 25.0 109.835 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.49 -5.88 38.3 Favored Glycine 0 CA--C 1.517 0.175 0 CA-C-N 115.65 -0.705 . . . . 25.0 112.124 -169.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 6' ' ' GLY . 17.3 t 65.11 82.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 124.151 0.98 . . . . 25.0 112.655 160.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -149.26 135.23 18.93 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.999 1.32 . . . . 25.0 110.92 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.8 t -70.18 85.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 169.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.14 -48.32 5.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.701 -0.681 . . . . 25.0 111.432 -177.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -125.99 117.38 48.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.2 m95 15.48 77.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.168 1.387 . . . . 25.0 114.418 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 18' ' ' ASP . 28.4 p -75.3 162.8 28.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.923 0.868 . . . . 25.0 111.664 -178.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' CYS . 17.4 t70 . . . . . 0 C--O 1.215 -0.714 0 N-CA-C 114.148 1.166 . . . . 25.0 114.148 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 108.349 -1.901 . . . . 25.0 108.349 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -142.41 -18.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 116.042 1.868 . . . . 25.0 116.042 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.402 ' HB2' ' HE ' ' A' ' 12' ' ' ARG . 8.1 mmt180 -76.67 -83.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 114.918 1.451 . . . . 25.0 114.918 -170.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.79 -169.46 42.7 Favored Glycine 0 C--O 1.228 -0.276 0 N-CA-C 109.932 -1.267 . . . . 25.0 109.932 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -102.73 155.36 18.37 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 116.061 1.875 . . . . 25.0 116.061 -172.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.96 -127.77 2.36 Favored Glycine 0 C--N 1.33 0.209 0 N-CA-C 115.451 0.94 . . . . 25.0 115.451 167.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -73.13 -162.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.111 -1.07 . . . . 25.0 108.111 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 67.47 134.51 0.04 OUTLIER Pre-proline 0 C--O 1.214 -0.807 0 CA-C-O 122.171 0.986 . . . . 25.0 111.785 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -64.2 121.77 9.53 Favored 'Trans proline' 0 C--N 1.353 0.793 0 N-CA-C 108.935 -1.217 . . . . 25.0 108.935 168.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.93 -10.38 27.37 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.736 -0.665 . . . . 25.0 111.815 -165.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.6 t 62.52 78.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 124.17 0.988 . . . . 25.0 111.324 170.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' HE ' ' HB2' ' A' ' 3' ' ' ARG . 4.8 tpt85 -151.12 121.48 7.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 125.145 1.378 . . . . 25.0 109.711 176.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.21 113.25 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.447 -1.316 . . . . 25.0 107.447 171.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.15 -51.41 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 25.0 110.495 -175.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.1 mt -117.43 117.32 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 174.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER 12.46 79.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 125.321 1.448 . . . . 25.0 114.803 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ASP . 19.8 p -72.34 164.91 25.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.844 0.831 . . . . 25.0 111.611 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 17' ' ' CYS . 44.1 t0 . . . . . 0 C--O 1.216 -0.67 0 N-CA-C 114.334 1.235 . . . . 25.0 114.334 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.153 0 N-CA-C 109.49 -1.444 . . . . 25.0 109.49 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 m -145.12 13.38 1.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 117.431 2.382 . . . . 25.0 117.431 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -83.18 -93.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 174.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.68 -165.84 41.76 Favored Glycine 0 C--O 1.228 -0.244 0 N-CA-C 110.188 -1.165 . . . . 25.0 110.188 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -104.64 152.66 22.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 115.494 1.665 . . . . 25.0 115.494 -175.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 160.79 -138.97 5.77 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 116.101 -0.5 . . . . 25.0 113.027 173.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -70.81 -160.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 67.98 135.26 0.04 OUTLIER Pre-proline 0 C--O 1.215 -0.761 0 CA-C-O 122.23 1.014 . . . . 25.0 111.307 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -63.09 129.05 24.5 Favored 'Trans proline' 0 C--N 1.352 0.716 0 N-CA-C 109.045 -1.175 . . . . 25.0 109.045 170.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.03 -10.2 47.61 Favored Glycine 0 CA--C 1.519 0.29 0 CA-C-N 115.628 -0.714 . . . . 25.0 111.7 -166.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.5 t 62.15 79.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 124.231 1.013 . . . . 25.0 111.041 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -155.96 117.3 3.9 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.402 1.081 . . . . 25.0 109.159 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 126.79 28.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.319 -0.552 . . . . 25.0 110.615 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.0 -34.17 64.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.541 0.686 . . . . 25.0 110.183 174.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.412 HG13 ' H ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -77.69 177.46 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 176.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -3.28 2.88 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 115.093 1.516 . . . . 25.0 115.093 -175.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.98 161.49 26.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.924 0.869 . . . . 25.0 109.896 173.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 C--O 1.216 -0.692 0 O-C-N 121.494 -0.754 . . . . 25.0 112.667 -176.785 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.192 0 N-CA-C 110.451 -1.06 . . . . 25.0 110.451 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -152.0 19.3 0.68 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 118.236 2.68 . . . . 25.0 118.236 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -84.19 -85.07 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.333 0.864 . . . . 25.0 113.333 172.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.34 -165.81 40.77 Favored Glycine 0 C--O 1.229 -0.214 0 N-CA-C 110.437 -1.065 . . . . 25.0 110.437 175.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -105.64 153.25 22.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 115.178 1.548 . . . . 25.0 115.178 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.87 -147.53 15.62 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 116.422 -0.353 . . . . 25.0 113.028 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -62.87 -163.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.076 0.55 . . . . 25.0 110.833 172.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 68.61 135.34 0.04 OUTLIER Pre-proline 0 C--O 1.214 -0.785 0 CA-C-O 122.149 0.976 . . . . 25.0 111.063 -178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -62.38 131.3 33.43 Favored 'Trans proline' 0 C--N 1.352 0.761 0 N-CA-C 108.994 -1.195 . . . . 25.0 108.994 171.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.27 -9.22 56.0 Favored Glycine 0 CA--C 1.517 0.201 0 CA-C-N 115.706 -0.679 . . . . 25.0 111.968 -167.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.3 t 63.32 79.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 124.234 1.013 . . . . 25.0 111.423 171.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -156.29 116.71 3.68 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.313 1.045 . . . . 25.0 109.501 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 127.23 31.17 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.519 -0.473 . . . . 25.0 110.848 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.74 -34.47 62.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.552 0.692 . . . . 25.0 110.232 174.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.416 HG13 ' H ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -76.53 176.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 176.53 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -1.43 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.973 1.472 . . . . 25.0 114.973 -176.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.67 160.57 29.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.048 0.928 . . . . 25.0 109.945 173.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 . . . . . 0 C--O 1.215 -0.722 0 O-C-N 121.484 -0.76 . . . . 25.0 112.663 -177.055 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.174 0 N-CA-C 111.505 -0.638 . . . . 25.0 111.505 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 t -155.5 -47.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.97 1.47 . . . . 25.0 114.97 -177.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -70.62 -164.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.984 1.105 . . . . 25.0 113.984 -171.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.34 166.03 12.05 Favored Glycine 0 CA--C 1.517 0.201 0 C-N-CA 120.587 -0.816 . . . . 25.0 111.389 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -52.26 143.72 14.15 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.415 1.265 . . . . 25.0 114.415 -172.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.7 -129.66 1.8 Allowed Glycine 0 C--N 1.331 0.25 0 N-CA-C 115.142 0.817 . . . . 25.0 115.142 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -82.19 -164.91 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.56 143.82 0.1 OUTLIER Pre-proline 0 C--O 1.214 -0.775 0 CA-C-O 122.066 0.936 . . . . 25.0 110.304 -175.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -64.17 120.07 7.31 Favored 'Trans proline' 0 C--N 1.355 0.906 0 O-C-N 119.309 -0.943 . . . . 25.0 111.479 172.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.02 -16.09 9.39 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 114.858 -1.064 . . . . 25.0 111.173 -167.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.5 t 63.0 52.94 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 C-N-CA 123.839 0.855 . . . . 25.0 109.688 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -140.89 112.93 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.756 -0.831 . . . . 25.0 108.756 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -55.25 126.21 23.96 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 -167.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.61 -44.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.661 . . . . 25.0 111.987 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.3 mt -126.18 117.49 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.986 -0.376 . . . . 25.0 109.986 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 9.7 m95 27.7 62.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 115.618 1.71 . . . . 25.0 115.618 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.7 p -75.06 160.94 29.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.524 1.154 . . . . 25.0 112.928 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 C--O 1.217 -0.646 0 CA-C-N 115.29 -0.868 . . . . 25.0 112.104 173.422 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 N-CA-C 111.308 -0.717 . . . . 25.0 111.308 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -158.53 -50.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 116.295 1.961 . . . . 25.0 116.295 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -74.4 -169.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 -170.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.99 167.06 5.97 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 121.064 -0.589 . . . . 25.0 112.013 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -46.33 139.87 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 114.401 1.259 . . . . 25.0 114.401 -171.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.8 -137.59 4.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 25.0 114.871 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.425 ' H ' ' HB3' ' A' ' 17' ' ' CYS . 3.1 m-85 -78.07 -173.03 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.15 140.52 0.08 OUTLIER Pre-proline 0 C--O 1.215 -0.758 0 C-N-CA 124.737 1.215 . . . . 25.0 110.191 -173.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -63.45 122.88 11.19 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 120.869 1.046 . . . . 25.0 110.888 174.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.13 -17.06 9.94 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 114.758 -1.11 . . . . 25.0 111.032 -167.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 t 61.9 48.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 122.122 0.963 . . . . 25.0 109.254 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -138.83 108.11 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -54.53 130.86 41.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.337 0.589 . . . . 25.0 112.582 -164.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.31 -45.46 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.804 -0.635 . . . . 25.0 111.674 175.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.2 mt -123.34 117.92 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 122.325 0.25 . . . . 25.0 110.635 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 17.1 m95 28.17 62.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 115.972 1.841 . . . . 25.0 115.972 175.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.425 ' HB3' ' H ' ' A' ' 7' ' ' PHE . 19.9 p -74.49 159.79 31.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 122.567 1.175 . . . . 25.0 112.771 177.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.8 t0 . . . . . 0 C--O 1.216 -0.671 0 CA-C-N 115.375 -0.83 . . . . 25.0 112.185 176.453 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.264 0 N-CA-C 118.602 2.201 . . . . 25.0 118.602 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -157.49 -44.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.716 1.006 . . . . 25.0 113.716 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 50.0 mmt-85 -69.65 -70.7 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 117.679 2.474 . . . . 25.0 117.679 -172.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.41 -130.76 5.68 Favored Glycine 0 C--O 1.228 -0.243 0 CA-C-O 119.836 -0.425 . . . . 25.0 113.307 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.482 ' HD1' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m95 -134.24 145.4 49.12 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.579 0.955 . . . . 25.0 113.579 -178.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 152.49 -152.7 24.36 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 114.577 0.591 . . . . 25.0 114.577 173.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -69.96 172.41 7.87 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 122.788 0.435 . . . . 25.0 110.7 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 78.75 139.87 0.07 OUTLIER Pre-proline 0 C--O 1.213 -0.821 0 C-N-CA 125.556 1.543 . . . . 25.0 111.426 -175.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -63.76 134.94 46.09 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 120.955 1.103 . . . . 25.0 110.415 174.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.52 -24.04 20.96 Favored Glycine 0 N--CA 1.452 -0.264 0 N-CA-C 109.47 -1.452 . . . . 25.0 109.47 -162.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 5' ' ' TRP . 5.0 t 61.4 64.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 124.498 1.119 . . . . 25.0 111.283 174.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 tpt85 -156.11 121.34 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.675 0.75 . . . . 25.0 109.167 168.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.55 133.01 36.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.093 -0.958 . . . . 25.0 112.114 -175.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -78.42 -24.29 46.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.403 167.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -179.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 107.844 -1.169 . . . . 25.0 107.844 175.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.99 -6.39 8.46 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 115.57 1.693 . . . . 25.0 115.57 -173.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' ASP . 0.1 OUTLIER -64.43 159.69 20.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.893 0.854 . . . . 25.0 110.865 177.309 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.482 ' OD2' ' HD1' ' A' ' 5' ' ' TRP . 48.1 t0 . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 113.65 0.981 . . . . 25.0 113.65 -171.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.2 0 N-CA-C 110.806 -0.918 . . . . 25.0 110.806 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 t -154.43 -46.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 115.324 1.601 . . . . 25.0 115.324 -178.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -68.65 -164.38 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.546 0.943 . . . . 25.0 113.546 -172.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.85 168.03 10.29 Favored Glycine 0 C--O 1.229 -0.198 0 C-N-CA 120.742 -0.742 . . . . 25.0 111.422 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -52.84 144.1 15.28 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 114.009 1.114 . . . . 25.0 114.009 -173.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.47 -129.75 1.83 Allowed Glycine 0 N--CA 1.453 -0.23 0 N-CA-C 115.351 0.9 . . . . 25.0 115.351 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -81.54 -166.29 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.02 142.64 0.09 OUTLIER Pre-proline 0 C--O 1.215 -0.723 0 CA-C-O 122.112 0.958 . . . . 25.0 110.511 -176.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -63.69 119.9 7.11 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 120.773 0.982 . . . . 25.0 111.102 173.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.51 -15.64 9.84 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 114.986 -1.007 . . . . 25.0 111.335 -167.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 t 62.67 54.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 124.017 0.927 . . . . 25.0 109.824 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -141.12 114.01 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.148 -0.686 . . . . 25.0 109.148 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.0 t -55.71 126.57 26.07 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.65 0.611 . . . . 25.0 112.65 -168.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.47 -44.49 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.627 -0.715 . . . . 25.0 111.825 177.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -125.31 117.16 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.167 -0.309 . . . . 25.0 110.167 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 9.8 m95 27.44 62.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 115.679 1.733 . . . . 25.0 115.679 176.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.0 p -75.1 161.18 29.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 122.515 1.15 . . . . 25.0 113.045 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 C--O 1.216 -0.66 0 CA-C-N 115.378 -0.828 . . . . 25.0 112.02 173.416 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.182 0 CA-C-O 118.992 -0.893 . . . . 25.0 111.535 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.02 -27.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 117.685 2.476 . . . . 25.0 117.685 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -64.85 -70.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 116.383 1.994 . . . . 25.0 116.383 -171.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.04 -173.78 34.52 Favored Glycine 0 C--O 1.227 -0.287 0 N-CA-C 110.698 -0.961 . . . . 25.0 110.698 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -94.94 150.4 20.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 118.99 1.395 . . . . 25.0 114.256 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 168.9 -155.28 25.61 Favored Glycine 0 N--CA 1.452 -0.278 0 N-CA-C 116.354 1.301 . . . . 25.0 116.354 172.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -85.5 -12.78 50.94 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 114.54 1.311 . . . . 25.0 114.54 -172.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -66.39 137.36 95.38 Favored Pre-proline 0 C--O 1.215 -0.725 0 CA-C-O 121.2 0.524 . . . . 25.0 109.985 177.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -63.47 140.56 76.63 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 120.656 0.904 . . . . 25.0 109.885 170.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.8 -3.06 82.92 Favored Glycine 0 N--CA 1.453 -0.231 0 N-CA-C 111.324 -0.71 . . . . 25.0 111.324 -164.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.1 t 68.6 92.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 125.052 1.341 . . . . 25.0 111.276 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.15 150.92 13.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.537 -0.756 . . . . 25.0 112.852 174.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.7 t -79.05 122.37 26.12 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.584 -0.697 . . . . 25.0 109.638 166.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.44 -48.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.359 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.5 mt -125.4 118.18 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.775 -0.454 . . . . 25.0 109.775 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.8 m95 30.09 60.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 115.786 1.773 . . . . 25.0 115.786 177.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.1 p -75.16 164.01 26.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 122.361 1.076 . . . . 25.0 112.036 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.9 t0 . . . . . 0 C--O 1.217 -0.616 0 CA-C-N 115.72 -0.673 . . . . 25.0 111.923 170.15 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.201 0 N-CA-C 122.615 3.806 . . . . 25.0 122.615 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.79 -45.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.315 -0.942 . . . . 25.0 113.21 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -89.79 -99.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 115.402 1.63 . . . . 25.0 115.402 -174.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.93 -165.34 37.3 Favored Glycine 0 C--O 1.227 -0.317 0 N-CA-C 111.299 -0.72 . . . . 25.0 111.299 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.4 ' HA ' HG12 ' A' ' 11' ' ' VAL . 3.8 m95 -96.09 144.5 26.29 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 117.566 2.432 . . . . 25.0 117.566 -163.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.2 -126.25 1.29 Allowed Glycine 0 N--CA 1.452 -0.234 0 N-CA-C 115.114 0.805 . . . . 25.0 115.114 169.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -113.96 -41.92 3.47 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 117.081 2.252 . . . . 25.0 117.081 -150.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.26 147.37 79.44 Favored Pre-proline 0 C--O 1.215 -0.758 0 CA-C-O 121.394 0.616 . . . . 25.0 110.176 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -58.44 136.84 76.97 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 121.157 1.238 . . . . 25.0 111.033 -178.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.25 -15.74 57.47 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 115.024 -0.989 . . . . 25.0 110.811 -164.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' A' ' 5' ' ' TRP . 48.8 t 71.62 96.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 124.822 1.249 . . . . 25.0 112.663 169.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -164.84 149.76 9.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.862 0.865 . . . . 25.0 109.296 167.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.99 118.35 8.34 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 166.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.46 -50.61 0.86 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 25.0 110.768 -176.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -131.14 119.04 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.105 -0.702 . . . . 25.0 109.105 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 21.2 m95 32.35 60.52 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 114.861 1.43 . . . . 25.0 114.861 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.0 p -76.67 164.33 26.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 122.478 1.133 . . . . 25.0 113.724 -177.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.8 t0 . . . . . 0 C--O 1.217 -0.615 0 CA-C-N 115.268 -0.878 . . . . 25.0 111.873 170.182 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.241 0 N-CA-C 116.144 1.218 . . . . 25.0 116.144 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -167.51 51.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 114.148 1.166 . . . . 25.0 114.148 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.465 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 12.1 mmt180 -95.47 -107.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.422 0.897 . . . . 25.0 113.422 165.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.59 136.76 13.14 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 112.179 -0.368 . . . . 25.0 112.179 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -61.63 147.83 44.46 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 115.743 1.757 . . . . 25.0 115.743 -154.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.87 -135.8 3.66 Favored Glycine 0 N--CA 1.452 -0.268 0 N-CA-C 114.131 0.413 . . . . 25.0 114.131 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -75.29 -165.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.995 -0.742 . . . . 25.0 108.995 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 66.23 133.72 0.04 OUTLIER Pre-proline 0 C--O 1.214 -0.781 0 CA-C-O 122.434 1.111 . . . . 25.0 111.095 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -61.78 129.48 27.81 Favored 'Trans proline' 0 C--N 1.352 0.727 0 N-CA-C 108.981 -1.2 . . . . 25.0 108.981 171.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.17 -10.46 51.12 Favored Glycine 0 CA--C 1.518 0.276 0 CA-C-N 115.484 -0.78 . . . . 25.0 112.108 -168.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.4 t 68.55 80.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 124.622 1.169 . . . . 25.0 112.823 166.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.465 ' HG3' ' H ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -146.64 125.5 12.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.353 -0.84 . . . . 25.0 111.673 177.104 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.95 105.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.783 -0.644 . . . . 25.0 111.243 176.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.8 -27.98 66.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.976 0.417 . . . . 25.0 111.425 175.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 mt -84.55 170.99 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 106.854 -1.536 . . . . 25.0 106.854 175.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.24 76.07 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.966 0.888 . . . . 25.0 109.786 175.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.3 p -153.29 174.8 13.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.254 -0.884 . . . . 25.0 109.61 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.8 t0 . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -175.142 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.16 0 N-CA-C 112.003 -0.439 . . . . 25.0 112.003 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -107.68 -19.47 13.53 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 117.042 2.238 . . . . 25.0 117.042 -172.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -79.82 -167.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 O-C-N 122.345 -0.222 . . . . 25.0 111.513 -177.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.7 159.13 13.04 Favored Glycine 0 N--CA 1.453 -0.218 0 N-CA-C 117.86 1.904 . . . . 25.0 117.86 -167.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -69.31 154.66 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 116.628 2.085 . . . . 25.0 116.628 -139.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 173.29 -155.81 23.21 Favored Glycine 0 C--N 1.331 0.255 0 N-CA-C 115.181 0.833 . . . . 25.0 115.181 175.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -84.76 -16.67 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 116.378 1.992 . . . . 25.0 116.378 -173.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -62.96 137.93 97.12 Favored Pre-proline 0 C--O 1.214 -0.784 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -60.08 137.66 76.95 Favored 'Trans proline' 0 C--N 1.351 0.695 0 N-CA-C 109.652 -0.942 . . . . 25.0 109.652 171.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.96 -7.45 62.71 Favored Glycine 0 CA--C 1.518 0.281 0 CA-C-N 115.478 -0.783 . . . . 25.0 111.838 -162.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.1 t 66.87 71.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 124.934 1.294 . . . . 25.0 111.201 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -142.88 139.99 31.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.301 -0.863 . . . . 25.0 111.649 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -74.24 119.33 18.3 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.524 -0.735 . . . . 25.0 110.079 170.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.8 -49.51 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 25.0 110.725 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -124.15 117.71 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.824 -0.436 . . . . 25.0 109.824 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.0 m95 31.48 59.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 115.835 1.791 . . . . 25.0 115.835 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.2 p -73.44 162.96 28.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.303 1.049 . . . . 25.0 111.819 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.217 -0.621 0 CA-C-N 115.778 -0.647 . . . . 25.0 112.05 173.586 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.177 0 CA-C-O 119.73 -0.483 . . . . 25.0 112.114 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 m -114.8 -13.95 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 117.456 2.391 . . . . 25.0 117.456 -170.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 37.9 mmt-85 -82.48 -154.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.433 0.531 . . . . 25.0 112.433 -178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.72 158.24 40.7 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 116.902 1.521 . . . . 25.0 116.902 -172.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -67.7 155.43 39.24 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 116.4 2.0 . . . . 25.0 116.4 -143.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.23 -141.91 6.17 Favored Glycine 0 N--CA 1.453 -0.226 0 N-CA-C 116.564 1.385 . . . . 25.0 116.564 174.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -98.43 -25.42 14.8 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 114.916 1.45 . . . . 25.0 114.916 -169.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -60.74 139.07 93.37 Favored Pre-proline 0 C--O 1.215 -0.754 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 174.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -60.42 139.81 88.41 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 120.749 0.966 . . . . 25.0 110.058 172.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.41 -6.2 68.12 Favored Glycine 0 N--CA 1.453 -0.202 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.697 -161.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 t 65.87 72.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 125.028 1.331 . . . . 25.0 111.229 175.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -143.35 137.55 28.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.37 -0.832 . . . . 25.0 112.114 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.5 t -74.29 118.58 17.41 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.292 -0.88 . . . . 25.0 109.826 173.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.63 -49.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 25.0 111.221 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -124.06 117.5 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.766 -0.457 . . . . 25.0 109.766 177.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.1 m95 29.12 60.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 115.417 1.636 . . . . 25.0 115.417 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.5 p -75.54 160.85 29.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 122.086 0.946 . . . . 25.0 112.5 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 C--O 1.215 -0.729 0 N-CA-C 114.05 1.13 . . . . 25.0 114.05 174.896 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.282 0 N-CA-C 118.314 2.086 . . . . 25.0 118.314 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -164.63 22.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 114.764 1.394 . . . . 25.0 114.764 175.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -91.5 -133.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 25.0 111.069 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.11 132.91 45.92 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.725 -0.75 . . . . 25.0 111.996 -177.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -64.87 150.76 47.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 116.742 2.127 . . . . 25.0 116.742 -163.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.73 -120.36 0.85 Allowed Glycine 0 CA--C 1.518 0.256 0 N-CA-C 115.355 0.902 . . . . 25.0 115.355 175.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -77.6 -158.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 177.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 67.67 135.38 0.04 OUTLIER Pre-proline 0 C--O 1.214 -0.789 0 CA-C-O 122.437 1.113 . . . . 25.0 112.113 174.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -64.47 124.24 13.01 Favored 'Trans proline' 0 C--N 1.353 0.784 0 O-C-N 118.974 -1.119 . . . . 25.0 109.598 163.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.08 -11.73 37.4 Favored Glycine 0 CA--C 1.518 0.225 0 CA-C-N 115.579 -0.737 . . . . 25.0 111.787 -168.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 t 67.81 87.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 124.521 1.128 . . . . 25.0 113.148 171.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -144.7 130.54 19.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.834 -1.075 . . . . 25.0 111.174 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.5 t -62.67 108.39 1.15 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.282 -1.007 . . . . 25.0 108.282 169.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.79 -48.77 1.89 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.892 -0.595 . . . . 25.0 109.959 -175.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.0 mt -122.72 114.96 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 174.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.5 m95 20.02 76.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 114.84 1.422 . . . . 25.0 114.84 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.4 p -74.81 163.48 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.393 1.092 . . . . 25.0 112.351 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.2 t0 . . . . . 0 C--O 1.216 -0.666 0 CA-C-N 115.655 -0.702 . . . . 25.0 112.206 176.646 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.232 0 N-CA-C 117.537 1.775 . . . . 25.0 117.537 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -161.82 -8.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 115.642 1.719 . . . . 25.0 115.642 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -74.82 -82.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 116.194 1.924 . . . . 25.0 116.194 -172.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.49 -165.26 40.3 Favored Glycine 0 C--O 1.227 -0.311 0 N-CA-C 109.901 -1.279 . . . . 25.0 109.901 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -108.47 146.8 32.6 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 114.664 1.357 . . . . 25.0 114.664 -175.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 168.91 -143.1 7.81 Favored Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 112.076 -0.41 . . . . 25.0 112.076 175.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -76.73 -139.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.099 -1.074 . . . . 25.0 108.099 172.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 64.27 135.27 0.04 OUTLIER Pre-proline 0 C--O 1.212 -0.876 0 CA-C-O 122.404 1.097 . . . . 25.0 111.21 -176.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -64.82 114.6 2.83 Favored 'Trans proline' 0 C--N 1.354 0.833 0 N-CA-C 108.287 -1.466 . . . . 25.0 108.287 164.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.09 -11.06 11.71 Favored Glycine 0 CA--C 1.517 0.193 0 CA-C-N 115.591 -0.731 . . . . 25.0 112.94 -169.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.6 t 65.15 86.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 124.108 0.963 . . . . 25.0 111.672 175.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.59 131.63 4.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.315 -0.857 . . . . 25.0 109.573 176.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.5 t -61.9 116.09 4.58 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.873 -0.417 . . . . 25.0 109.873 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -120.96 -48.76 2.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 25.0 111.064 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.1 mt -122.7 116.12 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 9.98 79.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.44 1.496 . . . . 25.0 114.521 -178.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.7 p -76.05 163.87 26.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 122.05 0.928 . . . . 25.0 112.238 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 C--O 1.216 -0.7 0 N-CA-C 113.375 0.88 . . . . 25.0 113.375 178.72 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.234 0 N-CA-C 108.113 -1.995 . . . . 25.0 108.113 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.47 ' H ' HD23 ' A' ' 14' ' ' LEU . 48.9 m -98.19 -22.07 16.37 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 116.598 2.073 . . . . 25.0 116.598 -174.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -89.69 -154.56 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.839 0.681 . . . . 25.0 112.839 -170.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.78 173.9 37.08 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.191 -0.528 . . . . 25.0 112.066 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -54.44 146.04 16.93 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 114.247 1.203 . . . . 25.0 114.247 -175.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 163.23 -128.3 1.82 Allowed Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 115.815 1.086 . . . . 25.0 115.815 173.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -80.84 -169.17 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.07 145.36 0.11 Allowed Pre-proline 0 C--O 1.215 -0.725 0 C-N-CA 124.236 1.014 . . . . 25.0 110.404 -175.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.6 121.2 8.7 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 120.895 1.063 . . . . 25.0 111.028 172.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.03 -12.74 12.92 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.288 -0.869 . . . . 25.0 111.817 -167.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t 62.38 44.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 124.093 0.957 . . . . 25.0 110.611 176.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -135.92 114.12 11.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.639 -0.709 . . . . 25.0 109.68 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -56.98 127.93 34.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 -169.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD23 ' H ' ' A' ' 2' ' ' SER . 0.3 OUTLIER -125.74 -45.35 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 25.0 110.933 175.846 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -125.15 121.64 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.0 m95 19.49 80.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 116.307 1.965 . . . . 25.0 116.307 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -77.42 159.69 29.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 122.341 1.067 . . . . 25.0 111.981 173.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.3 t0 . . . . . 0 C--O 1.217 -0.611 0 CA-C-N 115.744 -0.662 . . . . 25.0 111.955 171.56 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 103.289 -3.924 . . . . 25.0 103.289 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.7 m -134.15 -13.14 2.44 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 117.241 2.312 . . . . 25.0 117.241 -177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -74.2 -91.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 114.761 1.393 . . . . 25.0 114.761 -172.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.33 -165.19 40.6 Favored Glycine 0 C--O 1.228 -0.272 0 N-CA-C 110.11 -1.196 . . . . 25.0 110.11 177.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -105.2 154.4 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 114.701 1.371 . . . . 25.0 114.701 -174.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 159.45 -83.84 0.13 Allowed Glycine 0 C--N 1.33 0.247 0 N-CA-C 117.159 1.624 . . . . 25.0 117.159 164.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -122.74 -173.38 2.68 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 123.96 0.904 . . . . 25.0 109.594 -173.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 66.46 144.99 0.09 OUTLIER Pre-proline 0 C--O 1.214 -0.778 0 CA-C-O 122.188 0.994 . . . . 25.0 111.203 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.22 116.91 4.01 Favored 'Trans proline' 0 C--N 1.354 0.841 0 O-C-N 119.003 -1.104 . . . . 25.0 110.0 173.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.82 -19.73 8.33 Favored Glycine 0 N--CA 1.453 -0.227 0 N-CA-C 110.892 -0.883 . . . . 25.0 110.892 -165.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 22.0 t 62.03 81.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 124.454 1.102 . . . . 25.0 111.238 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.41 124.28 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 125.027 1.331 . . . . 25.0 108.199 179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.5 t -61.96 103.62 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 175.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.13 -50.84 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.199 -175.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.1 mt -126.02 115.71 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 108.382 -0.969 . . . . 25.0 108.382 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 m95 20.76 73.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 124.953 1.301 . . . . 25.0 114.253 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.5 p -74.29 163.68 27.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.173 0.987 . . . . 25.0 112.199 -177.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.214 -0.766 0 CA-C-N 115.339 -0.846 . . . . 25.0 113.216 178.834 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.312 0 N-CA-C 115.354 0.902 . . . . 25.0 115.354 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.6 m -151.72 16.8 0.69 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 115.694 1.739 . . . . 25.0 115.694 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -86.53 -136.46 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 122.702 0.401 . . . . 25.0 110.939 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.86 129.62 38.76 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 121.106 -0.569 . . . . 25.0 114.331 -177.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -59.13 150.92 23.84 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 116.947 2.203 . . . . 25.0 116.947 -158.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.46 -125.79 1.27 Allowed Glycine 0 CA--C 1.518 0.239 0 N-CA-C 114.748 0.659 . . . . 25.0 114.748 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -80.1 -159.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.837 -0.801 . . . . 25.0 108.837 178.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 65.98 135.83 0.04 OUTLIER Pre-proline 0 C--O 1.214 -0.785 0 CA-C-O 122.615 1.198 . . . . 25.0 111.632 177.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -63.81 122.98 11.24 Favored 'Trans proline' 0 C--N 1.353 0.796 0 O-C-N 118.88 -1.169 . . . . 25.0 109.559 171.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.44 -9.68 35.66 Favored Glycine 0 CA--C 1.517 0.213 0 CA-C-N 115.272 -0.876 . . . . 25.0 112.136 -169.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.0 t 67.89 82.94 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 124.54 1.136 . . . . 25.0 113.505 166.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -149.61 137.24 20.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.201 -0.909 . . . . 25.0 109.413 174.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 24.7 t -69.43 84.02 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.045 0.45 . . . . 25.0 110.517 175.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.37 -45.92 7.25 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.059 0.544 . . . . 25.0 111.756 -179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.3 mt -129.65 113.78 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 109.96 -0.385 . . . . 25.0 109.96 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 12.5 m95 27.06 63.75 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 114.846 1.424 . . . . 25.0 114.846 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.1 p -72.72 162.09 29.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 122.573 1.178 . . . . 25.0 113.337 -175.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.6 t0 . . . . . 0 C--O 1.217 -0.64 0 CA-C-N 115.295 -0.866 . . . . 25.0 111.996 172.486 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.182 0 N-CA-C 109.669 -1.372 . . . . 25.0 109.669 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -143.92 -4.66 0.83 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 116.602 2.075 . . . . 25.0 116.602 -177.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -82.61 -125.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.219 0.451 . . . . 25.0 112.219 -177.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.59 178.83 23.06 Favored Glycine 0 C--O 1.228 -0.278 0 N-CA-C 110.956 -0.858 . . . . 25.0 110.956 176.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -86.0 156.94 20.24 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 117.077 2.251 . . . . 25.0 117.077 -163.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.413 ' H ' HG12 ' A' ' 11' ' ' VAL . . . 156.84 -130.07 2.57 Favored Glycine 0 CA--C 1.518 0.248 0 N-CA-C 115.836 1.094 . . . . 25.0 115.836 168.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -75.56 -168.86 0.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.199 1.0 . . . . 25.0 109.983 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 67.92 138.09 0.05 OUTLIER Pre-proline 0 C--O 1.214 -0.807 0 CA-C-O 122.162 0.982 . . . . 25.0 111.634 173.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -62.74 121.95 10.07 Favored 'Trans proline' 0 C--N 1.354 0.833 0 O-C-N 118.9 -1.158 . . . . 25.0 109.554 172.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.04 -6.51 32.56 Favored Glycine 0 CA--C 1.517 0.202 0 CA-C-N 115.583 -0.735 . . . . 25.0 112.118 -168.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 6' ' ' GLY . 18.7 t 64.97 77.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 124.045 0.938 . . . . 25.0 111.545 163.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -150.3 127.58 11.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.762 -1.108 . . . . 25.0 111.631 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.2 t -66.95 99.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.628 -0.878 . . . . 25.0 108.628 170.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.98 -49.02 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.921 -0.581 . . . . 25.0 111.215 -176.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.2 mt -122.21 117.07 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.353 -0.98 . . . . 25.0 108.353 176.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER 13.8 78.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 125.221 1.408 . . . . 25.0 114.572 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 18' ' ' ASP . 26.8 p -75.61 158.71 32.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 122.058 0.932 . . . . 25.0 112.389 -177.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 17' ' ' CYS . 38.0 t70 . . . . . 0 C--O 1.214 -0.768 0 N-CA-C 114.119 1.155 . . . . 25.0 114.119 176.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 108.062 -2.015 . . . . 25.0 108.062 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -140.07 -14.0 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 115.227 1.565 . . . . 25.0 115.227 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -78.39 -128.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.751 0.648 . . . . 25.0 112.751 -173.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.61 178.42 19.24 Favored Glycine 0 C--O 1.227 -0.325 0 N-CA-C 111.275 -0.73 . . . . 25.0 111.275 177.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -83.54 157.1 22.48 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 117.527 2.417 . . . . 25.0 117.527 -164.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.417 ' H ' HG12 ' A' ' 11' ' ' VAL . . . 155.92 -131.55 3.08 Favored Glycine 0 CA--C 1.518 0.237 0 N-CA-C 115.366 0.907 . . . . 25.0 115.366 167.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -73.95 -168.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.259 1.024 . . . . 25.0 110.321 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 68.12 137.26 0.05 OUTLIER Pre-proline 0 C--O 1.214 -0.805 0 CA-C-O 122.102 0.953 . . . . 25.0 111.747 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.13 119.01 5.93 Favored 'Trans proline' 0 C--N 1.354 0.857 0 O-C-N 118.759 -1.232 . . . . 25.0 109.298 171.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.79 -9.69 21.39 Favored Glycine 0 CA--C 1.517 0.166 0 CA-C-N 115.69 -0.686 . . . . 25.0 111.861 -166.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.417 HG12 ' H ' ' A' ' 6' ' ' GLY . 15.7 t 63.82 76.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 124.184 0.994 . . . . 25.0 111.47 166.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -150.6 126.72 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.801 -1.091 . . . . 25.0 111.478 176.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 46.3 t -63.61 103.06 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.85 -0.796 . . . . 25.0 108.85 169.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.69 -49.01 2.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.502 . . . . 25.0 111.034 -176.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.7 mt -123.8 115.62 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.977 -0.749 . . . . 25.0 108.977 176.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.7 m95 20.93 73.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 125.037 1.335 . . . . 25.0 114.602 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.8 p -75.48 163.25 27.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 122.392 1.091 . . . . 25.0 112.478 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.3 t0 . . . . . 0 C--O 1.218 -0.601 0 CA-C-N 115.582 -0.735 . . . . 25.0 111.904 169.195 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.252 0 N-CA-C 110.156 -1.178 . . . . 25.0 110.156 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -147.43 -15.72 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 115.495 1.665 . . . . 25.0 115.495 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -83.61 -118.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.028 0.751 . . . . 25.0 113.028 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.93 177.57 23.03 Favored Glycine 0 C--O 1.227 -0.332 0 N-CA-C 110.73 -0.948 . . . . 25.0 110.73 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -95.52 155.26 16.82 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 116.797 2.147 . . . . 25.0 116.797 -164.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.413 ' H ' HG12 ' A' ' 11' ' ' VAL . . . 164.4 -103.59 0.21 Allowed Glycine 0 C--N 1.331 0.29 0 N-CA-C 116.584 1.393 . . . . 25.0 116.584 169.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -106.59 -169.66 1.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 124.656 1.183 . . . . 25.0 109.115 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.01 141.91 0.07 OUTLIER Pre-proline 0 C--O 1.214 -0.783 0 CA-C-O 122.3 1.048 . . . . 25.0 111.091 175.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -63.13 121.47 9.33 Favored 'Trans proline' 0 C--N 1.354 0.817 0 O-C-N 118.733 -1.246 . . . . 25.0 109.835 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.49 -5.88 38.3 Favored Glycine 0 CA--C 1.517 0.175 0 CA-C-N 115.65 -0.705 . . . . 25.0 112.124 -169.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.413 HG12 ' H ' ' A' ' 6' ' ' GLY . 17.3 t 65.11 82.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 C-N-CA 124.151 0.98 . . . . 25.0 112.655 160.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -149.26 135.23 18.93 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.999 1.32 . . . . 25.0 110.92 175.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.8 t -70.18 85.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 169.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -96.14 -48.32 5.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.701 -0.681 . . . . 25.0 111.432 -177.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -125.99 117.38 48.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.2 m95 15.48 77.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 125.168 1.387 . . . . 25.0 114.418 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 18' ' ' ASP . 28.4 p -75.3 162.8 28.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.923 0.868 . . . . 25.0 111.664 -178.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' CYS . 17.4 t70 . . . . . 0 C--O 1.215 -0.714 0 N-CA-C 114.148 1.166 . . . . 25.0 114.148 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 108.349 -1.901 . . . . 25.0 108.349 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -142.41 -18.62 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 116.042 1.868 . . . . 25.0 116.042 -178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.402 ' HB2' ' HE ' ' A' ' 12' ' ' ARG . 8.1 mmt180 -76.67 -83.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 114.918 1.451 . . . . 25.0 114.918 -170.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.79 -169.46 42.7 Favored Glycine 0 C--O 1.228 -0.276 0 N-CA-C 109.932 -1.267 . . . . 25.0 109.932 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -102.73 155.36 18.37 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 116.061 1.875 . . . . 25.0 116.061 -172.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 151.96 -127.77 2.36 Favored Glycine 0 C--N 1.33 0.209 0 N-CA-C 115.451 0.94 . . . . 25.0 115.451 167.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -73.13 -162.05 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.111 -1.07 . . . . 25.0 108.111 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 67.47 134.51 0.04 OUTLIER Pre-proline 0 C--O 1.214 -0.807 0 CA-C-O 122.171 0.986 . . . . 25.0 111.785 177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -64.2 121.77 9.53 Favored 'Trans proline' 0 C--N 1.353 0.793 0 N-CA-C 108.935 -1.217 . . . . 25.0 108.935 168.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.93 -10.38 27.37 Favored Glycine 0 N--CA 1.452 -0.274 0 CA-C-N 115.736 -0.665 . . . . 25.0 111.815 -165.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.6 t 62.52 78.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 124.17 0.988 . . . . 25.0 111.324 170.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' HE ' ' HB2' ' A' ' 3' ' ' ARG . 4.8 tpt85 -151.12 121.48 7.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 125.145 1.378 . . . . 25.0 109.711 176.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.21 113.25 2.77 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.447 -1.316 . . . . 25.0 107.447 171.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -123.15 -51.41 1.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 25.0 110.495 -175.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.1 mt -117.43 117.32 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 108.086 -1.079 . . . . 25.0 108.086 174.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER 12.46 79.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 125.321 1.448 . . . . 25.0 114.803 -179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ASP . 19.8 p -72.34 164.91 25.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.844 0.831 . . . . 25.0 111.611 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 17' ' ' CYS . 44.1 t0 . . . . . 0 C--O 1.216 -0.67 0 N-CA-C 114.334 1.235 . . . . 25.0 114.334 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.153 0 N-CA-C 109.49 -1.444 . . . . 25.0 109.49 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 m -145.12 13.38 1.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 117.431 2.382 . . . . 25.0 117.431 -176.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -83.18 -93.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 174.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.68 -165.84 41.76 Favored Glycine 0 C--O 1.228 -0.244 0 N-CA-C 110.188 -1.165 . . . . 25.0 110.188 177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -104.64 152.66 22.19 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 115.494 1.665 . . . . 25.0 115.494 -175.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 160.79 -138.97 5.77 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 116.101 -0.5 . . . . 25.0 113.027 173.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -70.81 -160.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.688 -0.856 . . . . 25.0 108.688 175.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 67.98 135.26 0.04 OUTLIER Pre-proline 0 C--O 1.215 -0.761 0 CA-C-O 122.23 1.014 . . . . 25.0 111.307 179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -63.09 129.05 24.5 Favored 'Trans proline' 0 C--N 1.352 0.716 0 N-CA-C 109.045 -1.175 . . . . 25.0 109.045 170.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.03 -10.2 47.61 Favored Glycine 0 CA--C 1.519 0.29 0 CA-C-N 115.628 -0.714 . . . . 25.0 111.7 -166.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 15.5 t 62.15 79.73 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 124.231 1.013 . . . . 25.0 111.041 173.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -155.96 117.3 3.9 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.402 1.081 . . . . 25.0 109.159 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 126.79 28.92 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.319 -0.552 . . . . 25.0 110.615 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.0 -34.17 64.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.541 0.686 . . . . 25.0 110.183 174.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.412 HG13 ' H ' ' A' ' 15' ' ' ILE . 0.3 OUTLIER -77.69 177.46 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 N-CA-C 108.14 -1.059 . . . . 25.0 108.14 176.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -64.47 -3.28 2.88 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 115.093 1.516 . . . . 25.0 115.093 -175.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -67.98 161.49 26.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.924 0.869 . . . . 25.0 109.896 173.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 C--O 1.216 -0.692 0 O-C-N 121.494 -0.754 . . . . 25.0 112.667 -176.785 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.192 0 N-CA-C 110.451 -1.06 . . . . 25.0 110.451 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -152.0 19.3 0.68 Allowed 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 118.236 2.68 . . . . 25.0 118.236 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -84.19 -85.07 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.333 0.864 . . . . 25.0 113.333 172.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.34 -165.81 40.77 Favored Glycine 0 C--O 1.229 -0.214 0 N-CA-C 110.437 -1.065 . . . . 25.0 110.437 175.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 29.1 m95 -105.64 153.25 22.06 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 115.178 1.548 . . . . 25.0 115.178 -176.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 157.87 -147.53 15.62 Favored Glycine 0 N--CA 1.452 -0.272 0 CA-C-N 116.422 -0.353 . . . . 25.0 113.028 174.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -62.87 -163.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 123.076 0.55 . . . . 25.0 110.833 172.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 68.61 135.34 0.04 OUTLIER Pre-proline 0 C--O 1.214 -0.785 0 CA-C-O 122.149 0.976 . . . . 25.0 111.063 -178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -62.38 131.3 33.43 Favored 'Trans proline' 0 C--N 1.352 0.761 0 N-CA-C 108.994 -1.195 . . . . 25.0 108.994 171.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.27 -9.22 56.0 Favored Glycine 0 CA--C 1.517 0.201 0 CA-C-N 115.706 -0.679 . . . . 25.0 111.968 -167.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.3 t 63.32 79.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 124.234 1.013 . . . . 25.0 111.423 171.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -156.29 116.71 3.68 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 124.313 1.045 . . . . 25.0 109.501 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 127.23 31.17 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.519 -0.473 . . . . 25.0 110.848 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.74 -34.47 62.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.552 0.692 . . . . 25.0 110.232 174.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.416 HG13 ' H ' ' A' ' 15' ' ' ILE . 0.4 OUTLIER -76.53 176.56 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 107.967 -1.123 . . . . 25.0 107.967 176.53 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -1.43 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.973 1.472 . . . . 25.0 114.973 -176.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.67 160.57 29.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 122.048 0.928 . . . . 25.0 109.945 173.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 t70 . . . . . 0 C--O 1.215 -0.722 0 O-C-N 121.484 -0.76 . . . . 25.0 112.663 -177.055 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.174 0 N-CA-C 111.505 -0.638 . . . . 25.0 111.505 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 t -155.5 -47.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.97 1.47 . . . . 25.0 114.97 -177.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -70.62 -164.37 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.984 1.105 . . . . 25.0 113.984 -171.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.34 166.03 12.05 Favored Glycine 0 CA--C 1.517 0.201 0 C-N-CA 120.587 -0.816 . . . . 25.0 111.389 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -52.26 143.72 14.15 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.415 1.265 . . . . 25.0 114.415 -172.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.7 -129.66 1.8 Allowed Glycine 0 C--N 1.331 0.25 0 N-CA-C 115.142 0.817 . . . . 25.0 115.142 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -82.19 -164.91 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.56 143.82 0.1 OUTLIER Pre-proline 0 C--O 1.214 -0.775 0 CA-C-O 122.066 0.936 . . . . 25.0 110.304 -175.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -64.17 120.07 7.31 Favored 'Trans proline' 0 C--N 1.355 0.906 0 O-C-N 119.309 -0.943 . . . . 25.0 111.479 172.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 121.02 -16.09 9.39 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 114.858 -1.064 . . . . 25.0 111.173 -167.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.5 t 63.0 52.94 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 C-N-CA 123.839 0.855 . . . . 25.0 109.688 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.8 mmm-85 -140.89 112.93 7.78 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.756 -0.831 . . . . 25.0 108.756 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.5 t -55.25 126.21 23.96 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.728 0.64 . . . . 25.0 112.728 -167.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.61 -44.73 0.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.745 -0.661 . . . . 25.0 111.987 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.3 mt -126.18 117.49 48.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.986 -0.376 . . . . 25.0 109.986 179.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 9.7 m95 27.7 62.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 115.618 1.71 . . . . 25.0 115.618 176.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.7 p -75.06 160.94 29.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 122.524 1.154 . . . . 25.0 112.928 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 C--O 1.217 -0.646 0 CA-C-N 115.29 -0.868 . . . . 25.0 112.104 173.422 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 N-CA-C 111.308 -0.717 . . . . 25.0 111.308 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 t -158.53 -50.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 116.295 1.961 . . . . 25.0 116.295 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -74.4 -169.81 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.902 0.704 . . . . 25.0 112.902 -170.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.99 167.06 5.97 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 121.064 -0.589 . . . . 25.0 112.013 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -46.33 139.87 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 114.401 1.259 . . . . 25.0 114.401 -171.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.8 -137.59 4.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.769 -0.729 . . . . 25.0 114.871 177.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.425 ' H ' ' HB3' ' A' ' 17' ' ' CYS . 3.1 m-85 -78.07 -173.03 2.99 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 74.15 140.52 0.08 OUTLIER Pre-proline 0 C--O 1.215 -0.758 0 C-N-CA 124.737 1.215 . . . . 25.0 110.191 -173.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -63.45 122.88 11.19 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 120.869 1.046 . . . . 25.0 110.888 174.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.13 -17.06 9.94 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 114.758 -1.11 . . . . 25.0 111.032 -167.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.5 t 61.9 48.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 122.122 0.963 . . . . 25.0 109.254 178.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -138.83 108.11 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.992 -1.114 . . . . 25.0 107.992 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 53.0 t -54.53 130.86 41.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.337 0.589 . . . . 25.0 112.582 -164.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.31 -45.46 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.804 -0.635 . . . . 25.0 111.674 175.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.2 mt -123.34 117.92 52.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 122.325 0.25 . . . . 25.0 110.635 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 17.1 m95 28.17 62.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 115.972 1.841 . . . . 25.0 115.972 175.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.425 ' HB3' ' H ' ' A' ' 7' ' ' PHE . 19.9 p -74.49 159.79 31.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 122.567 1.175 . . . . 25.0 112.771 177.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.8 t0 . . . . . 0 C--O 1.216 -0.671 0 CA-C-N 115.375 -0.83 . . . . 25.0 112.185 176.453 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.264 0 N-CA-C 118.602 2.201 . . . . 25.0 118.602 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -157.49 -44.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 113.716 1.006 . . . . 25.0 113.716 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 50.0 mmt-85 -69.65 -70.7 0.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 117.679 2.474 . . . . 25.0 117.679 -172.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.41 -130.76 5.68 Favored Glycine 0 C--O 1.228 -0.243 0 CA-C-O 119.836 -0.425 . . . . 25.0 113.307 -174.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.482 ' HD1' ' OD2' ' A' ' 18' ' ' ASP . 42.3 m95 -134.24 145.4 49.12 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.579 0.955 . . . . 25.0 113.579 -178.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 152.49 -152.7 24.36 Favored Glycine 0 N--CA 1.452 -0.286 0 N-CA-C 114.577 0.591 . . . . 25.0 114.577 173.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -69.96 172.41 7.87 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 122.788 0.435 . . . . 25.0 110.7 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 78.75 139.87 0.07 OUTLIER Pre-proline 0 C--O 1.213 -0.821 0 C-N-CA 125.556 1.543 . . . . 25.0 111.426 -175.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -63.76 134.94 46.09 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 120.955 1.103 . . . . 25.0 110.415 174.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.52 -24.04 20.96 Favored Glycine 0 N--CA 1.452 -0.264 0 N-CA-C 109.47 -1.452 . . . . 25.0 109.47 -162.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.403 ' O ' ' HA ' ' A' ' 5' ' ' TRP . 5.0 t 61.4 64.4 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 C-N-CA 124.498 1.119 . . . . 25.0 111.283 174.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 tpt85 -156.11 121.34 4.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.675 0.75 . . . . 25.0 109.167 168.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.55 133.01 36.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.093 -0.958 . . . . 25.0 112.114 -175.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -78.42 -24.29 46.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 25.0 110.403 167.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -83.15 -179.32 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 107.844 -1.169 . . . . 25.0 107.844 175.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.99 -6.39 8.46 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 115.57 1.693 . . . . 25.0 115.57 -173.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.416 ' O ' ' C ' ' A' ' 18' ' ' ASP . 0.1 OUTLIER -64.43 159.69 20.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.893 0.854 . . . . 25.0 110.865 177.309 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.482 ' OD2' ' HD1' ' A' ' 5' ' ' TRP . 48.1 t0 . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 113.65 0.981 . . . . 25.0 113.65 -171.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.2 0 N-CA-C 110.806 -0.918 . . . . 25.0 110.806 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 t -154.43 -46.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 115.324 1.601 . . . . 25.0 115.324 -178.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.2 mmt180 -68.65 -164.38 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.546 0.943 . . . . 25.0 113.546 -172.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.85 168.03 10.29 Favored Glycine 0 C--O 1.229 -0.198 0 C-N-CA 120.742 -0.742 . . . . 25.0 111.422 178.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -52.84 144.1 15.28 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 114.009 1.114 . . . . 25.0 114.009 -173.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.47 -129.75 1.83 Allowed Glycine 0 N--CA 1.453 -0.23 0 N-CA-C 115.351 0.9 . . . . 25.0 115.351 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -81.54 -166.29 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.154 -0.684 . . . . 25.0 109.154 178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.02 142.64 0.09 OUTLIER Pre-proline 0 C--O 1.215 -0.723 0 CA-C-O 122.112 0.958 . . . . 25.0 110.511 -176.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -63.69 119.9 7.11 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 120.773 0.982 . . . . 25.0 111.102 173.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 120.51 -15.64 9.84 Favored Glycine 0 N--CA 1.452 -0.295 0 CA-C-N 114.986 -1.007 . . . . 25.0 111.335 -167.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 t 62.67 54.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 124.017 0.927 . . . . 25.0 109.824 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.9 mmm-85 -141.12 114.01 8.42 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.148 -0.686 . . . . 25.0 109.148 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.0 t -55.71 126.57 26.07 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.65 0.611 . . . . 25.0 112.65 -168.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.47 -44.49 0.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.627 -0.715 . . . . 25.0 111.825 177.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -125.31 117.16 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 110.167 -0.309 . . . . 25.0 110.167 179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 9.8 m95 27.44 62.83 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 115.679 1.733 . . . . 25.0 115.679 176.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.0 p -75.1 161.18 29.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 122.515 1.15 . . . . 25.0 113.045 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 C--O 1.216 -0.66 0 CA-C-N 115.378 -0.828 . . . . 25.0 112.02 173.416 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.182 0 CA-C-O 118.992 -0.893 . . . . 25.0 111.535 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.02 -27.45 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 117.685 2.476 . . . . 25.0 117.685 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 53.9 mmt-85 -64.85 -70.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 116.383 1.994 . . . . 25.0 116.383 -171.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.04 -173.78 34.52 Favored Glycine 0 C--O 1.227 -0.287 0 N-CA-C 110.698 -0.961 . . . . 25.0 110.698 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -94.94 150.4 20.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 118.99 1.395 . . . . 25.0 114.256 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 168.9 -155.28 25.61 Favored Glycine 0 N--CA 1.452 -0.278 0 N-CA-C 116.354 1.301 . . . . 25.0 116.354 172.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 -85.5 -12.78 50.94 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 114.54 1.311 . . . . 25.0 114.54 -172.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -66.39 137.36 95.38 Favored Pre-proline 0 C--O 1.215 -0.725 0 CA-C-O 121.2 0.524 . . . . 25.0 109.985 177.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -63.47 140.56 76.63 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 120.656 0.904 . . . . 25.0 109.885 170.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.8 -3.06 82.92 Favored Glycine 0 N--CA 1.453 -0.231 0 N-CA-C 111.324 -0.71 . . . . 25.0 111.324 -164.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.1 t 68.6 92.62 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 125.052 1.341 . . . . 25.0 111.276 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.15 150.92 13.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.537 -0.756 . . . . 25.0 112.852 174.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 38.7 t -79.05 122.37 26.12 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.584 -0.697 . . . . 25.0 109.638 166.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -137.44 -48.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.496 -0.32 . . . . 25.0 110.359 178.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.5 mt -125.4 118.18 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.775 -0.454 . . . . 25.0 109.775 177.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.8 m95 30.09 60.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 115.786 1.773 . . . . 25.0 115.786 177.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.1 p -75.16 164.01 26.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 122.361 1.076 . . . . 25.0 112.036 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.9 t0 . . . . . 0 C--O 1.217 -0.616 0 CA-C-N 115.72 -0.673 . . . . 25.0 111.923 170.15 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.201 0 N-CA-C 122.615 3.806 . . . . 25.0 122.615 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.79 -45.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.315 -0.942 . . . . 25.0 113.21 -179.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 mmt85 -89.79 -99.4 0.1 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 115.402 1.63 . . . . 25.0 115.402 -174.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.93 -165.34 37.3 Favored Glycine 0 C--O 1.227 -0.317 0 N-CA-C 111.299 -0.72 . . . . 25.0 111.299 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.4 ' HA ' HG12 ' A' ' 11' ' ' VAL . 3.8 m95 -96.09 144.5 26.29 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 117.566 2.432 . . . . 25.0 117.566 -163.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.2 -126.25 1.29 Allowed Glycine 0 N--CA 1.452 -0.234 0 N-CA-C 115.114 0.805 . . . . 25.0 115.114 169.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -113.96 -41.92 3.47 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 117.081 2.252 . . . . 25.0 117.081 -150.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.26 147.37 79.44 Favored Pre-proline 0 C--O 1.215 -0.758 0 CA-C-O 121.394 0.616 . . . . 25.0 110.176 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -58.44 136.84 76.97 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 121.157 1.238 . . . . 25.0 111.033 -178.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.25 -15.74 57.47 Favored Glycine 0 N--CA 1.453 -0.21 0 CA-C-N 115.024 -0.989 . . . . 25.0 110.811 -164.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.4 HG12 ' HA ' ' A' ' 5' ' ' TRP . 48.8 t 71.62 96.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 124.822 1.249 . . . . 25.0 112.663 169.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.8 tpt180 -164.84 149.76 9.49 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 123.862 0.865 . . . . 25.0 109.296 167.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.99 118.35 8.34 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 166.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.46 -50.61 0.86 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.223 -0.444 . . . . 25.0 110.768 -176.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -131.14 119.04 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 109.105 -0.702 . . . . 25.0 109.105 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 21.2 m95 32.35 60.52 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 114.861 1.43 . . . . 25.0 114.861 178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.0 p -76.67 164.33 26.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 122.478 1.133 . . . . 25.0 113.724 -177.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.8 t0 . . . . . 0 C--O 1.217 -0.615 0 CA-C-N 115.268 -0.878 . . . . 25.0 111.873 170.182 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.241 0 N-CA-C 116.144 1.218 . . . . 25.0 116.144 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -167.51 51.96 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 114.148 1.166 . . . . 25.0 114.148 175.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.465 ' H ' ' HG3' ' A' ' 12' ' ' ARG . 12.1 mmt180 -95.47 -107.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.422 0.897 . . . . 25.0 113.422 165.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.59 136.76 13.14 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 112.179 -0.368 . . . . 25.0 112.179 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -61.63 147.83 44.46 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 115.743 1.757 . . . . 25.0 115.743 -154.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.87 -135.8 3.66 Favored Glycine 0 N--CA 1.452 -0.268 0 N-CA-C 114.131 0.413 . . . . 25.0 114.131 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -75.29 -165.26 0.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.995 -0.742 . . . . 25.0 108.995 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 66.23 133.72 0.04 OUTLIER Pre-proline 0 C--O 1.214 -0.781 0 CA-C-O 122.434 1.111 . . . . 25.0 111.095 -177.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -61.78 129.48 27.81 Favored 'Trans proline' 0 C--N 1.352 0.727 0 N-CA-C 108.981 -1.2 . . . . 25.0 108.981 171.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.17 -10.46 51.12 Favored Glycine 0 CA--C 1.518 0.276 0 CA-C-N 115.484 -0.78 . . . . 25.0 112.108 -168.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.4 t 68.55 80.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 124.622 1.169 . . . . 25.0 112.823 166.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.465 ' HG3' ' H ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -146.64 125.5 12.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.353 -0.84 . . . . 25.0 111.673 177.104 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -66.95 105.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.783 -0.644 . . . . 25.0 111.243 176.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.8 -27.98 66.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.976 0.417 . . . . 25.0 111.425 175.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 mt -84.55 170.99 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 106.854 -1.536 . . . . 25.0 106.854 175.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.24 76.07 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.966 0.888 . . . . 25.0 109.786 175.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.3 p -153.29 174.8 13.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.254 -0.884 . . . . 25.0 109.61 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.8 t0 . . . . . 0 N--CA 1.472 0.67 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -175.142 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.16 0 N-CA-C 112.003 -0.439 . . . . 25.0 112.003 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -107.68 -19.47 13.53 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 117.042 2.238 . . . . 25.0 117.042 -172.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -79.82 -167.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 O-C-N 122.345 -0.222 . . . . 25.0 111.513 -177.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.7 159.13 13.04 Favored Glycine 0 N--CA 1.453 -0.218 0 N-CA-C 117.86 1.904 . . . . 25.0 117.86 -167.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -69.31 154.66 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 116.628 2.085 . . . . 25.0 116.628 -139.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 173.29 -155.81 23.21 Favored Glycine 0 C--N 1.331 0.255 0 N-CA-C 115.181 0.833 . . . . 25.0 115.181 175.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -84.76 -16.67 40.76 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 116.378 1.992 . . . . 25.0 116.378 -173.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -62.96 137.93 97.12 Favored Pre-proline 0 C--O 1.214 -0.784 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -60.08 137.66 76.95 Favored 'Trans proline' 0 C--N 1.351 0.695 0 N-CA-C 109.652 -0.942 . . . . 25.0 109.652 171.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.96 -7.45 62.71 Favored Glycine 0 CA--C 1.518 0.281 0 CA-C-N 115.478 -0.783 . . . . 25.0 111.838 -162.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.1 t 66.87 71.77 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 124.934 1.294 . . . . 25.0 111.201 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -142.88 139.99 31.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.301 -0.863 . . . . 25.0 111.649 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.8 t -74.24 119.33 18.3 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.524 -0.735 . . . . 25.0 110.079 170.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.8 -49.51 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.32 -0.4 . . . . 25.0 110.725 178.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -124.15 117.71 51.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.824 -0.436 . . . . 25.0 109.824 177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.0 m95 31.48 59.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 115.835 1.791 . . . . 25.0 115.835 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 31.2 p -73.44 162.96 28.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.303 1.049 . . . . 25.0 111.819 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.5 t0 . . . . . 0 C--O 1.217 -0.621 0 CA-C-N 115.778 -0.647 . . . . 25.0 112.05 173.586 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.177 0 CA-C-O 119.73 -0.483 . . . . 25.0 112.114 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 m -114.8 -13.95 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 117.456 2.391 . . . . 25.0 117.456 -170.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 37.9 mmt-85 -82.48 -154.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.433 0.531 . . . . 25.0 112.433 -178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.72 158.24 40.7 Favored Glycine 0 N--CA 1.452 -0.249 0 N-CA-C 116.902 1.521 . . . . 25.0 116.902 -172.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -67.7 155.43 39.24 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 116.4 2.0 . . . . 25.0 116.4 -143.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.23 -141.91 6.17 Favored Glycine 0 N--CA 1.453 -0.226 0 N-CA-C 116.564 1.385 . . . . 25.0 116.564 174.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -98.43 -25.42 14.8 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 114.916 1.45 . . . . 25.0 114.916 -169.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -60.74 139.07 93.37 Favored Pre-proline 0 C--O 1.215 -0.754 0 N-CA-C 109.227 -0.657 . . . . 25.0 109.227 174.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -60.42 139.81 88.41 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 120.749 0.966 . . . . 25.0 110.058 172.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.41 -6.2 68.12 Favored Glycine 0 N--CA 1.453 -0.202 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.697 -161.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.0 t 65.87 72.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 125.028 1.331 . . . . 25.0 111.229 175.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 -143.35 137.55 28.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.37 -0.832 . . . . 25.0 112.114 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 40.5 t -74.29 118.58 17.41 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 121.292 -0.88 . . . . 25.0 109.826 173.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.63 -49.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.344 -0.389 . . . . 25.0 111.221 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -124.06 117.5 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 N-CA-C 109.766 -0.457 . . . . 25.0 109.766 177.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.1 m95 29.12 60.41 0.14 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 115.417 1.636 . . . . 25.0 115.417 177.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.5 p -75.54 160.85 29.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 122.086 0.946 . . . . 25.0 112.5 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 C--O 1.215 -0.729 0 N-CA-C 114.05 1.13 . . . . 25.0 114.05 174.896 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.282 0 N-CA-C 118.314 2.086 . . . . 25.0 118.314 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -164.63 22.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 114.764 1.394 . . . . 25.0 114.764 175.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.7 mmt85 -91.5 -133.52 0.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 25.0 111.069 174.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.11 132.91 45.92 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.725 -0.75 . . . . 25.0 111.996 -177.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -64.87 150.76 47.12 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 116.742 2.127 . . . . 25.0 116.742 -163.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.73 -120.36 0.85 Allowed Glycine 0 CA--C 1.518 0.256 0 N-CA-C 115.355 0.902 . . . . 25.0 115.355 175.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -77.6 -158.84 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 177.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 67.67 135.38 0.04 OUTLIER Pre-proline 0 C--O 1.214 -0.789 0 CA-C-O 122.437 1.113 . . . . 25.0 112.113 174.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -64.47 124.24 13.01 Favored 'Trans proline' 0 C--N 1.353 0.784 0 O-C-N 118.974 -1.119 . . . . 25.0 109.598 163.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.08 -11.73 37.4 Favored Glycine 0 CA--C 1.518 0.225 0 CA-C-N 115.579 -0.737 . . . . 25.0 111.787 -168.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.2 t 67.81 87.47 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 124.521 1.128 . . . . 25.0 113.148 171.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -144.7 130.54 19.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.834 -1.075 . . . . 25.0 111.174 178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.5 t -62.67 108.39 1.15 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.282 -1.007 . . . . 25.0 108.282 169.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.79 -48.77 1.89 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.892 -0.595 . . . . 25.0 109.959 -175.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.0 mt -122.72 114.96 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 174.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 4.5 m95 20.02 76.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 114.84 1.422 . . . . 25.0 114.84 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.4 p -74.81 163.48 27.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.393 1.092 . . . . 25.0 112.351 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 66.2 t0 . . . . . 0 C--O 1.216 -0.666 0 CA-C-N 115.655 -0.702 . . . . 25.0 112.206 176.646 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.232 0 N-CA-C 117.537 1.775 . . . . 25.0 117.537 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -161.82 -8.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 115.642 1.719 . . . . 25.0 115.642 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -74.82 -82.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 116.194 1.924 . . . . 25.0 116.194 -172.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.49 -165.26 40.3 Favored Glycine 0 C--O 1.227 -0.311 0 N-CA-C 109.901 -1.279 . . . . 25.0 109.901 176.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -108.47 146.8 32.6 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 114.664 1.357 . . . . 25.0 114.664 -175.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 168.91 -143.1 7.81 Favored Glycine 0 N--CA 1.453 -0.225 0 N-CA-C 112.076 -0.41 . . . . 25.0 112.076 175.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -76.73 -139.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 108.099 -1.074 . . . . 25.0 108.099 172.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 64.27 135.27 0.04 OUTLIER Pre-proline 0 C--O 1.212 -0.876 0 CA-C-O 122.404 1.097 . . . . 25.0 111.21 -176.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -64.82 114.6 2.83 Favored 'Trans proline' 0 C--N 1.354 0.833 0 N-CA-C 108.287 -1.466 . . . . 25.0 108.287 164.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 119.09 -11.06 11.71 Favored Glycine 0 CA--C 1.517 0.193 0 CA-C-N 115.591 -0.731 . . . . 25.0 112.94 -169.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.6 t 65.15 86.14 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 124.108 0.963 . . . . 25.0 111.672 175.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.59 131.63 4.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.315 -0.857 . . . . 25.0 109.573 176.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.5 t -61.9 116.09 4.58 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.873 -0.417 . . . . 25.0 109.873 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -120.96 -48.76 2.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.274 -0.421 . . . . 25.0 111.064 -179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.1 mt -122.7 116.12 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 9.98 79.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 125.44 1.496 . . . . 25.0 114.521 -178.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.7 p -76.05 163.87 26.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 122.05 0.928 . . . . 25.0 112.238 -177.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 C--O 1.216 -0.7 0 N-CA-C 113.375 0.88 . . . . 25.0 113.375 178.72 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.234 0 N-CA-C 108.113 -1.995 . . . . 25.0 108.113 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.47 ' H ' HD23 ' A' ' 14' ' ' LEU . 48.9 m -98.19 -22.07 16.37 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 116.598 2.073 . . . . 25.0 116.598 -174.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -89.69 -154.56 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.839 0.681 . . . . 25.0 112.839 -170.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.78 173.9 37.08 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.191 -0.528 . . . . 25.0 112.066 178.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -54.44 146.04 16.93 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 114.247 1.203 . . . . 25.0 114.247 -175.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 163.23 -128.3 1.82 Allowed Glycine 0 N--CA 1.452 -0.256 0 N-CA-C 115.815 1.086 . . . . 25.0 115.815 173.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -80.84 -169.17 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.554 -0.906 . . . . 25.0 108.554 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 73.07 145.36 0.11 Allowed Pre-proline 0 C--O 1.215 -0.725 0 C-N-CA 124.236 1.014 . . . . 25.0 110.404 -175.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -64.6 121.2 8.7 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 120.895 1.063 . . . . 25.0 111.028 172.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 118.03 -12.74 12.92 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.288 -0.869 . . . . 25.0 111.817 -167.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t 62.38 44.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 124.093 0.957 . . . . 25.0 110.611 176.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -135.92 114.12 11.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.639 -0.709 . . . . 25.0 109.68 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -56.98 127.93 34.37 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 -169.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD23 ' H ' ' A' ' 2' ' ' SER . 0.3 OUTLIER -125.74 -45.35 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.792 -0.64 . . . . 25.0 110.933 175.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -125.15 121.64 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.533 -0.543 . . . . 25.0 109.533 178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 5.0 m95 19.49 80.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 116.307 1.965 . . . . 25.0 116.307 178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -77.42 159.69 29.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 122.341 1.067 . . . . 25.0 111.981 173.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 67.3 t0 . . . . . 0 C--O 1.217 -0.611 0 CA-C-N 115.744 -0.662 . . . . 25.0 111.955 171.56 . . . . . . . . 0 0 . 1 stop_ save_