data_1ujl_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1ujl _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.802 0.334 . . . . 1.0 111.086 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 16.0 mt -87.23 159.29 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 177.99 -33.0 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.649 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -103.02 36.96 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.39 . . . . 0.0 110.631 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -49.53 163.65 0.11 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.436 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.66 65.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.418 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -96.8 168.67 9.97 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 52.2 Cg_endo -69.42 64.29 1.6 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.367 2.045 . . . . 0.0 112.316 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -93.04 -54.2 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.9 mmt -124.8 32.58 5.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.61 -74.68 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.63 165.9 1.35 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.419 ' O ' HG23 ' A' ' 14' ' ' ILE . 0.3 OUTLIER -102.28 -48.71 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.747 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.429 ' CG2' ' N ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER 43.92 -168.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.752 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.429 ' N ' ' CG2' ' A' ' 14' ' ' ILE . . . 79.71 12.54 83.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.691 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.466 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 4.8 p-90 -52.33 -40.48 61.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.118 0.485 . . . . 0.0 110.316 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 2.2 mt -67.94 -21.99 65.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.611 0.72 . . . . 0.0 109.887 178.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -93.73 20.83 7.06 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.818 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -128.98 -47.38 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.141 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.54 -26.23 65.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.745 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.12 -43.5 95.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -82.65 -32.15 28.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.749 0.309 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -58.81 -42.56 89.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.7 mt -98.16 -67.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.27 126.38 2.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.569 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -129.28 71.85 82.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.312 . . . . 0.0 110.809 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.5 -34.92 41.04 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.538 2.159 . . . . 0.0 112.485 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.42 ' CE1' ' HB2' ' A' ' 30' ' ' SER . 0.2 OUTLIER -159.5 40.12 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 111.063 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.4 t30 49.62 92.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.058 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.42 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -140.79 54.58 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.784 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m 62.41 165.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.23 54.25 0.61 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.28 167.18 21.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -108.97 81.35 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.681 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.35 63.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.556 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.49 -43.45 45.65 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.571 2.18 . . . . 0.0 112.331 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -56.35 -44.33 79.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mp -66.19 -59.3 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.118 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.69 -28.99 2.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -87.25 -26.16 23.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.851 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.48 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -74.17 -17.32 60.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.21 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.48 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.262 -0.875 . . . . 1.0 110.772 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.861 0.362 . . . . 1.0 111.052 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.4 mt -91.12 148.86 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.21 37.12 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -161.23 32.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.24 173.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.367 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -69.75 66.2 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.418 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -96.32 169.74 8.52 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.662 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 59.9 Cg_endo -72.91 81.28 1.67 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.353 2.036 . . . . 0.0 112.292 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -106.66 79.17 1.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 59.96 31.61 20.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -112.96 -66.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.3 t -178.76 158.84 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.432 ' O ' HG23 ' A' ' 14' ' ' ILE . 8.0 mmt180 -129.62 -52.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER 43.83 -168.07 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.72 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.416 ' N ' ' CG2' ' A' ' 14' ' ' ILE . . . 94.09 16.02 45.99 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.723 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.465 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 4.4 p-90 -51.27 -38.66 53.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.159 0.504 . . . . 0.0 110.517 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.465 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 4.1 mt -72.61 -21.96 61.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.004 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' GLY . 5.9 m80 -94.24 20.67 7.81 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.979 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -130.46 -50.32 1.08 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.224 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.98 -24.09 67.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.78 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.39 -54.53 31.77 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.26 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.41 -25.06 29.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.589 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -56.69 -35.96 69.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.957 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.3 mm -91.38 -57.15 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.81 16.61 7.89 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.796 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.59 125.2 12.5 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.559 0.219 . . . . 0.0 111.374 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.09 -63.36 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.393 2.062 . . . . 0.0 112.382 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.425 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 3.6 p90 -134.81 49.85 2.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.1 t30 52.32 68.78 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.006 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.51 78.05 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m 60.91 102.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.52 29.81 9.75 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.593 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.81 171.14 6.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.785 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -110.09 109.88 2.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.624 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.78 70.25 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.534 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.71 -47.9 1.76 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.69 2.26 . . . . 0.0 112.25 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -41.93 68.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.94 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 mp -68.89 -60.97 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.052 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -28.56 2.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -86.57 -27.07 24.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.492 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -75.35 -15.6 60.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.321 179.224 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.492 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.871 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.839 0.352 . . . . 1.0 111.032 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 mp -92.07 139.89 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.28 87.46 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -99.09 14.47 29.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.626 0.25 . . . . 0.0 111.205 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.96 92.6 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.833 0.349 . . . . 0.0 111.453 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -82.98 -156.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.421 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.36 52.38 3.09 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 120.614 0.245 . . . . 0.0 111.342 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HD2' ' CE1' ' A' ' 9' ' ' HIS . 90.6 Cg_endo -78.53 55.37 5.43 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.503 2.135 . . . . 0.0 112.253 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.424 ' CE1' ' HD2' ' A' ' 8' ' ' PRO . 5.8 m80 -146.42 82.3 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.957 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.7 mtp -94.89 44.45 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -107.43 30.19 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 20.9 m -148.48 170.17 18.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 12' ' ' SER . 19.7 mmm180 81.34 -47.45 0.24 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.256 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 15' ' ' GLY . 8.3 tp -57.38 156.66 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.382 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.436 ' N ' HG13 ' A' ' 14' ' ' ILE . . . 118.19 15.59 6.02 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.927 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.465 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 3.6 p-90 -51.51 -38.26 53.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.047 0.451 . . . . 0.0 110.424 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.465 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 1.8 mt -71.98 -22.08 61.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.023 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' GLY . 6.9 m80 -93.88 20.83 7.23 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -130.34 -47.5 1.09 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.051 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 pp -60.84 -28.22 68.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.583 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.84 -31.94 73.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -79.62 -40.06 30.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.328 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -61.0 -43.34 99.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.8 mt -77.11 -66.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.45 128.5 6.28 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.74 110.35 44.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.49 0.186 . . . . 0.0 110.761 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.89 -45.91 2.81 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.434 2.09 . . . . 0.0 112.339 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.428 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -149.49 -114.16 0.06 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.89 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.47 -48.43 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.75 0.31 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t 60.7 109.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m 61.11 75.54 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.31 -71.47 0.73 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.16 167.53 17.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.861 0.363 . . . . 0.0 110.949 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.78 -43.39 51.07 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.456 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.34 86.68 0.29 Allowed Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.27 -41.4 66.91 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.675 2.25 . . . . 0.0 112.458 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -55.15 -47.53 74.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.982 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.2 mp -68.3 -58.73 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.068 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -47.85 -29.06 2.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -88.86 -25.35 22.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.857 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.484 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -73.04 -18.19 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.182 179.144 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.484 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.847 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.838 0.351 . . . . 1.0 111.061 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.53 157.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.009 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.22 -70.62 0.99 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -125.69 -35.78 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 111.022 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.23 102.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.539 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.66 -46.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.746 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.41 154.87 66.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.837 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -77.94 130.07 10.19 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.589 2.193 . . . . 0.0 112.375 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.49 ' O ' ' HG2' ' A' ' 10' ' ' MET . 2.1 p80 176.93 120.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.682 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.49 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER 32.34 61.7 0.33 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.958 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -99.32 -35.2 10.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 p 56.67 59.54 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -155.85 -60.02 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 mm -94.43 133.85 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.323 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.06 12.64 0.17 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.224 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.434 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 10.8 p-90 -52.54 -44.03 65.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.2 0.524 . . . . 0.0 110.425 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.434 ' HG ' ' CD2' ' A' ' 16' ' ' TRP . 1.9 mt -66.28 -19.68 65.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.925 178.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -93.45 21.44 6.18 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.658 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -131.1 -50.94 1.02 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.114 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 pp -74.41 -26.16 59.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.72 -28.17 71.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.549 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -96.34 -41.59 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.77 0.319 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -62.2 -30.81 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.7 tt -66.19 -20.81 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.179 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.59 -11.63 85.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.785 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -152.58 62.14 4.27 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 111.008 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -48.82 -62.67 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.714 2.276 . . . . 0.0 112.408 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.437 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 1.7 p90 -174.35 82.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.76 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.5 t30 56.9 37.89 29.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.803 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 t 51.68 38.17 22.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.181 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.427 ' HA ' ' CE2' ' A' ' 28' ' ' TYR . 1.3 m 60.62 168.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -139.4 53.79 0.68 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.507 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.0 tp -101.46 153.5 19.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.814 0.34 . . . . 0.0 110.487 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -121.52 -139.62 5.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.551 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -155.95 176.74 33.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.499 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.26 -42.99 50.79 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.621 2.214 . . . . 0.0 112.404 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -55.36 -47.5 75.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mp -67.17 -58.3 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.011 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -28.8 3.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -87.14 -26.17 23.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.705 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.479 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -73.63 -17.61 61.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.169 179.124 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.479 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 1.1 m-85 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.21 -0.9 . . . . 1.0 110.748 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.809 0.338 . . . . 1.0 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.4 mt -116.86 151.66 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.17 18.29 22.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.749 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -154.97 22.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.74 0.305 . . . . 0.0 111.039 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -48.77 174.74 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.241 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 5' ' ' MET . 2.4 tt0 -54.06 87.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.433 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -122.17 178.27 1.31 Allowed Pre-proline 0 N--CA 1.454 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 -179.732 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 95.8 Cg_endo -81.65 67.96 8.19 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.43 2.087 . . . . 0.0 112.366 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -103.74 -62.49 1.3 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 14.6 mtp 61.78 39.07 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -114.03 31.42 6.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.1 t -176.93 162.59 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.83 46.22 0.12 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.813 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.3 tt -63.25 159.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 18' ' ' HIS . . . 131.32 13.7 1.87 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.953 -0.642 . . . . 0.0 113.089 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.432 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 8.4 p-90 -49.96 -44.85 50.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.16 0.505 . . . . 0.0 110.698 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.432 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 2.1 mt -65.22 -21.17 66.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.938 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.4 m80 -94.46 20.82 7.85 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.822 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -128.03 -49.46 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.094 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 pp -61.86 -31.84 72.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.619 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.28 -34.13 83.36 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.437 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.78 -34.21 24.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.711 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -59.35 -37.97 79.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.4 mt -65.33 -62.34 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.38 4.58 8.23 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.891 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -110.26 96.83 28.06 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.843 0.321 . . . . 0.0 110.743 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.59 -64.7 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.467 2.111 . . . . 0.0 112.399 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 176.08 38.45 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 51.08 99.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.058 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -107.36 -134.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.468 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -156.06 -56.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 110.829 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.05 31.04 7.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.8 tp -101.29 153.84 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.442 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.86 -103.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.08 155.11 6.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.378 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.37 -34.91 62.85 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.569 2.179 . . . . 0.0 112.248 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.4 m -58.22 -45.16 88.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.794 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.1 mt -70.33 -60.7 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.06 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -47.39 -29.35 2.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.37 -25.86 22.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.786 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.478 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -73.56 -17.16 61.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.327 179.291 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.478 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 1.3 m-85 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.23 -0.89 . . . . 1.0 110.836 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.836 0.351 . . . . 1.0 110.953 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.3 mm -89.52 141.15 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -100.71 61.03 0.63 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -113.37 -33.44 5.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.758 0.313 . . . . 0.0 110.856 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.65 90.93 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.433 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 179.81 37.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.807 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.412 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -141.51 146.17 40.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.787 -179.72 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 24.1 Cg_endo -61.29 85.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.466 2.111 . . . . 0.0 112.266 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -109.03 -65.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.7 mmt -130.46 31.31 4.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -110.69 42.45 1.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.09 95.3 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -60.75 -73.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.5 mm -95.25 160.23 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 156.31 7.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.665 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.463 ' CZ2' ' CD1' ' A' ' 17' ' ' LEU . 8.4 p-90 -50.13 -48.6 53.58 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 117.464 0.632 . . . . 0.0 110.549 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.463 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 4.2 mt -64.33 -21.31 66.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.862 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -93.0 20.08 7.11 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.657 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -127.85 -51.45 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.395 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.447 ' HA ' ' HB3' ' A' ' 23' ' ' GLN . 3.4 pp -64.47 -25.12 67.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.851 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.7 -45.35 93.47 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.575 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -84.07 -30.84 25.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.703 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.447 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 1.1 tt0 -61.77 -37.43 84.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.0 mt -114.26 -42.01 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.211 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.45 12.25 9.0 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.702 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -75.54 113.21 24.13 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.48 0.181 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.68 -63.27 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.448 2.098 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -153.67 -113.95 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.695 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -76.57 124.65 27.94 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.871 0.367 . . . . 0.0 110.963 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.86 78.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.92 40.75 22.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -128.73 25.99 4.62 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.579 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.41 167.46 12.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.803 0.335 . . . . 0.0 110.964 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -151.08 -114.93 0.67 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.592 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.33 -166.37 27.23 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.425 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.46 -46.81 0.84 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.54 2.16 . . . . 0.0 112.397 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.9 m -57.76 -44.51 86.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.4 mp -68.25 -57.52 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.959 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -48.88 -28.92 4.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -87.25 -26.16 23.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.693 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.461 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -72.66 -18.56 61.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.062 0.458 . . . . 0.0 110.141 179.177 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.461 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.341 -0.838 . . . . 1.0 110.814 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.829 0.347 . . . . 1.0 111.096 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.9 mm -113.3 158.25 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -124.91 -69.49 0.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.526 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -121.29 -13.28 8.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.627 0.251 . . . . 0.0 111.392 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.34 -162.46 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 120.77 0.319 . . . . 0.0 111.269 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 66.27 -73.46 0.07 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.417 ' HG3' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -72.46 134.67 82.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.689 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HD2' ' HG3' ' A' ' 7' ' ' GLN . 94.7 Cg_endo -78.47 120.29 4.79 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.878 2.385 . . . . 0.0 112.71 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -118.99 -75.64 0.58 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.937 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 167.28 42.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.712 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 t70 61.77 93.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.78 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.0 p -119.89 175.24 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.21 75.57 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.793 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.1 tt -66.35 159.28 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.203 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 18' ' ' HIS . . . 147.92 13.4 0.14 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.322 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.431 ' CD2' ' HG ' ' A' ' 17' ' ' LEU . 8.9 p-90 -49.82 -45.18 49.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.202 0.525 . . . . 0.0 110.652 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.431 ' HG ' ' CD2' ' A' ' 16' ' ' TRP . 1.4 mt -64.71 -21.7 66.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.014 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.8 m80 -93.72 21.89 6.03 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.675 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -130.44 -47.14 1.08 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.24 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.515 ' HA ' ' CG ' ' A' ' 23' ' ' GLN . 3.0 pp -63.12 -29.39 70.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.892 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.38 -30.21 73.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.976 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -91.43 -57.91 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 111.208 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.515 ' CG ' ' HA ' ' A' ' 20' ' ' LEU . 2.1 pt20 -53.98 -31.25 50.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.448 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.7 tt -54.25 -48.32 67.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.191 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.65 115.15 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.411 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 107.14 0.78 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.596 0.236 . . . . 0.0 111.178 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.49 -53.2 3.04 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.539 2.16 . . . . 0.0 112.212 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -146.78 28.2 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.2 t30 45.93 49.94 11.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.256 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.3 t 56.4 103.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -140.31 -58.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.99 40.19 2.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.546 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.54 166.75 12.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.68 -143.43 15.7 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.4 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.02 54.69 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.56 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.38 -41.38 6.75 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.52 2.146 . . . . 0.0 112.248 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.4 m -55.87 -42.8 76.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.418 HG21 ' CE1' ' A' ' 42' ' ' TYR . 25.3 mt -68.3 -59.19 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.001 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -46.71 -28.92 1.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.267 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -90.49 -24.93 20.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.017 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.9 OUTLIER -73.92 -17.47 61.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.3 179.369 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.51 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.161 -0.923 . . . . 1.0 110.829 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.794 0.33 . . . . 1.0 111.011 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 25.6 mm -131.39 145.54 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.077 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -120.71 -38.84 0.64 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.538 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 70.22 44.0 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.098 0.475 . . . . 0.0 110.603 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.92 103.47 0.07 Allowed 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.413 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 56.47 50.17 13.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.401 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -94.84 171.11 7.03 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.707 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 79.5 Cg_endo -77.92 103.01 1.64 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.563 2.175 . . . . 0.0 112.329 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -111.68 83.43 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.86 57.63 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -146.37 76.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.5 p -99.48 126.76 45.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -111.26 -33.25 6.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 15' ' ' GLY . 8.3 tp -74.09 156.17 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.446 ' N ' HG13 ' A' ' 14' ' ' ILE . . . 124.78 11.98 4.23 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.061 -0.59 . . . . 0.0 113.042 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.44 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 7.2 p-90 -50.52 -43.68 55.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.192 0.52 . . . . 0.0 110.503 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.44 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 2.1 mt -66.12 -21.99 66.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.918 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.9 m80 -93.0 19.91 7.3 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.885 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -127.02 -48.87 1.47 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.055 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 2.7 pp -62.94 -35.42 80.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.566 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.17 -19.11 56.71 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.52 -0.847 . . . . 0.0 112.25 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.74 -40.52 9.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.703 0.287 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 7.7 pt20 -59.31 -34.15 71.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.0 mm -67.26 -65.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.901 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.39 -106.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.568 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.94 94.38 6.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.478 0.18 . . . . 0.0 110.876 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.33 -62.67 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.372 2.048 . . . . 0.0 112.375 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.464 ' O ' ' C ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -165.96 27.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.452 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.464 ' C ' ' O ' ' A' ' 28' ' ' TYR . 28.3 t30 20.85 70.03 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t 47.94 86.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.235 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.43 -71.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.15 -33.75 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.29 165.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.367 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.41 128.54 2.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.434 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.42 72.33 0.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.571 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.28 -42.23 66.72 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.615 2.21 . . . . 0.0 112.205 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.42 -47.44 69.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.441 HG21 ' CE1' ' A' ' 42' ' ' TYR . 3.0 mp -65.0 -56.39 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.016 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.83 -29.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.147 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -88.98 -24.59 22.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ILE . 0.9 OUTLIER -70.19 -21.07 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.04 178.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.441 ' CE1' HG21 ' A' ' 38' ' ' ILE . 2.5 m-85 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.217 -0.897 . . . . 1.0 110.819 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.9 0.381 . . . . 1.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.9 mt -109.87 154.87 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -91.19 -46.37 3.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 69.86 33.33 2.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.001 0.429 . . . . 0.0 110.533 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.24 122.46 11.12 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.367 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 57.35 55.71 5.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.4 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -95.6 168.6 10.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.65 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 69.4 Cg_endo -74.98 90.17 1.1 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.546 2.164 . . . . 0.0 112.347 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -106.21 75.22 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.69 29.47 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.75 -68.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' A' ' 13' ' ' ARG . 4.2 p 70.11 -60.46 0.48 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.304 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' N ' ' OG ' ' A' ' 12' ' ' SER . 4.0 mtp180 70.45 7.93 6.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.492 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 tt -125.45 169.43 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 111.17 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 18' ' ' HIS . . . 116.19 14.78 7.51 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.875 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.47 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 5.1 p-90 -51.62 -40.84 60.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.2 0.524 . . . . 0.0 110.367 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 1.3 mt -67.99 -23.23 65.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.832 178.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.9 m80 -92.86 20.46 6.57 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -127.58 -50.05 1.38 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.178 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.416 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 2.9 pp -60.6 -28.01 68.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.65 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.68 -22.87 70.29 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.288 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.49 -41.58 9.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.718 0.294 . . . . 0.0 110.974 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 2.8 pt20 -59.9 -34.96 73.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.8 mm -72.53 -65.93 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 173.17 -104.41 0.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.635 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.46 123.2 28.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 120.582 0.23 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.83 -49.62 0.53 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.377 2.052 . . . . 0.0 112.383 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -173.7 33.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.206 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 43.23 50.63 5.78 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.392 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t 55.78 62.78 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 t 62.28 17.48 9.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.288 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.11 -34.25 4.79 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.526 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.5 166.22 21.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.994 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.1 88.52 1.78 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.372 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -101.58 146.88 17.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.66 -36.89 90.98 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.503 2.135 . . . . 0.0 112.33 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.53 -51.36 67.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.461 ' O ' ' HD1' ' A' ' 42' ' ' TYR . 2.9 mp -64.76 -58.92 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.06 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -45.64 -28.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.412 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -91.73 -22.8 20.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . 1.3 ttpm? -72.65 -20.72 61.21 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.872 0.368 . . . . 0.0 110.049 179.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.461 ' HD1' ' O ' ' A' ' 38' ' ' ILE . 12.1 m-85 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.241 -0.885 . . . . 1.0 110.902 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.718 0.294 . . . . 1.0 111.098 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.5 mm -101.73 158.46 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.02 55.03 1.33 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.582 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -125.0 -39.8 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.764 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.47 101.88 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.456 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -177.04 -39.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.8 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.414 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 12.6 tt0 -86.76 141.27 33.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.8 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 58.4 Cg_endo -68.91 111.57 2.68 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.75 2.3 . . . . 0.0 112.255 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -115.51 -49.45 2.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.09 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.1 mtt -136.02 68.49 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.031 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.02 -80.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 t 53.42 82.81 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.055 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.5 mtm-85 -58.48 -75.5 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.2 mm -83.92 142.0 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.237 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 168.64 6.6 0.03 OUTLIER Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.686 -0.769 . . . . 0.0 113.55 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.455 ' CZ2' ' CD1' ' A' ' 17' ' ' LEU . 8.6 p-90 -51.03 -47.68 61.63 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 117.39 0.595 . . . . 0.0 110.492 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.455 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 3.7 mt -65.14 -20.11 66.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.84 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -93.01 19.79 7.43 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.73 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.38 -52.55 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.103 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 pp -61.61 -24.36 66.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.746 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.98 -55.74 19.76 Favored Glycine 0 C--N 1.333 0.415 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.318 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -79.91 -28.53 39.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 0.0 110.476 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -57.09 -38.58 73.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.963 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.1 mt -112.89 -41.45 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.17 12.17 7.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.998 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.0 133.61 30.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 110.744 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.07 -49.46 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.437 2.091 . . . . 0.0 112.426 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -169.72 -110.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.825 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.23 70.73 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -106.94 52.23 0.72 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.6 t -179.51 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -117.57 47.04 1.07 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.6 tp -79.35 154.75 28.82 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 110.425 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -151.74 -160.41 9.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.624 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 178.11 -169.72 41.63 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.83 -46.28 24.11 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.638 2.225 . . . . 0.0 112.442 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -54.7 -50.47 68.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.053 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.6 mp -61.98 -55.49 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -48.49 -29.66 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -85.84 -25.67 26.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.482 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -71.63 -19.83 62.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.013 178.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.482 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 3.7 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.264 -0.874 . . . . 1.0 110.805 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.842 0.353 . . . . 1.0 111.019 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.24 141.81 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.63 -96.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.438 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -120.08 -38.04 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.687 0.279 . . . . 0.0 110.906 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.59 132.46 10.83 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.301 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -97.97 -42.94 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.048 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.42 134.98 90.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -86.1 129.78 3.41 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.766 2.31 . . . . 0.0 112.662 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -165.52 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.843 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.7 mmt 54.69 30.05 12.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.131 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.33 29.77 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.22 78.16 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.057 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' O ' HG22 ' A' ' 14' ' ' ILE . 18.4 mmt85 -106.42 -51.21 2.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER 44.21 -169.93 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.843 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.43 ' N ' ' CG2' ' A' ' 14' ' ' ILE . . . 106.63 14.91 18.45 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.755 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.449 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 6.6 p-90 -50.96 -43.78 60.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.207 0.527 . . . . 0.0 110.593 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.449 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 5.4 mt -65.55 -22.51 66.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.91 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.4 m80 -93.52 21.29 6.38 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.858 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -128.94 -49.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.321 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.02 -28.79 69.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.856 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.28 -36.59 93.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.44 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.81 -40.1 23.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.765 0.316 . . . . 0.0 110.807 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -62.81 -28.82 70.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.464 ' CG2' ' O ' ' A' ' 24' ' ' ILE . 24.2 mm 42.27 70.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 121.249 0.547 . . . . 0.0 111.143 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.18 -10.52 85.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.836 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.8 121.19 79.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.571 0.185 . . . . 0.0 110.807 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.04 -42.18 66.45 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.429 2.086 . . . . 0.0 112.318 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.59 44.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 49.53 90.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.2 t -116.94 -134.98 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 t 69.33 114.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.71 47.82 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.36 166.87 4.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.319 . . . . 0.0 110.9 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 156.25 -41.92 0.56 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.493 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -131.33 139.87 11.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.433 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.92 -42.37 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.562 2.174 . . . . 0.0 112.343 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.43 -45.22 84.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.767 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.5 mp -66.02 -58.62 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.071 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -48.36 -28.87 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.65 -26.93 25.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.637 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.48 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -72.78 -18.3 61.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.027 0.441 . . . . 0.0 110.145 179.028 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.48 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 1.7 m-85 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.107 -0.949 . . . . 1.0 110.829 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.785 0.326 . . . . 1.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.1 mm -116.17 20.98 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.371 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.93 -34.91 2.55 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -156.58 -41.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.804 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.59 95.23 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.602 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.07 -23.57 38.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.991 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.426 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -71.79 159.88 84.21 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.536 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 18.7 Cg_endo -58.44 -156.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.744 2.296 . . . . 0.0 112.14 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 8' ' ' PRO . 14.2 p80 49.81 32.89 5.74 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.853 0.358 . . . . 0.0 111.442 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.0 mmt -141.77 38.92 1.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.97 -77.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.984 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 t 61.12 47.09 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.15 45.46 11.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.814 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.7 tt -77.38 159.7 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.276 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 18' ' ' HIS . . . 128.71 13.15 2.56 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.974 -0.631 . . . . 0.0 113.159 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.435 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 6.1 p-90 -50.9 -38.93 52.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.134 0.492 . . . . 0.0 110.53 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.435 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 4.2 mt -71.05 -21.88 62.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.017 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.2 m80 -93.48 21.51 6.15 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -131.91 -48.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.215 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.469 ' HA ' ' HB3' ' A' ' 23' ' ' GLN . 3.6 pp -65.63 -18.48 65.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.941 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.44 -53.41 43.48 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.575 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -86.08 -32.49 21.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.834 0.349 . . . . 0.0 110.674 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.469 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 2.7 tp-100 -58.1 -37.96 75.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.783 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.467 ' CG2' ' O ' ' A' ' 24' ' ' ILE . 5.7 mt 40.57 68.66 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-O 121.282 0.563 . . . . 0.0 111.252 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.22 -8.99 70.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.853 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.11 148.23 47.18 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-O 120.595 0.236 . . . . 0.0 110.973 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.74 -14.51 32.15 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.679 2.253 . . . . 0.0 112.585 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -156.81 98.27 1.77 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.185 0.517 . . . . 0.0 110.492 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -57.24 79.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.415 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER 52.98 104.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.416 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.16 131.97 46.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.834 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.26 66.23 0.32 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.592 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 tp -72.85 156.79 38.52 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 110.341 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -47.28 116.43 2.62 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.835 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -170.16 106.21 0.24 Allowed Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.381 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.96 -37.77 37.64 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.55 2.166 . . . . 0.0 112.453 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -59.06 -42.25 89.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.825 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.3 mt -70.07 -60.67 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.224 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.39 -29.2 2.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.211 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.81 -25.61 22.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.92 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.6 OUTLIER -73.98 -16.94 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.315 179.179 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.281 -0.866 . . . . 1.0 110.805 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.816 0.341 . . . . 1.0 111.073 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 mp -92.37 155.58 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -79.3 -76.94 0.94 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.78 20.68 10.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.672 0.272 . . . . 0.0 111.063 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.91 103.34 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.456 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -133.95 21.86 3.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.058 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.443 ' N ' ' HD3' ' A' ' 8' ' ' PRO . 3.9 tt0 36.94 56.6 3.55 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.699 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 7' ' ' GLN . 67.0 Cg_endo -89.21 30.2 0.41 Allowed 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.825 2.35 . . . . 0.0 112.658 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.11 101.78 3.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 111.031 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.5 mtt -123.18 34.26 5.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 72.23 -58.88 0.58 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.977 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t -154.52 125.42 7.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -52.23 19.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.7 tt -78.26 160.13 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.7 15.37 0.48 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.32 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.458 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 3.9 p-90 -51.68 -37.7 51.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.092 0.472 . . . . 0.0 110.439 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 3.6 mt -72.39 -22.32 61.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.001 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -93.72 20.95 6.91 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -131.43 -46.8 0.98 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.303 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.73 -25.88 66.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.861 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.65 -28.09 73.28 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.564 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -93.4 -33.55 13.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.15 -36.52 82.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.2 tt -72.7 -39.98 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.235 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.56 121.74 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 pttm -108.5 143.23 27.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.603 0.239 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.46 -58.83 1.07 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.404 2.069 . . . . 0.0 112.272 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.2 OUTLIER 177.59 108.76 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.698 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -57.99 79.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.019 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER 46.36 30.43 1.04 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.374 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.72 131.4 43.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.89 -24.18 70.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.537 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.44 166.36 1.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.337 . . . . 0.0 110.969 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.92 -113.83 1.64 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.43 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.31 152.64 24.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.15 -38.62 8.85 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.459 2.106 . . . . 0.0 112.299 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -46.14 84.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.89 -59.09 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.17 -29.48 3.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.78 -26.32 24.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.675 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.511 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -72.21 -18.48 61.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.11 179.115 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.511 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 1.7 m-85 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.099 -0.953 . . . . 1.0 110.813 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.892 0.377 . . . . 1.0 110.98 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.1 mp -91.35 159.69 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.23 -26.83 51.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.646 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 68.0 86.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.679 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -162.25 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.173 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.45 82.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.828 0.347 . . . . 0.0 110.998 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.426 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -109.46 161.11 25.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.619 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 36.8 Cg_endo -65.48 95.46 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.423 2.082 . . . . 0.0 112.215 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -110.51 77.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 mtt 58.87 25.48 13.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 t70 55.26 79.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.6 p -71.34 -176.19 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.742 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 70.34 94.21 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.8 tt -79.66 159.91 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.171 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' HIS . . . 129.59 13.35 2.31 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.156 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.446 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 6.6 p-90 -50.77 -38.93 50.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.162 0.506 . . . . 0.0 110.566 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.446 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 1.4 mt -71.26 -21.71 62.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.078 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.5 m80 -93.29 20.46 7.02 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.097 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -131.89 -45.71 0.95 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.185 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.56 ' HA ' ' CG ' ' A' ' 23' ' ' GLN . 3.2 pp -67.38 -25.44 65.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.928 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.98 -19.9 68.24 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.988 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.88 -44.29 5.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.742 0.306 . . . . 0.0 111.118 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.56 ' CG ' ' HA ' ' A' ' 20' ' ' LEU . 1.8 pt20 -68.72 -25.2 64.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.31 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 tt -52.44 -27.43 10.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.303 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.38 124.4 0.16 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.55 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.97 154.08 77.68 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.754 0.311 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 28' ' ' TYR . 67.4 Cg_endo -73.34 61.94 4.26 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.665 2.243 . . . . 0.0 112.146 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -26.76 -86.8 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.136 179.616 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -131.03 68.61 1.48 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -101.11 31.43 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.77 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.67 -169.33 1.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.4 -63.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.574 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.56 166.17 8.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.823 0.344 . . . . 0.0 110.997 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.94 161.01 10.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.8 91.18 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.503 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.31 -44.85 0.99 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.601 2.2 . . . . 0.0 112.458 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -54.34 -44.32 72.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.1 mp -68.92 -59.25 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.188 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.83 -29.22 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.46 -25.78 22.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.795 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.463 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -71.89 -19.21 61.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.097 179.281 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.778 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.829 0.347 . . . . 1.0 111.048 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mt -94.05 141.6 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.15 52.44 3.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.518 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.54 -68.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -46.98 121.58 3.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -137.13 28.88 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.27 163.72 22.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -77.49 67.23 7.86 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.652 2.235 . . . . 0.0 112.372 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -85.99 73.39 10.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.1 mtt -87.99 -100.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -131.92 54.21 1.95 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.0 t -59.93 111.15 1.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' O ' HG23 ' A' ' 14' ' ' ILE . 7.6 mtt85 -101.27 -8.44 22.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.442 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER 44.67 -170.22 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 120.794 0.331 . . . . 0.0 111.748 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.416 ' N ' ' CG2' ' A' ' 14' ' ' ILE . . . 120.88 14.09 5.28 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.971 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.45 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 7.2 p-90 -50.46 -44.36 55.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.111 0.481 . . . . 0.0 110.506 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 1.6 mt -65.56 -21.3 66.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.012 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' GLY . 8.4 m80 -93.94 19.67 8.73 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.869 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -126.84 -52.56 1.44 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.045 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 pp -59.25 -28.59 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.749 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.59 -36.35 93.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.283 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.16 -37.2 46.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 0.0 110.765 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -58.62 -45.65 88.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.4 mm -74.38 -60.98 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.081 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.4 92.11 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.431 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.67 87.88 55.12 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 120.707 0.289 . . . . 0.0 110.796 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.27 -64.78 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.548 2.165 . . . . 0.0 112.31 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 171.62 70.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.911 0.386 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.8 t30 51.08 90.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.8 p -92.79 52.35 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 m -68.88 152.03 45.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.16 -35.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.565 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.65 166.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.351 . . . . 0.0 110.952 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -121.98 74.73 0.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.595 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.04 141.51 12.21 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.38 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.11 -44.68 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.45 2.1 . . . . 0.0 112.401 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 m -56.23 -44.62 79.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.801 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.7 mp -68.75 -59.15 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.017 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -28.38 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.47 -24.09 20.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.917 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HD2' ' CZ ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -72.01 -20.13 61.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.158 179.254 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.476 ' CZ ' ' HD2' ' A' ' 41' ' ' LYS . 6.7 m-85 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.812 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.846 0.355 . . . . 1.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mp -99.47 21.42 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.336 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.49 -85.64 1.27 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.332 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -166.51 -41.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.738 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.81 135.19 24.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.388 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -97.87 26.43 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -130.98 150.13 75.73 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.701 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -73.73 102.84 1.55 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.521 2.147 . . . . 0.0 112.365 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 53.4 m170 -115.59 -95.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.77 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.1 mtt 43.34 54.02 5.32 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.779 0.323 . . . . 0.0 111.632 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.38 -84.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.99 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 173.52 81.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.706 0.289 . . . . 0.0 110.819 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' O ' HG22 ' A' ' 14' ' ' ILE . 0.0 OUTLIER -106.78 -58.39 1.94 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 179.918 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.437 ' CG2' ' N ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER 43.71 -168.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.682 179.911 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.437 ' N ' ' CG2' ' A' ' 14' ' ' ILE . . . 97.6 13.78 43.08 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.756 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.446 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 6.2 p-90 -51.43 -42.05 61.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.157 0.503 . . . . 0.0 110.452 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.446 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 1.5 mt -66.9 -22.01 65.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.766 178.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.6 m80 -93.77 21.23 6.69 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.7 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -128.91 -50.1 1.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.4 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.13 -28.85 68.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.817 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.77 -46.92 93.55 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.41 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.25 -38.04 66.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.749 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -63.82 -25.23 68.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.024 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.453 ' CG2' ' O ' ' A' ' 24' ' ' ILE . 21.4 mm 44.41 72.54 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 121.27 0.557 . . . . 0.0 111.045 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.86 -10.73 72.91 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.793 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.47 131.07 37.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.519 0.2 . . . . 0.0 110.745 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.436 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 63.6 Cg_endo -74.11 -38.73 1.99 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.388 2.059 . . . . 0.0 112.416 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.436 ' CD1' ' HG2' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -147.48 33.07 0.87 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.01 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 48.2 79.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.102 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.6 p -97.47 -132.04 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.628 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 77.08 104.46 0.07 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.868 0.365 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.62 40.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.286 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.4 170.12 7.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.981 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.12 59.7 0.28 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.538 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.53 98.79 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -51.26 -34.48 49.42 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.536 2.158 . . . . 0.0 112.304 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.83 -46.81 86.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.5 mp -67.11 -59.14 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.067 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -47.81 -29.21 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.19 -26.21 23.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.755 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.48 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -73.5 -17.71 61.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.206 179.17 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.48 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.183 -0.913 . . . . 1.0 110.828 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.826 0.345 . . . . 1.0 111.077 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.9 mp -118.94 158.78 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.43 41.97 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.592 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 179.22 -63.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.835 0.35 . . . . 0.0 110.798 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -46.64 133.49 10.33 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -172.29 -41.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.92 156.99 69.59 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.48 96.05 1.07 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.627 2.218 . . . . 0.0 112.314 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -100.41 -53.41 3.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 59.09 71.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -113.4 30.01 7.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 p -120.65 29.24 7.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -105.72 55.62 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.999 0.428 . . . . 0.0 110.758 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.442 HD11 HG23 ' A' ' 14' ' ' ILE . 4.5 mt -81.62 135.99 23.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.16 12.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.728 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.442 ' CZ2' ' CD1' ' A' ' 17' ' ' LEU . 9.8 p-90 -51.86 -46.02 64.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.251 0.548 . . . . 0.0 110.317 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.442 ' CD1' ' CZ2' ' A' ' 16' ' ' TRP . 2.0 mt -65.46 -20.47 66.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.77 178.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -93.61 18.74 9.54 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.678 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -126.27 -46.84 1.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.197 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.72 -29.55 66.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.808 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.09 -32.96 83.97 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.429 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -82.22 -31.82 30.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.809 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -63.7 -46.49 85.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.731 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.3 mt -90.16 -67.72 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.092 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.31 10.54 33.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.872 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.77 138.29 82.67 Favored Pre-proline 0 N--CA 1.451 -0.39 0 CA-C-N 116.608 0.204 . . . . 0.0 110.915 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 28' ' ' TYR . 14.3 Cg_exo -68.99 59.28 1.24 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.669 2.246 . . . . 0.0 112.561 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER 23.06 72.9 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.054 0.541 . . . . 0.0 112.413 179.68 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 60.98 -81.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -162.1 113.75 1.66 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 110.995 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.437 ' CB ' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -153.78 -45.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -131.11 54.86 0.78 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.308 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.3 15.09 14.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.033 0.445 . . . . 0.0 111.441 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -46.73 135.91 10.11 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.698 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.53 -108.07 1.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.79 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.97 -25.56 38.29 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.529 2.153 . . . . 0.0 112.532 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 t -57.34 -64.12 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.904 0.383 . . . . 0.0 110.721 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.438 HG23 ' CE1' ' A' ' 42' ' ' TYR . 52.8 mt -66.42 -50.31 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.849 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -49.61 -27.27 4.36 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.371 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.69 -21.43 17.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.057 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.526 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -72.42 -20.17 61.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.937 0.398 . . . . 0.0 110.184 179.327 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.526 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.758 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.852 0.358 . . . . 1.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -93.7 142.97 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.784 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.42 ' N ' HG13 ' A' ' 2' ' ' ILE . . . -68.87 74.48 0.34 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.565 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -155.94 27.1 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.67 132.37 17.63 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.437 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.423 ' HA ' ' CE1' ' A' ' 9' ' ' HIS . 3.6 tt0 -146.32 67.68 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.974 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.421 ' CB ' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -99.52 -59.12 0.12 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.562 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HD2' ' CE1' ' A' ' 9' ' ' HIS . 86.4 Cg_endo -84.49 41.31 0.97 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.517 2.145 . . . . 0.0 113.172 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.426 ' CE1' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -174.76 77.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 110.65 179.411 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.51 15.04 24.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.323 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -178.35 37.44 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.77 0.319 . . . . 0.0 110.809 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.4 -52.01 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 57.91 61.38 2.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.43 ' CD1' ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -58.35 152.07 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.179 -179.814 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.43 ' N ' ' CD1' ' A' ' 14' ' ' ILE . . . 114.22 8.29 17.44 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.831 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.429 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 7.9 p-90 -51.94 -42.79 63.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.213 0.53 . . . . 0.0 110.294 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.429 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 2.8 mt -68.08 -21.23 64.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.783 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -93.07 20.93 6.26 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.576 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -129.78 -49.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.264 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.15 -27.09 67.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.742 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.2 -24.48 73.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.307 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.64 -40.68 11.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -60.24 -38.29 82.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.5 tt -97.21 40.44 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 110.931 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.48 10.8 72.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.761 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -51.8 106.49 0.66 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.516 0.198 . . . . 0.0 111.245 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -82.22 -5.09 11.95 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.459 2.106 . . . . 0.0 112.757 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.501 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -156.29 94.85 1.54 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.027 0.441 . . . . 0.0 111.105 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t30 60.29 -81.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.064 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' TYR . 9.1 t -164.94 -132.16 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.388 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.2 m -81.18 115.84 20.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.765 0.316 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.12 -54.06 0.63 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.58 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -168.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.5 174.09 27.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.383 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -170.3 -64.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.747 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.42 -47.51 1.01 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.538 2.158 . . . . 0.0 112.647 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -55.72 -42.29 75.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.742 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.3 mp -71.33 -59.66 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.98 -30.01 3.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.196 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -88.82 -25.36 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.473 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 2.6 tppm? -73.43 -17.19 61.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.391 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.473 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.86 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.901 0.381 . . . . 1.0 111.045 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mp -112.43 21.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.315 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.08 62.33 6.33 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.544 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.03 67.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -44.77 102.99 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.586 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -157.27 37.12 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.972 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.35 165.42 12.68 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.07 85.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.647 2.231 . . . . 0.0 112.343 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -113.1 60.55 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.1 mtm 59.14 61.26 2.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.67 52.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.96 -173.98 2.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 62.98 63.32 0.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.011 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.6 mm -110.26 -25.7 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.315 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' HA2' ' ND1' ' A' ' 18' ' ' HIS . . . -82.61 6.51 69.04 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.483 -0.865 . . . . 0.0 113.008 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.47 ' CE2' ' CD1' ' A' ' 17' ' ' LEU . 7.3 p-90 -51.28 -46.76 62.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 117.157 0.478 . . . . 0.0 110.354 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.47 ' CD1' ' CE2' ' A' ' 16' ' ' TRP . 1.4 mp -64.92 -22.06 66.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.579 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.412 ' ND1' ' HA2' ' A' ' 15' ' ' GLY . 9.3 m80 -91.47 17.91 7.98 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.847 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -126.0 -44.81 1.75 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.424 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -32.9 74.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.591 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.78 -29.97 68.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.651 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -97.72 -30.35 12.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 111.093 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -67.61 -30.9 70.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.9 mt -99.36 -51.32 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.25 114.17 3.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.545 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.17 119.62 38.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.514 0.197 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.22 -63.39 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.391 2.061 . . . . 0.0 112.262 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -170.59 31.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.007 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 t30 54.1 -86.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' TYR . 1.4 p -152.68 44.45 0.68 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.53 157.18 31.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.63 -32.07 31.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.583 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.32 171.26 8.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.319 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -127.1 -115.2 1.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.57 -70.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.19 -34.2 28.71 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.689 2.259 . . . . 0.0 112.311 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.17 -58.8 6.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.192 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.89 -49.6 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.194 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.576 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -48.9 -29.3 4.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.963 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.32 -21.75 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.081 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -73.11 -19.37 61.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.948 0.404 . . . . 0.0 110.245 179.334 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.475 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.23 -0.891 . . . . 1.0 110.781 179.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.912 0.387 . . . . 1.0 111.073 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.3 mp -80.8 160.58 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.997 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.62 4.34 82.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.06 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -119.93 -28.34 5.2 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 122.726 -0.279 . . . . 0.0 111.14 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.68 109.31 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.672 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 56.84 38.22 29.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.481 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 2.5 tp-100 -83.34 -49.19 0.73 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.481 ' HD3' ' HB3' ' A' ' 7' ' ' GLN . 88.8 Cg_endo -82.37 -150.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.409 2.073 . . . . 0.0 111.882 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.481 ' CE1' ' HG2' ' A' ' 8' ' ' PRO . 1.2 m80 71.41 73.89 0.18 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.979 0.419 . . . . 0.0 110.843 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.1 mmt -137.93 48.3 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.77 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.4 t0 61.41 34.17 18.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 m 61.13 62.83 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER 59.7 68.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.43 ' O ' ' O ' ' A' ' 13' ' ' ARG . 2.1 tt 48.93 173.2 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.991 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' HIS . . . 121.57 15.98 4.32 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.895 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.465 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 5.2 p-90 -49.97 -39.95 42.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.136 0.493 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.465 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 3.8 mt -72.17 -22.16 61.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.203 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' GLY . 6.0 m80 -93.86 20.4 7.73 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -130.78 -46.27 1.05 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.344 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.13 -24.45 66.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.828 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.71 -35.04 91.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.559 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.56 -30.93 13.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.765 0.317 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -70.21 -28.39 65.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.7 tt -61.13 -45.69 98.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.086 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.41 127.07 0.84 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.538 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.57 112.33 59.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.441 0.162 . . . . 0.0 110.596 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.11 -23.58 39.61 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.546 2.164 . . . . 0.0 112.655 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.404 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.2 OUTLIER -158.95 40.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.333 . . . . 0.0 111.07 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.9 t30 59.08 -82.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.953 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 28' ' ' TYR . 1.3 t -178.05 46.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.842 0.353 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.5 t 61.78 79.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.07 52.14 0.46 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.533 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 111.89 1.72 Allowed 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 120.75 0.31 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.0 -41.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 59.82 83.81 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.488 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.55 -37.23 17.42 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.574 2.183 . . . . 0.0 112.354 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -40.67 85.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 mt -71.56 -62.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -47.54 -29.27 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.284 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.1 -26.28 22.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.861 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.461 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 2.0 tppm? -75.49 -15.08 60.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.37 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.461 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.238 -0.887 . . . . 1.0 110.758 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.802 0.334 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 3' ' ' GLY . 16.0 mt -87.23 159.29 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.491 ' N ' HG22 ' A' ' 2' ' ' ILE . . . 177.99 -33.0 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.649 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -103.02 36.96 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.39 . . . . 0.0 110.631 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -49.53 163.65 0.11 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.436 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.66 65.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.444 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -96.8 168.67 9.97 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 52.2 Cg_endo -69.42 64.29 1.6 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.367 2.045 . . . . 0.0 112.316 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -93.04 -54.2 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.9 mmt -124.8 32.58 5.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.61 -74.68 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.63 165.9 1.35 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.28 -48.71 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.747 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.666 HG23 ' N ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER 43.92 -168.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.752 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.666 ' N ' HG23 ' A' ' 14' ' ' ILE . . . 79.71 12.54 83.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.691 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 4.8 p-90 -52.33 -40.48 61.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.118 0.485 . . . . 0.0 110.316 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.485 ' HA ' HD21 ' A' ' 20' ' ' LEU . 2.2 mt -67.94 -21.99 65.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.611 0.72 . . . . 0.0 109.887 178.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -93.73 20.83 7.06 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.818 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -128.98 -47.38 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.141 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.485 HD21 ' HA ' ' A' ' 17' ' ' LEU . 2.7 pp -59.54 -26.23 65.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.745 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.12 -43.5 95.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -82.65 -32.15 28.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.749 0.309 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.408 ' HB2' ' HA ' ' A' ' 20' ' ' LEU . 1.3 mp0 -58.81 -42.56 89.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.7 mt -98.16 -67.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.27 126.38 2.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.569 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -129.28 71.85 82.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.312 . . . . 0.0 110.809 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.5 -34.92 41.04 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.538 2.159 . . . . 0.0 112.485 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 30' ' ' SER . 0.2 OUTLIER -159.5 40.12 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 111.063 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.4 t30 49.62 92.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.058 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.421 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -140.79 54.58 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.784 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m 62.41 165.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.23 54.25 0.61 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.604 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -79.28 167.18 21.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 110.941 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.604 ' H ' HD23 ' A' ' 33' ' ' LEU . . . -108.97 81.35 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.681 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.35 63.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.556 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.49 -43.45 45.65 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.571 2.18 . . . . 0.0 112.331 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -56.35 -44.33 79.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.656 HG23 ' HE1' ' A' ' 42' ' ' TYR . 4.1 mp -66.19 -59.3 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.69 -28.99 2.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -87.25 -26.16 23.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.851 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.501 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -74.17 -17.32 60.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.21 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.656 ' HE1' HG23 ' A' ' 38' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.262 -0.875 . . . . 1.0 110.772 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.861 0.362 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.4 mt -91.12 148.86 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.21 37.12 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -161.23 32.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.24 173.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.367 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -69.75 66.2 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.444 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -96.32 169.74 8.52 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.662 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 59.9 Cg_endo -72.91 81.28 1.67 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.353 2.036 . . . . 0.0 112.292 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -106.66 79.17 1.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 59.96 31.61 20.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -112.96 -66.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.3 t -178.76 158.84 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -129.62 -52.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.672 HG23 ' N ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER 43.83 -168.07 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.72 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.672 ' N ' HG23 ' A' ' 14' ' ' ILE . . . 94.09 16.02 45.99 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.723 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 4.4 p-90 -51.27 -38.66 53.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.159 0.504 . . . . 0.0 110.517 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.475 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 4.1 mt -72.61 -21.96 61.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.004 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' GLY . 5.9 m80 -94.24 20.67 7.81 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.979 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -130.46 -50.32 1.08 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.224 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -63.98 -24.09 67.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.78 179.564 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.39 -54.53 31.77 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.26 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.41 -25.06 29.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.589 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -56.69 -35.96 69.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.957 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.3 mm -91.38 -57.15 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.81 16.61 7.89 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.796 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -48.59 125.2 12.5 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.559 0.219 . . . . 0.0 111.374 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 32.1 Cg_exo -58.09 -63.36 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.393 2.062 . . . . 0.0 112.382 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.425 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 3.6 p90 -134.81 49.85 2.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.1 t30 52.32 68.78 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.006 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.51 78.05 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m 60.91 102.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.52 29.81 9.75 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.593 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.471 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -67.81 171.14 6.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.785 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.471 ' H ' HD23 ' A' ' 33' ' ' LEU . . . -110.09 109.88 2.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.624 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.78 70.25 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.534 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.71 -47.9 1.76 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.69 2.26 . . . . 0.0 112.25 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -41.93 68.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.94 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.595 HG23 ' HE1' ' A' ' 42' ' ' TYR . 2.0 mp -68.89 -60.97 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.052 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -28.56 2.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -86.57 -27.07 24.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -75.35 -15.6 60.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.321 179.224 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.595 ' HE1' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.871 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.839 0.352 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 mp -92.07 139.89 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.28 87.46 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -99.09 14.47 29.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.626 0.25 . . . . 0.0 111.205 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.96 92.6 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.833 0.349 . . . . 0.0 111.453 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.407 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 3.0 tt0 -82.98 -156.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.421 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.36 52.38 3.09 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 120.614 0.245 . . . . 0.0 111.342 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HD3' ' HB3' ' A' ' 6' ' ' GLU . 90.6 Cg_endo -78.53 55.37 5.43 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.503 2.135 . . . . 0.0 112.253 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -146.42 82.3 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.957 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.7 mtp -94.89 44.45 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -107.43 30.19 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 20.9 m -148.48 170.17 18.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 12' ' ' SER . 19.7 mmm180 81.34 -47.45 0.24 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.256 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.429 HG13 ' N ' ' A' ' 15' ' ' GLY . 8.3 tp -57.38 156.66 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.382 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.429 ' N ' HG13 ' A' ' 14' ' ' ILE . . . 118.19 15.59 6.02 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.927 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.471 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 3.6 p-90 -51.51 -38.26 53.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.047 0.451 . . . . 0.0 110.424 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 1.8 mt -71.98 -22.08 61.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.023 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' GLY . 6.9 m80 -93.88 20.83 7.23 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -130.34 -47.5 1.09 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.051 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 17' ' ' LEU . 3.4 pp -60.84 -28.22 68.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.583 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.84 -31.94 73.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -79.62 -40.06 30.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.328 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -61.0 -43.34 99.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.8 mt -77.11 -66.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.45 128.5 6.28 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.74 110.35 44.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.49 0.186 . . . . 0.0 110.761 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.89 -45.91 2.81 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.434 2.09 . . . . 0.0 112.339 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.428 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -149.49 -114.16 0.06 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.89 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.47 -48.43 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.75 0.31 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t 60.7 109.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m 61.11 75.54 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.31 -71.47 0.73 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.66 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -83.16 167.53 17.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.861 0.363 . . . . 0.0 110.949 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.66 ' H ' HD23 ' A' ' 33' ' ' LEU . . . -71.78 -43.39 51.07 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.456 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.34 86.68 0.29 Allowed Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.27 -41.4 66.91 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.675 2.25 . . . . 0.0 112.458 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -55.15 -47.53 74.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.982 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.669 HG23 ' HE1' ' A' ' 42' ' ' TYR . 4.2 mp -68.3 -58.73 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.068 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -47.85 -29.06 2.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -88.86 -25.35 22.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.857 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.502 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -73.04 -18.19 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.182 179.144 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.669 ' HE1' HG23 ' A' ' 38' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.847 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.838 0.351 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.456 HG21 ' HB3' ' A' ' 5' ' ' MET . 3.7 mp -108.53 157.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.009 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.453 ' N ' HG22 ' A' ' 2' ' ' ILE . . . -62.22 -70.62 0.99 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -125.69 -35.78 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 111.022 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.456 ' HB3' HG21 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -45.23 102.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.539 -179.737 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.66 -46.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.746 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.566 ' O ' ' CE1' ' A' ' 9' ' ' HIS . 0.0 OUTLIER -83.41 154.87 66.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.837 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -77.94 130.07 10.19 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.589 2.193 . . . . 0.0 112.375 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.566 ' CE1' ' O ' ' A' ' 7' ' ' GLN . 2.1 p-80 176.93 120.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.682 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER 32.34 61.7 0.33 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.958 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -99.32 -35.2 10.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 p 56.67 59.54 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -155.85 -60.02 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.469 HG22 ' CD1' ' A' ' 16' ' ' TRP . 5.2 mm -94.43 133.85 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.323 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.06 12.64 0.17 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.224 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.621 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 10.8 p-90 -52.54 -44.03 65.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.2 0.524 . . . . 0.0 110.425 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.621 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 1.9 mt -66.28 -19.68 65.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.925 178.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -93.45 21.44 6.18 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.658 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -131.1 -50.94 1.02 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.114 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 pp -74.41 -26.16 59.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.72 -28.17 71.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.549 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -96.34 -41.59 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.77 0.319 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -62.2 -30.81 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.7 tt -66.19 -20.81 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.179 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.59 -11.63 85.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.785 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -152.58 62.14 4.27 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 111.008 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -48.82 -62.67 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.714 2.276 . . . . 0.0 112.408 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.438 ' CE2' ' HA ' ' A' ' 31' ' ' SER . 1.7 p90 -174.35 82.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.76 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.5 t30 56.9 37.89 29.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.803 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 t 51.68 38.17 22.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.181 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.438 ' HA ' ' CE2' ' A' ' 28' ' ' TYR . 1.3 m 60.62 168.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -139.4 53.79 0.68 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.507 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.569 HD12 ' H ' ' A' ' 34' ' ' GLY . 15.0 tp -101.46 153.5 19.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.814 0.34 . . . . 0.0 110.487 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.569 ' H ' HD12 ' A' ' 33' ' ' LEU . . . -121.52 -139.62 5.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.551 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.427 ' N ' HD13 ' A' ' 38' ' ' ILE . . . -155.95 176.74 33.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.499 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.26 -42.99 50.79 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.621 2.214 . . . . 0.0 112.404 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -55.36 -47.5 75.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.669 HG23 ' HE1' ' A' ' 42' ' ' TYR . 4.1 mp -67.17 -58.3 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.011 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -28.8 3.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -87.14 -26.17 23.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.705 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.498 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -73.63 -17.61 61.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.169 179.124 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.669 ' HE1' HG23 ' A' ' 38' ' ' ILE . 1.1 m-85 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.21 -0.9 . . . . 1.0 110.748 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.809 0.338 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.4 mt -116.86 151.66 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.17 18.29 22.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.749 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -154.97 22.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.74 0.305 . . . . 0.0 111.039 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -48.77 174.74 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.241 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 5' ' ' MET . 2.4 tt0 -54.06 87.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.467 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -122.17 178.27 1.31 Allowed Pre-proline 0 N--CA 1.454 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 -179.732 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 95.8 Cg_endo -81.65 67.96 8.19 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.43 2.087 . . . . 0.0 112.366 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -103.74 -62.49 1.3 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 14.6 mtp 61.78 39.07 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -114.03 31.42 6.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.1 t -176.93 162.59 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.83 46.22 0.12 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.813 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.3 tt -63.25 159.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 18' ' ' HIS . . . 131.32 13.7 1.87 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.953 -0.642 . . . . 0.0 113.089 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.567 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 8.4 p-90 -49.96 -44.85 50.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.16 0.505 . . . . 0.0 110.698 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.567 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 2.1 mt -65.22 -21.17 66.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.938 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.4 m80 -94.46 20.82 7.85 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.822 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -128.03 -49.46 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.094 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 pp -61.86 -31.84 72.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.619 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.402 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . -60.28 -34.13 83.36 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.437 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.78 -34.21 24.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.711 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -59.35 -37.97 79.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.402 HD12 ' HA2' ' A' ' 21' ' ' GLY . 8.4 mt -65.33 -62.34 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.38 4.58 8.23 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.891 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -110.26 96.83 28.06 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.843 0.321 . . . . 0.0 110.743 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.59 -64.7 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.467 2.111 . . . . 0.0 112.399 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 176.08 38.45 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 51.08 99.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.058 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -107.36 -134.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.468 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -156.06 -56.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 110.829 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.05 31.04 7.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.552 HD12 ' H ' ' A' ' 34' ' ' GLY . 14.8 tp -101.29 153.84 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.442 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.552 ' H ' HD12 ' A' ' 33' ' ' LEU . . . -67.86 -103.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.08 155.11 6.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.378 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.37 -34.91 62.85 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.569 2.179 . . . . 0.0 112.248 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.4 m -58.22 -45.16 88.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.794 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.654 HG23 ' HE1' ' A' ' 42' ' ' TYR . 3.1 mt -70.33 -60.7 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.06 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -47.39 -29.35 2.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.37 -25.86 22.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.786 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.483 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -73.56 -17.16 61.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.327 179.291 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.654 ' HE1' HG23 ' A' ' 38' ' ' ILE . 1.3 m-85 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.23 -0.89 . . . . 1.0 110.836 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.836 0.351 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.3 mm -89.52 141.15 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -100.71 61.03 0.63 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -113.37 -33.44 5.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.758 0.313 . . . . 0.0 110.856 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.65 90.93 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.433 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 179.81 37.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.807 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.421 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -141.51 146.17 40.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.787 -179.72 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 24.1 Cg_endo -61.29 85.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.466 2.111 . . . . 0.0 112.266 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.401 ' NE2' ' HB3' ' A' ' 7' ' ' GLN . 40.4 m170 -109.03 -65.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.7 mmt -130.46 31.31 4.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -110.69 42.45 1.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.09 95.3 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -60.75 -73.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 15' ' ' GLY . 23.5 mm -95.25 160.23 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.494 ' N ' HG22 ' A' ' 14' ' ' ILE . . . 156.31 7.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.665 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.632 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 8.4 p-90 -50.13 -48.6 53.58 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 117.464 0.632 . . . . 0.0 110.549 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.632 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 4.2 mt -64.33 -21.31 66.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.862 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -93.0 20.08 7.11 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.657 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -127.85 -51.45 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.395 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.472 ' HA ' ' HB3' ' A' ' 23' ' ' GLN . 3.4 pp -64.47 -25.12 67.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.851 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.7 -45.35 93.47 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.575 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -84.07 -30.84 25.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.703 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.472 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 1.1 tt0 -61.77 -37.43 84.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.0 mt -114.26 -42.01 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.211 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.45 12.25 9.0 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.702 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -75.54 113.21 24.13 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.48 0.181 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.68 -63.27 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.448 2.098 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -153.67 -113.95 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.695 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.57 124.65 27.94 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.871 0.367 . . . . 0.0 110.963 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.86 78.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.92 40.75 22.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -128.73 25.99 4.62 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.579 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.666 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -89.41 167.46 12.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.803 0.335 . . . . 0.0 110.964 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.828 ' C ' HD13 ' A' ' 38' ' ' ILE . . . -151.08 -114.93 0.67 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.592 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.33 -166.37 27.23 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.425 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.46 -46.81 0.84 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.54 2.16 . . . . 0.0 112.397 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.9 m -57.76 -44.51 86.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.828 HD13 ' C ' ' A' ' 34' ' ' GLY . 4.4 mp -68.25 -57.52 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.959 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -48.88 -28.92 4.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -87.25 -26.16 23.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.693 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.481 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -72.66 -18.56 61.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.062 0.458 . . . . 0.0 110.141 179.177 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.649 ' HE1' HG23 ' A' ' 38' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.341 -0.838 . . . . 1.0 110.814 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.829 0.347 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 3' ' ' GLY . 24.9 mm -113.3 158.25 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.469 ' N ' HG22 ' A' ' 2' ' ' ILE . . . -124.91 -69.49 0.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.526 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -121.29 -13.28 8.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.627 0.251 . . . . 0.0 111.392 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.4 ' O ' ' HB3' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -57.34 -162.46 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 120.77 0.319 . . . . 0.0 111.269 -179.642 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 5' ' ' MET . 27.2 tt0 66.27 -73.46 0.07 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -72.46 134.67 82.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.689 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -78.47 120.29 4.79 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.878 2.385 . . . . 0.0 112.71 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -118.99 -75.64 0.58 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.937 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 167.28 42.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.712 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 t70 61.77 93.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.78 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.0 p -119.89 175.24 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.21 75.57 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.793 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.1 tt -66.35 159.28 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.203 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 18' ' ' HIS . . . 147.92 13.4 0.14 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.322 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.631 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 8.9 p-90 -49.82 -45.18 49.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.202 0.525 . . . . 0.0 110.652 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.631 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 1.4 mt -64.71 -21.7 66.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.014 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.8 m80 -93.72 21.89 6.03 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.675 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -130.44 -47.14 1.08 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.24 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.529 ' HA ' ' CG ' ' A' ' 23' ' ' GLN . 3.0 pp -63.12 -29.39 70.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.892 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.458 ' C ' HG22 ' A' ' 24' ' ' ILE . . . -61.38 -30.21 73.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.976 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -91.43 -57.91 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 111.208 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.529 ' CG ' ' HA ' ' A' ' 20' ' ' LEU . 2.1 pt20 -53.98 -31.25 50.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.448 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 25' ' ' GLY . 9.7 tt -54.25 -48.32 67.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.191 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.492 ' N ' HG23 ' A' ' 24' ' ' ILE . . . 60.65 115.15 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.411 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 107.14 0.78 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.596 0.236 . . . . 0.0 111.178 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.49 -53.2 3.04 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.539 2.16 . . . . 0.0 112.212 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -146.78 28.2 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.2 t30 45.93 49.94 11.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.256 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.3 t 56.4 103.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -140.31 -58.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.99 40.19 2.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.546 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.462 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -66.54 166.75 12.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.462 ' H ' HD23 ' A' ' 33' ' ' LEU . . . 105.68 -143.43 15.7 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.4 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.02 54.69 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.56 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.38 -41.38 6.75 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.52 2.146 . . . . 0.0 112.248 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.4 m -55.87 -42.8 76.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.57 HG23 ' CE1' ' A' ' 42' ' ' TYR . 25.3 mt -68.3 -59.19 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.001 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -46.71 -28.92 1.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.267 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -90.49 -24.93 20.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.017 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.526 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.9 OUTLIER -73.92 -17.47 61.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.3 179.369 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.57 ' CE1' HG23 ' A' ' 38' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.161 -0.923 . . . . 1.0 110.829 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.51 ' O ' HD13 ' A' ' 2' ' ' ILE . . . . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.794 0.33 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 1' ' ' ALA . 25.6 mm -131.39 145.54 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.077 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -120.71 -38.84 0.64 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.538 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 70.22 44.0 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.098 0.475 . . . . 0.0 110.603 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.92 103.47 0.07 Allowed 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.413 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 56.47 50.17 13.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.433 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -94.84 171.11 7.03 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.707 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 79.5 Cg_endo -77.92 103.01 1.64 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.563 2.175 . . . . 0.0 112.329 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -111.68 83.43 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.86 57.63 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -146.37 76.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.5 p -99.48 126.76 45.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -111.26 -33.25 6.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.442 HG13 ' N ' ' A' ' 15' ' ' GLY . 8.3 tp -74.09 156.17 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.442 ' N ' HG13 ' A' ' 14' ' ' ILE . . . 124.78 11.98 4.23 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.061 -0.59 . . . . 0.0 113.042 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.513 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 7.2 p-90 -50.52 -43.68 55.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.192 0.52 . . . . 0.0 110.503 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.513 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 2.1 mt -66.12 -21.99 66.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.918 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.9 m80 -93.0 19.91 7.3 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.885 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -127.02 -48.87 1.47 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.055 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 2.7 pp -62.94 -35.42 80.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.566 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.17 -19.11 56.71 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.52 -0.847 . . . . 0.0 112.25 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.74 -40.52 9.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.703 0.287 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 7.7 pt20 -59.31 -34.15 71.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.0 mm -67.26 -65.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.901 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.39 -106.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.568 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -103.94 94.38 6.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.478 0.18 . . . . 0.0 110.876 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 26' ' ' LYS . 19.4 Cg_endo -61.33 -62.67 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.372 2.048 . . . . 0.0 112.375 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.464 ' O ' ' C ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -165.96 27.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.452 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.464 ' C ' ' O ' ' A' ' 28' ' ' TYR . 28.3 t30 20.85 70.03 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t 47.94 86.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.235 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.43 -71.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.15 -33.75 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.565 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.4 OUTLIER -55.29 165.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.367 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.565 ' H ' HD23 ' A' ' 33' ' ' LEU . . . -156.41 128.54 2.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.434 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.42 72.33 0.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.571 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.28 -42.23 66.72 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.615 2.21 . . . . 0.0 112.205 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.42 -47.44 69.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.54 HG23 ' CE1' ' A' ' 42' ' ' TYR . 3.0 mp -65.0 -56.39 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.016 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.83 -29.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.147 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -88.98 -24.59 22.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ILE . 0.9 OUTLIER -70.19 -21.07 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.04 178.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.54 ' CE1' HG23 ' A' ' 38' ' ' ILE . 2.5 m-85 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.217 -0.897 . . . . 1.0 110.819 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.9 0.381 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 3' ' ' GLY . 2.9 mt -109.87 154.87 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.423 ' N ' HG22 ' A' ' 2' ' ' ILE . . . -91.19 -46.37 3.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.49 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 69.86 33.33 2.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.001 0.429 . . . . 0.0 110.533 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.24 122.46 11.12 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.367 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 57.35 55.71 5.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.427 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -95.6 168.6 10.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.65 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 69.4 Cg_endo -74.98 90.17 1.1 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.546 2.164 . . . . 0.0 112.347 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -106.21 75.22 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.69 29.47 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.75 -68.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' A' ' 13' ' ' ARG . 4.2 p 70.11 -60.46 0.48 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.304 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' N ' ' OG ' ' A' ' 12' ' ' SER . 4.0 mtp180 70.45 7.93 6.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.492 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 tt -125.45 169.43 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 111.17 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 18' ' ' HIS . . . 116.19 14.78 7.51 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.875 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.479 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 5.1 p-90 -51.62 -40.84 60.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.2 0.524 . . . . 0.0 110.367 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.479 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 1.3 mt -67.99 -23.23 65.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.832 178.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.9 m80 -92.86 20.46 6.57 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -127.58 -50.05 1.38 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.178 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 2.9 pp -60.6 -28.01 68.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.65 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.68 -22.87 70.29 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.288 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.49 -41.58 9.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.718 0.294 . . . . 0.0 110.974 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 13.6 pt20 -59.9 -34.96 73.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.8 mm -72.53 -65.93 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 173.17 -104.41 0.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.635 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.46 123.2 28.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 120.582 0.23 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.83 -49.62 0.53 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.377 2.052 . . . . 0.0 112.383 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -173.7 33.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.206 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 43.23 50.63 5.78 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.392 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t 55.78 62.78 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 t 62.28 17.48 9.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.288 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.11 -34.25 4.79 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.526 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.5 166.22 21.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.994 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.1 88.52 1.78 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.372 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -101.58 146.88 17.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.66 -36.89 90.98 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.503 2.135 . . . . 0.0 112.33 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.53 -51.36 67.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.616 HG23 ' HE1' ' A' ' 42' ' ' TYR . 2.9 mp -64.76 -58.92 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.06 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -45.64 -28.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.412 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -91.73 -22.8 20.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . 1.3 ttpm? -72.65 -20.72 61.21 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.872 0.368 . . . . 0.0 110.049 179.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.616 ' HE1' HG23 ' A' ' 38' ' ' ILE . 12.1 m-85 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.241 -0.885 . . . . 1.0 110.902 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.718 0.294 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 3' ' ' GLY . 30.5 mm -101.73 158.46 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.476 ' N ' HG22 ' A' ' 2' ' ' ILE . . . -97.02 55.03 1.33 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.582 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -125.0 -39.8 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.764 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.47 101.88 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.456 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -177.04 -39.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.8 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.409 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 12.6 tt0 -86.76 141.27 33.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.8 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 58.4 Cg_endo -68.91 111.57 2.68 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.75 2.3 . . . . 0.0 112.255 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -115.51 -49.45 2.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.09 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.1 mtt -136.02 68.49 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.031 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.02 -80.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 t 53.42 82.81 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.055 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.5 mtm-85 -58.48 -75.5 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.2 mm -83.92 142.0 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.237 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 168.64 6.6 0.03 OUTLIER Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.686 -0.769 . . . . 0.0 113.55 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.651 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 8.6 p-90 -51.03 -47.68 61.63 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 117.39 0.595 . . . . 0.0 110.492 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.651 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 3.7 mt -65.14 -20.11 66.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.84 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -93.01 19.79 7.43 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.73 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.38 -52.55 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.103 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.488 HD13 ' HD2' ' A' ' 26' ' ' LYS . 2.5 pp -61.61 -24.36 66.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.746 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.98 -55.74 19.76 Favored Glycine 0 C--N 1.333 0.415 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.318 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -79.91 -28.53 39.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 0.0 110.476 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 3.8 tp-100 -57.09 -38.58 73.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.963 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.1 mt -112.89 -41.45 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.17 12.17 7.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.998 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HD2' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -92.0 133.61 30.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 110.744 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.07 -49.46 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.437 2.091 . . . . 0.0 112.426 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -169.72 -110.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.825 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.23 70.73 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -106.94 52.23 0.72 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.6 t -179.51 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -117.57 47.04 1.07 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.579 HD12 ' H ' ' A' ' 34' ' ' GLY . 11.6 tp -79.35 154.75 28.82 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 110.425 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.579 ' H ' HD12 ' A' ' 33' ' ' LEU . . . -151.74 -160.41 9.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.624 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.599 ' N ' HD13 ' A' ' 38' ' ' ILE . . . 178.11 -169.72 41.63 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.83 -46.28 24.11 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.638 2.225 . . . . 0.0 112.442 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -54.7 -50.47 68.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.053 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.656 HG23 ' HE1' ' A' ' 42' ' ' TYR . 4.6 mp -61.98 -55.49 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -48.49 -29.66 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -85.84 -25.67 26.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.491 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -71.63 -19.83 62.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.013 178.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.656 ' HE1' HG23 ' A' ' 38' ' ' ILE . 3.7 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.264 -0.874 . . . . 1.0 110.805 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.842 0.353 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.24 141.81 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.63 -96.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.438 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -120.08 -38.04 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.687 0.279 . . . . 0.0 110.906 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.59 132.46 10.83 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.301 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -97.97 -42.94 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.048 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.42 134.98 90.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -86.1 129.78 3.41 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.766 2.31 . . . . 0.0 112.662 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -165.52 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.843 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.7 mmt 54.69 30.05 12.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.131 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.33 29.77 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.22 78.16 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.057 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -106.42 -51.21 2.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.656 HG23 ' N ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER 44.21 -169.93 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.843 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.656 ' N ' HG23 ' A' ' 14' ' ' ILE . . . 106.63 14.91 18.45 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.755 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.458 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 6.6 p-90 -50.96 -43.78 60.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.207 0.527 . . . . 0.0 110.593 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 5.4 mt -65.55 -22.51 66.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.91 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.4 m80 -93.52 21.29 6.38 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.858 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -128.94 -49.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.321 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.02 -28.79 69.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.856 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.28 -36.59 93.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.44 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.81 -40.1 23.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.765 0.316 . . . . 0.0 110.807 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -62.81 -28.82 70.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.689 HG22 ' O ' ' A' ' 24' ' ' ILE . 24.2 mm 42.27 70.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 121.249 0.547 . . . . 0.0 111.143 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.18 -10.52 85.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.836 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.8 121.19 79.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.571 0.185 . . . . 0.0 110.807 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.04 -42.18 66.45 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.429 2.086 . . . . 0.0 112.318 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.59 44.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 49.53 90.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.2 t -116.94 -134.98 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 t 69.33 114.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.71 47.82 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -62.36 166.87 4.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.319 . . . . 0.0 110.9 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.58 ' H ' HD23 ' A' ' 33' ' ' LEU . . . 156.25 -41.92 0.56 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.493 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -131.33 139.87 11.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.433 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.92 -42.37 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.562 2.174 . . . . 0.0 112.343 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.43 -45.22 84.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.767 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.602 HG23 ' HE1' ' A' ' 42' ' ' TYR . 2.5 mp -66.02 -58.62 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.071 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -48.36 -28.87 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.65 -26.93 25.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.637 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.495 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -72.78 -18.3 61.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.027 0.441 . . . . 0.0 110.145 179.028 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.602 ' HE1' HG23 ' A' ' 38' ' ' ILE . 1.7 m-85 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.107 -0.949 . . . . 1.0 110.829 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.785 0.326 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.593 ' O ' HG22 ' A' ' 2' ' ' ILE . 21.1 mm -116.17 20.98 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.371 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.93 -34.91 2.55 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -156.58 -41.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.804 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.59 95.23 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.602 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.07 -23.57 38.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.991 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.443 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -71.79 159.88 84.21 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.536 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 18.7 Cg_endo -58.44 -156.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.744 2.296 . . . . 0.0 112.14 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 8' ' ' PRO . 14.2 p80 49.81 32.89 5.74 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.853 0.358 . . . . 0.0 111.442 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.0 mmt -141.77 38.92 1.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.97 -77.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.984 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 t 61.12 47.09 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.15 45.46 11.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.814 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.7 tt -77.38 159.7 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.276 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 18' ' ' HIS . . . 128.71 13.15 2.56 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.974 -0.631 . . . . 0.0 113.159 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.442 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 6.1 p-90 -50.9 -38.93 52.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.134 0.492 . . . . 0.0 110.53 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.442 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 4.2 mt -71.05 -21.88 62.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.017 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.2 m80 -93.48 21.51 6.15 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -131.91 -48.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.215 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.497 ' HA ' ' HB3' ' A' ' 23' ' ' GLN . 3.6 pp -65.63 -18.48 65.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.941 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.44 -53.41 43.48 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.575 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -86.08 -32.49 21.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.834 0.349 . . . . 0.0 110.674 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.497 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 2.7 tp-100 -58.1 -37.96 75.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.783 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.712 HG22 ' O ' ' A' ' 24' ' ' ILE . 5.7 mt 40.57 68.66 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-O 121.282 0.563 . . . . 0.0 111.252 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.22 -8.99 70.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.853 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' CG ' ' HD2' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -86.11 148.23 47.18 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-O 120.595 0.236 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.407 ' HD2' ' CG ' ' A' ' 26' ' ' LYS . 39.2 Cg_exo -60.74 -14.51 32.15 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.679 2.253 . . . . 0.0 112.585 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -156.81 98.27 1.77 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.185 0.517 . . . . 0.0 110.492 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -57.24 79.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.415 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER 52.98 104.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.416 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.16 131.97 46.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.834 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.26 66.23 0.32 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.592 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.576 HD12 ' H ' ' A' ' 34' ' ' GLY . 9.4 tp -72.85 156.79 38.52 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 110.341 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.576 ' H ' HD12 ' A' ' 33' ' ' LEU . . . -47.28 116.43 2.62 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.835 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.681 ' HA3' HD12 ' A' ' 38' ' ' ILE . . . -170.16 106.21 0.24 Allowed Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.381 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.96 -37.77 37.64 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.55 2.166 . . . . 0.0 112.453 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -59.06 -42.25 89.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.825 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.681 HD12 ' HA3' ' A' ' 35' ' ' GLY . 3.3 mt -70.07 -60.67 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.224 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.39 -29.2 2.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.211 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.81 -25.61 22.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.92 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.454 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.6 OUTLIER -73.98 -16.94 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.315 179.179 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.659 ' HE1' HG23 ' A' ' 38' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.281 -0.866 . . . . 1.0 110.805 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 2' ' ' ILE . 3.8 mp -92.37 155.58 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.436 ' N ' HG22 ' A' ' 2' ' ' ILE . . . -79.3 -76.94 0.94 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.78 20.68 10.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.672 0.272 . . . . 0.0 111.063 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.91 103.34 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.456 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -133.95 21.86 3.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.058 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.459 ' N ' ' HD3' ' A' ' 8' ' ' PRO . 3.9 tt0 36.94 56.6 3.55 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.699 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 7' ' ' GLN . 67.0 Cg_endo -89.21 30.2 0.41 Allowed 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.825 2.35 . . . . 0.0 112.658 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.11 101.78 3.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 111.031 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.5 mtt -123.18 34.26 5.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 72.23 -58.88 0.58 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.977 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t -154.52 125.42 7.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -52.23 19.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.7 tt -78.26 160.13 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.7 15.37 0.48 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.32 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.466 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 3.9 p-90 -51.68 -37.7 51.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.092 0.472 . . . . 0.0 110.439 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 3.6 mt -72.39 -22.32 61.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.001 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -93.72 20.95 6.91 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -131.43 -46.8 0.98 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.303 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.456 ' O ' HG22 ' A' ' 24' ' ' ILE . 3.5 pp -66.73 -25.88 66.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.861 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.65 -28.09 73.28 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.564 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -93.4 -33.55 13.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.15 -36.52 82.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 20' ' ' LEU . 17.2 tt -72.7 -39.98 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.235 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.402 ' N ' HG23 ' A' ' 24' ' ' ILE . . . 68.56 121.74 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 pttm -108.5 143.23 27.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.603 0.239 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.46 -58.83 1.07 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.404 2.069 . . . . 0.0 112.272 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.2 OUTLIER 177.59 108.76 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.698 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -57.99 79.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.019 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER 46.36 30.43 1.04 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.374 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.72 131.4 43.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.89 -24.18 70.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.537 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.617 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -58.44 166.36 1.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.337 . . . . 0.0 110.969 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.617 ' H ' HD23 ' A' ' 33' ' ' LEU . . . 128.92 -113.83 1.64 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.43 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.31 152.64 24.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.15 -38.62 8.85 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.459 2.106 . . . . 0.0 112.299 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -46.14 84.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.606 HG23 ' HE1' ' A' ' 42' ' ' TYR . 3.1 mp -68.89 -59.09 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.17 -29.48 3.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.78 -26.32 24.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.675 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -72.21 -18.48 61.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.11 179.115 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.606 ' HE1' HG23 ' A' ' 38' ' ' ILE . 1.7 m-85 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.099 -0.953 . . . . 1.0 110.813 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.892 0.377 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 3' ' ' GLY . 3.1 mp -91.35 159.69 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.482 ' N ' HG22 ' A' ' 2' ' ' ILE . . . -56.23 -26.83 51.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.646 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 68.0 86.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.679 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -162.25 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.173 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.45 82.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.828 0.347 . . . . 0.0 110.998 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.447 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -109.46 161.11 25.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.619 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 36.8 Cg_endo -65.48 95.46 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.423 2.082 . . . . 0.0 112.215 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -110.51 77.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 mtt 58.87 25.48 13.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 t70 55.26 79.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.6 p -71.34 -176.19 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.742 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 70.34 94.21 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.8 tt -79.66 159.91 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.171 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' HIS . . . 129.59 13.35 2.31 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.156 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.51 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 6.6 p-90 -50.77 -38.93 50.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.162 0.506 . . . . 0.0 110.566 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.51 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 1.4 mt -71.26 -21.71 62.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.078 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.5 m80 -93.29 20.46 7.02 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.097 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -131.89 -45.71 0.95 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.185 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.573 ' HA ' ' CG ' ' A' ' 23' ' ' GLN . 3.2 pp -67.38 -25.44 65.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.928 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.98 -19.9 68.24 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.988 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.88 -44.29 5.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.742 0.306 . . . . 0.0 111.118 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.573 ' CG ' ' HA ' ' A' ' 20' ' ' LEU . 1.8 pt20 -68.72 -25.2 64.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.31 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 tt -52.44 -27.43 10.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.303 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.38 124.4 0.16 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.55 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.97 154.08 77.68 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.754 0.311 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 28' ' ' TYR . 67.4 Cg_endo -73.34 61.94 4.26 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.665 2.243 . . . . 0.0 112.146 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -26.76 -86.8 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.136 179.616 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -131.03 68.61 1.48 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -101.11 31.43 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.77 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.67 -169.33 1.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.4 -63.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.574 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.523 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -64.56 166.17 8.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.823 0.344 . . . . 0.0 110.997 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.523 ' H ' HD23 ' A' ' 33' ' ' LEU . . . 125.94 161.01 10.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.8 91.18 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.503 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.31 -44.85 0.99 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.601 2.2 . . . . 0.0 112.458 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -54.34 -44.32 72.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.642 HG23 ' HE1' ' A' ' 42' ' ' TYR . 4.1 mp -68.92 -59.25 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.188 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.83 -29.22 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.46 -25.78 22.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.795 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.48 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -71.89 -19.21 61.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.097 179.281 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.642 ' HE1' HG23 ' A' ' 38' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.778 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.829 0.347 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mt -94.05 141.6 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.15 52.44 3.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.518 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.54 -68.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -46.98 121.58 3.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -137.13 28.88 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.406 ' HG3' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -94.27 163.72 22.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.862 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HD2' ' HG3' ' A' ' 7' ' ' GLN . 71.6 Cg_endo -77.49 67.23 7.86 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.652 2.235 . . . . 0.0 112.372 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -85.99 73.39 10.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.1 mtt -87.99 -100.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -131.92 54.21 1.95 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.0 t -59.93 111.15 1.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -101.27 -8.44 22.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.442 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.659 HG23 ' N ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER 44.67 -170.22 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 120.794 0.331 . . . . 0.0 111.748 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.659 ' N ' HG23 ' A' ' 14' ' ' ILE . . . 120.88 14.09 5.28 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.971 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.544 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 7.2 p-90 -50.46 -44.36 55.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.111 0.481 . . . . 0.0 110.506 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.544 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 1.6 mt -65.56 -21.3 66.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.012 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' GLY . 8.4 m80 -93.94 19.67 8.73 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.869 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -126.84 -52.56 1.44 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.045 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.863 HD12 ' N ' ' A' ' 21' ' ' GLY . 3.0 pp -59.25 -28.59 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.749 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.863 ' N ' HD12 ' A' ' 20' ' ' LEU . . . -64.59 -36.35 93.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.283 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.16 -37.2 46.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 0.0 110.765 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -58.62 -45.65 88.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.4 mm -74.38 -60.98 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.081 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.4 92.11 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.431 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.67 87.88 55.12 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 120.707 0.289 . . . . 0.0 110.796 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.27 -64.78 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.548 2.165 . . . . 0.0 112.31 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 171.62 70.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.911 0.386 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.8 t30 51.08 90.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.8 p -92.79 52.35 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 m -68.88 152.03 45.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.16 -35.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.565 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.65 166.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.351 . . . . 0.0 110.952 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -121.98 74.73 0.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.595 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.04 141.51 12.21 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.38 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.11 -44.68 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.45 2.1 . . . . 0.0 112.401 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 m -56.23 -44.62 79.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.801 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.627 HG23 ' HE1' ' A' ' 42' ' ' TYR . 3.7 mp -68.75 -59.15 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.017 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -28.38 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.47 -24.09 20.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.917 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.485 ' HD2' ' CZ ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -72.01 -20.13 61.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.158 179.254 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.627 ' HE1' HG23 ' A' ' 38' ' ' ILE . 6.7 m-85 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.812 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.592 ' O ' HG22 ' A' ' 2' ' ' ILE . 3.4 mp -99.47 21.42 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.336 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.49 -85.64 1.27 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.332 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -166.51 -41.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.738 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.81 135.19 24.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.388 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -97.87 26.43 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.412 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -130.98 150.13 75.73 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.701 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 68.0 Cg_endo -73.73 102.84 1.55 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.521 2.147 . . . . 0.0 112.365 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.401 ' NE2' ' HB3' ' A' ' 7' ' ' GLN . 53.4 m170 -115.59 -95.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.77 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.1 mtt 43.34 54.02 5.32 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.779 0.323 . . . . 0.0 111.632 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.38 -84.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.99 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 173.52 81.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.706 0.289 . . . . 0.0 110.819 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.78 -58.39 1.94 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.674 HG23 ' N ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER 43.71 -168.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.682 179.911 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.674 ' N ' HG23 ' A' ' 14' ' ' ILE . . . 97.6 13.78 43.08 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.756 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.453 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 6.2 p-90 -51.43 -42.05 61.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.157 0.503 . . . . 0.0 110.452 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.453 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 1.5 mt -66.9 -22.01 65.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.766 178.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.6 m80 -93.77 21.23 6.69 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.7 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -128.91 -50.1 1.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.4 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.13 -28.85 68.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.817 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.77 -46.92 93.55 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.41 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.25 -38.04 66.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.749 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -63.82 -25.23 68.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.024 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.713 HG22 ' O ' ' A' ' 24' ' ' ILE . 21.4 mm 44.41 72.54 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 121.27 0.557 . . . . 0.0 111.045 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.86 -10.73 72.91 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.793 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.47 131.07 37.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.519 0.2 . . . . 0.0 110.745 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 63.6 Cg_endo -74.11 -38.73 1.99 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.388 2.059 . . . . 0.0 112.416 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.44 ' CD1' ' HG2' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -147.48 33.07 0.87 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.01 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 48.2 79.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.102 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.6 p -97.47 -132.04 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.628 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 77.08 104.46 0.07 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.868 0.365 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.62 40.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.286 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.53 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -67.4 170.12 7.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.981 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.53 ' H ' HD23 ' A' ' 33' ' ' LEU . . . 118.12 59.7 0.28 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.538 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.53 98.79 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -51.26 -34.48 49.42 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.536 2.158 . . . . 0.0 112.304 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.83 -46.81 86.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.643 HG23 ' HE1' ' A' ' 42' ' ' TYR . 3.5 mp -67.11 -59.14 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.067 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -47.81 -29.21 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.19 -26.21 23.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.755 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.5 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -73.5 -17.71 61.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.206 179.17 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.643 ' HE1' HG23 ' A' ' 38' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.183 -0.913 . . . . 1.0 110.828 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.826 0.345 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 3' ' ' GLY . 2.9 mp -118.94 158.78 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.482 ' N ' HG22 ' A' ' 2' ' ' ILE . . . 140.43 41.97 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.592 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 179.22 -63.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.835 0.35 . . . . 0.0 110.798 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -46.64 133.49 10.33 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -172.29 -41.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.404 ' HG3' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -81.92 156.99 69.59 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.404 ' HD2' ' HG3' ' A' ' 7' ' ' GLN . 72.0 Cg_endo -76.48 96.05 1.07 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.627 2.218 . . . . 0.0 112.314 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -100.41 -53.41 3.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 59.09 71.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -113.4 30.01 7.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 p -120.65 29.24 7.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -105.72 55.62 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.999 0.428 . . . . 0.0 110.758 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.472 HG22 ' CD1' ' A' ' 16' ' ' TRP . 4.5 mt -81.62 135.99 23.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.16 12.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.728 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.69 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 9.8 p-90 -51.86 -46.02 64.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.251 0.548 . . . . 0.0 110.317 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.69 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 2.0 mt -65.46 -20.47 66.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.77 178.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -93.61 18.74 9.54 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.678 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -126.27 -46.84 1.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.197 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.72 -29.55 66.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.808 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.09 -32.96 83.97 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.429 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -82.22 -31.82 30.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.809 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -63.7 -46.49 85.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.731 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.3 mt -90.16 -67.72 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.092 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.31 10.54 33.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.872 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -57.77 138.29 82.67 Favored Pre-proline 0 N--CA 1.451 -0.39 0 CA-C-N 116.608 0.204 . . . . 0.0 110.915 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 28' ' ' TYR . 14.3 Cg_exo -68.99 59.28 1.24 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.669 2.246 . . . . 0.0 112.561 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER 23.06 72.9 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.054 0.541 . . . . 0.0 112.413 179.68 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 60.98 -81.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -162.1 113.75 1.66 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 110.995 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.437 ' CB ' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -153.78 -45.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -131.11 54.86 0.78 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.308 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.3 15.09 14.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.033 0.445 . . . . 0.0 111.441 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.684 ' HA3' HD12 ' A' ' 38' ' ' ILE . . . -46.73 135.91 10.11 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.698 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.53 -108.07 1.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.79 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.97 -25.56 38.29 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.529 2.153 . . . . 0.0 112.532 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 t -57.34 -64.12 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.904 0.383 . . . . 0.0 110.721 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.684 HD12 ' HA3' ' A' ' 34' ' ' GLY . 52.8 mt -66.42 -50.31 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.849 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -49.61 -27.27 4.36 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.371 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.69 -21.43 17.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.057 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.542 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -72.42 -20.17 61.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.937 0.398 . . . . 0.0 110.184 179.327 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.681 ' CE1' HG23 ' A' ' 38' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.758 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.852 0.358 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -93.7 142.97 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.784 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.439 ' N ' HG13 ' A' ' 2' ' ' ILE . . . -68.87 74.48 0.34 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.565 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -155.94 27.1 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.67 132.37 17.63 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.437 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.437 ' HA ' ' CE1' ' A' ' 9' ' ' HIS . 3.6 tt0 -146.32 67.68 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.974 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.438 ' CB ' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -99.52 -59.12 0.12 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.562 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HD3' ' CB ' ' A' ' 7' ' ' GLN . 86.4 Cg_endo -84.49 41.31 0.97 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.517 2.145 . . . . 0.0 113.172 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.437 ' CE1' ' HA ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -174.76 77.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 110.65 179.411 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.51 15.04 24.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.323 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -178.35 37.44 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.77 0.319 . . . . 0.0 110.809 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.4 -52.01 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 57.91 61.38 2.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.702 HD13 ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -58.35 152.07 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.179 -179.814 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.702 ' N ' HD13 ' A' ' 14' ' ' ILE . . . 114.22 8.29 17.44 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.831 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 7.9 p-90 -51.94 -42.79 63.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.213 0.53 . . . . 0.0 110.294 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.508 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 2.8 mt -68.08 -21.23 64.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.783 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -93.07 20.93 6.26 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.576 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -129.78 -49.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.264 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.888 ' O ' HG22 ' A' ' 24' ' ' ILE . 3.8 pp -67.15 -27.09 67.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.742 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.2 -24.48 73.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.307 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.64 -40.68 11.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -60.24 -38.29 82.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.888 HG22 ' O ' ' A' ' 20' ' ' LEU . 7.5 tt -97.21 40.44 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.48 10.8 72.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.761 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -51.8 106.49 0.66 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.516 0.198 . . . . 0.0 111.245 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -82.22 -5.09 11.95 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.459 2.106 . . . . 0.0 112.757 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.501 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -156.29 94.85 1.54 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.027 0.441 . . . . 0.0 111.105 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t30 60.29 -81.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.064 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' TYR . 9.1 t -164.94 -132.16 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.388 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.2 m -81.18 115.84 20.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.765 0.316 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.12 -54.06 0.63 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.58 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -168.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.487 ' HA3' HD11 ' A' ' 38' ' ' ILE . . . 73.5 174.09 27.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.383 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -170.3 -64.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.747 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.42 -47.51 1.01 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.538 2.158 . . . . 0.0 112.647 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -55.72 -42.29 75.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.742 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.661 HG23 ' HE1' ' A' ' 42' ' ' TYR . 4.3 mp -71.33 -59.66 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.98 -30.01 3.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.196 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -88.82 -25.36 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 2.6 tppm? -73.43 -17.19 61.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.391 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.661 ' HE1' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.86 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.901 0.381 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.594 ' O ' HG22 ' A' ' 2' ' ' ILE . 3.5 mp -112.43 21.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.08 62.33 6.33 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.544 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.03 67.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -44.77 102.99 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.586 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -157.27 37.12 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.972 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.35 165.42 12.68 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.07 85.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.647 2.231 . . . . 0.0 112.343 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -113.1 60.55 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.1 mtm 59.14 61.26 2.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.67 52.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.96 -173.98 2.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 62.98 63.32 0.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.011 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.6 mm -110.26 -25.7 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.315 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.419 ' HA2' ' ND1' ' A' ' 18' ' ' HIS . . . -82.61 6.51 69.04 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.483 -0.865 . . . . 0.0 113.008 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.674 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 7.3 p-90 -51.28 -46.76 62.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 117.157 0.478 . . . . 0.0 110.354 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.674 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 1.4 mp -64.92 -22.06 66.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.579 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.419 ' ND1' ' HA2' ' A' ' 15' ' ' GLY . 9.3 m80 -91.47 17.91 7.98 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.847 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -126.0 -44.81 1.75 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.424 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -32.9 74.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.591 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.78 -29.97 68.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.651 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -97.72 -30.35 12.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 111.093 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -67.61 -30.9 70.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.9 mt -99.36 -51.32 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.25 114.17 3.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.545 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.17 119.62 38.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.514 0.197 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.22 -63.39 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.391 2.061 . . . . 0.0 112.262 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -170.59 31.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.007 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 t30 54.1 -86.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' TYR . 1.4 p -152.68 44.45 0.68 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.53 157.18 31.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.63 -32.07 31.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.583 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.527 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -69.32 171.26 8.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.319 . . . . 0.0 110.873 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.527 ' H ' HD23 ' A' ' 33' ' ' LEU . . . -127.1 -115.2 1.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.57 -70.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.19 -34.2 28.71 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.689 2.259 . . . . 0.0 112.311 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.17 -58.8 6.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.192 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.89 -49.6 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.194 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.576 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -48.9 -29.3 4.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.963 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.32 -21.75 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.081 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.496 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -73.11 -19.37 61.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.948 0.404 . . . . 0.0 110.245 179.334 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.496 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.23 -0.891 . . . . 1.0 110.781 179.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.912 0.387 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 3' ' ' GLY . 1.3 mp -80.8 160.58 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.461 ' N ' HG22 ' A' ' 2' ' ' ILE . . . -83.62 4.34 82.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.06 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -119.93 -28.34 5.2 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 122.726 -0.279 . . . . 0.0 111.14 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.68 109.31 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.672 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 56.84 38.22 29.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.505 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 2.5 tp-100 -83.34 -49.19 0.73 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.505 ' HD3' ' HB3' ' A' ' 7' ' ' GLN . 88.8 Cg_endo -82.37 -150.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.409 2.073 . . . . 0.0 111.882 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.478 ' CE1' ' HG2' ' A' ' 8' ' ' PRO . 1.2 m80 71.41 73.89 0.18 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.979 0.419 . . . . 0.0 110.843 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.1 mmt -137.93 48.3 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.77 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.4 t0 61.41 34.17 18.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 m 61.13 62.83 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.648 ' O ' HG22 ' A' ' 14' ' ' ILE . 0.1 OUTLIER 59.7 68.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 13' ' ' ARG . 2.1 tt 48.93 173.2 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.991 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' HIS . . . 121.57 15.98 4.32 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.895 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.471 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 5.2 p-90 -49.97 -39.95 42.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.136 0.493 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 3.8 mt -72.17 -22.16 61.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.203 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' GLY . 6.0 m80 -93.86 20.4 7.73 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -130.78 -46.27 1.05 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.344 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.13 -24.45 66.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.828 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -63.71 -35.04 91.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.559 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.56 -30.93 13.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.765 0.317 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -70.21 -28.39 65.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 25' ' ' GLY . 11.7 tt -61.13 -45.69 98.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.086 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.497 ' N ' HG23 ' A' ' 24' ' ' ILE . . . 81.41 127.07 0.84 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.538 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.57 112.33 59.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.441 0.162 . . . . 0.0 110.596 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.11 -23.58 39.61 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.546 2.164 . . . . 0.0 112.655 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.404 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.2 OUTLIER -158.95 40.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.333 . . . . 0.0 111.07 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.9 t30 59.08 -82.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.953 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 28' ' ' TYR . 1.3 t -178.05 46.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.842 0.353 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.5 t 61.78 79.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.07 52.14 0.46 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.533 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 111.89 1.72 Allowed 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 120.75 0.31 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.0 -41.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.488 ' HA3' HD12 ' A' ' 38' ' ' ILE . . . 59.82 83.81 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.488 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.55 -37.23 17.42 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.574 2.183 . . . . 0.0 112.354 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -40.67 85.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.634 HG23 ' HE1' ' A' ' 42' ' ' TYR . 3.4 mt -71.56 -62.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -47.54 -29.27 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.284 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.1 -26.28 22.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.861 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.464 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 2.0 tppm? -75.49 -15.08 60.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.37 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.634 ' HE1' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.238 -0.887 . . . . 1.0 110.758 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.802 0.334 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 3' ' ' GLY . 16.0 mt -87.23 159.29 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.996 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.491 ' N ' HG22 ' A' ' 2' ' ' ILE . . . 177.99 -33.0 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.649 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -103.02 36.96 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.918 0.39 . . . . 0.0 110.631 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -49.53 163.65 0.11 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.436 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -69.66 65.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.444 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -96.8 168.67 9.97 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.579 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 52.2 Cg_endo -69.42 64.29 1.6 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.367 2.045 . . . . 0.0 112.316 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -93.04 -54.2 3.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.9 mmt -124.8 32.58 5.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.61 -74.68 0.6 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.63 165.9 1.35 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.28 -48.71 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.747 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.666 HG23 ' N ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER 43.92 -168.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.752 179.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.666 ' N ' HG23 ' A' ' 14' ' ' ILE . . . 79.71 12.54 83.47 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.907 -0.663 . . . . 0.0 112.691 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 4.8 p-90 -52.33 -40.48 61.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.118 0.485 . . . . 0.0 110.316 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.485 ' HA ' HD21 ' A' ' 20' ' ' LEU . 2.2 mt -67.94 -21.99 65.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.611 0.72 . . . . 0.0 109.887 178.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -93.73 20.83 7.06 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.818 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -128.98 -47.38 1.23 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.141 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.485 HD21 ' HA ' ' A' ' 17' ' ' LEU . 2.7 pp -59.54 -26.23 65.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.745 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -58.12 -43.5 95.22 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.512 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -82.65 -32.15 28.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.749 0.309 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.408 ' HB2' ' HA ' ' A' ' 20' ' ' LEU . 1.3 mp0 -58.81 -42.56 89.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.7 mt -98.16 -67.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 141.27 126.38 2.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.569 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -129.28 71.85 82.01 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 120.754 0.312 . . . . 0.0 110.809 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.5 -34.92 41.04 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.538 2.159 . . . . 0.0 112.485 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' A' ' 30' ' ' SER . 0.2 OUTLIER -159.5 40.12 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 111.063 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.4 t30 49.62 92.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.058 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.421 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -140.79 54.58 1.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.784 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 m 62.41 165.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -142.23 54.25 0.61 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.604 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -79.28 167.18 21.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 110.941 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.604 ' H ' HD23 ' A' ' 33' ' ' LEU . . . -108.97 81.35 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.681 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 175.35 63.05 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.556 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.49 -43.45 45.65 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.571 2.18 . . . . 0.0 112.331 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -56.35 -44.33 79.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.656 HG23 ' HE1' ' A' ' 42' ' ' TYR . 4.1 mp -66.19 -59.3 4.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.118 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.69 -28.99 2.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -87.25 -26.16 23.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.851 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.501 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -74.17 -17.32 60.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.21 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.656 ' HE1' HG23 ' A' ' 38' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.262 -0.875 . . . . 1.0 110.772 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.861 0.362 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.4 mt -91.12 148.86 4.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.21 37.12 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -161.23 32.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.24 173.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.367 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -69.75 66.2 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.444 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -96.32 169.74 8.52 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.662 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 59.9 Cg_endo -72.91 81.28 1.67 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.353 2.036 . . . . 0.0 112.292 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -106.66 79.17 1.32 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.862 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 59.96 31.61 20.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -112.96 -66.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.808 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.3 t -178.76 158.84 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -129.62 -52.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.672 HG23 ' N ' ' A' ' 15' ' ' GLY . 0.1 OUTLIER 43.83 -168.07 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.72 179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.672 ' N ' HG23 ' A' ' 14' ' ' ILE . . . 94.09 16.02 45.99 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.723 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 4.4 p-90 -51.27 -38.66 53.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.159 0.504 . . . . 0.0 110.517 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.475 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 4.1 mt -72.61 -21.96 61.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.004 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' GLY . 5.9 m80 -94.24 20.67 7.81 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.979 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -130.46 -50.32 1.08 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.224 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -63.98 -24.09 67.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.78 179.564 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.39 -54.53 31.77 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.26 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.41 -25.06 29.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.589 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -56.69 -35.96 69.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.957 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 28.3 mm -91.38 -57.15 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 113.81 16.61 7.89 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.796 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -48.59 125.2 12.5 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 120.559 0.219 . . . . 0.0 111.374 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 26' ' ' LYS . 32.1 Cg_exo -58.09 -63.36 0.15 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.393 2.062 . . . . 0.0 112.382 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.425 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 3.6 p90 -134.81 49.85 2.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.868 0.366 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.1 t30 52.32 68.78 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.006 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.51 78.05 1.23 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m 60.91 102.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.52 29.81 9.75 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.593 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.471 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -67.81 171.14 6.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.785 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.471 ' H ' HD23 ' A' ' 33' ' ' LEU . . . -110.09 109.88 2.77 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.624 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.78 70.25 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.534 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.71 -47.9 1.76 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.69 2.26 . . . . 0.0 112.25 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -41.93 68.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.94 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.595 HG23 ' HE1' ' A' ' 42' ' ' TYR . 2.0 mp -68.89 -60.97 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.052 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -28.56 2.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -86.57 -27.07 24.14 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -75.35 -15.6 60.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.321 179.224 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.595 ' HE1' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.871 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.839 0.352 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 mp -92.07 139.89 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.28 87.46 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.507 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -99.09 14.47 29.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.626 0.25 . . . . 0.0 111.205 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.96 92.6 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.215 0 CA-C-O 120.833 0.349 . . . . 0.0 111.453 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.407 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 3.0 tt0 -82.98 -156.39 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.421 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -121.36 52.38 3.09 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-O 120.614 0.245 . . . . 0.0 111.342 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD2' ' CE1' ' A' ' 9' ' ' HIS . 90.6 Cg_endo -78.53 55.37 5.43 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.503 2.135 . . . . 0.0 112.253 179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.409 ' CE1' ' HD2' ' A' ' 8' ' ' PRO . 5.8 m80 -146.42 82.3 1.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.957 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.7 mtp -94.89 44.45 1.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -107.43 30.19 6.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 13' ' ' ARG . 20.9 m -148.48 170.17 18.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HB2' ' O ' ' A' ' 12' ' ' SER . 19.7 mmm180 81.34 -47.45 0.24 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.256 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.429 HG13 ' N ' ' A' ' 15' ' ' GLY . 8.3 tp -57.38 156.66 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.903 0.382 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.429 ' N ' HG13 ' A' ' 14' ' ' ILE . . . 118.19 15.59 6.02 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.927 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.471 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 3.6 p-90 -51.51 -38.26 53.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.047 0.451 . . . . 0.0 110.424 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 1.8 mt -71.98 -22.08 61.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.023 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' GLY . 6.9 m80 -93.88 20.83 7.23 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 114.882 -1.054 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -130.34 -47.5 1.09 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.051 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.406 HD21 ' HA ' ' A' ' 17' ' ' LEU . 3.4 pp -60.84 -28.22 68.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.583 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.84 -31.94 73.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -79.62 -40.06 30.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.328 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -61.0 -43.34 99.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.8 mt -77.11 -66.98 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.45 128.5 6.28 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -92.74 110.35 44.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.49 0.186 . . . . 0.0 110.761 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.89 -45.91 2.81 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.434 2.09 . . . . 0.0 112.339 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.428 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -149.49 -114.16 0.06 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.89 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.47 -48.43 7.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.75 0.31 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t 60.7 109.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m 61.11 75.54 0.41 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.31 -71.47 0.73 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.66 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -83.16 167.53 17.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.861 0.363 . . . . 0.0 110.949 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.66 ' H ' HD23 ' A' ' 33' ' ' LEU . . . -71.78 -43.39 51.07 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.456 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.34 86.68 0.29 Allowed Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.27 -41.4 66.91 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.675 2.25 . . . . 0.0 112.458 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -55.15 -47.53 74.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.982 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.669 HG23 ' HE1' ' A' ' 42' ' ' TYR . 4.2 mp -68.3 -58.73 5.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.068 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -47.85 -29.06 2.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -88.86 -25.35 22.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.857 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.502 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.7 OUTLIER -73.04 -18.19 61.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.182 179.144 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.669 ' HE1' HG23 ' A' ' 38' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.847 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.838 0.351 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.456 HG21 ' HB3' ' A' ' 5' ' ' MET . 3.7 mp -108.53 157.07 8.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.009 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.453 ' N ' HG22 ' A' ' 2' ' ' ILE . . . -62.22 -70.62 0.99 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -125.69 -35.78 2.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 0.0 111.022 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.456 ' HB3' HG21 ' A' ' 2' ' ' ILE . 0.0 OUTLIER -45.23 102.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.539 -179.737 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -158.66 -46.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.746 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.41 154.87 66.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.837 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -77.94 130.07 10.19 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.589 2.193 . . . . 0.0 112.375 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 10' ' ' MET . 2.1 p80 176.93 120.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.682 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 9' ' ' HIS . 0.0 OUTLIER 32.34 61.7 0.33 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.958 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -99.32 -35.2 10.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.2 p 56.67 59.54 3.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -155.85 -60.02 0.1 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.469 HG22 ' CD1' ' A' ' 16' ' ' TRP . 5.2 mm -94.43 133.85 33.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.323 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -160.06 12.64 0.17 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.224 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.621 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 10.8 p-90 -52.54 -44.03 65.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.2 0.524 . . . . 0.0 110.425 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.621 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 1.9 mt -66.28 -19.68 65.89 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.925 178.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -93.45 21.44 6.18 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.658 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -131.1 -50.94 1.02 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.114 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 pp -74.41 -26.16 59.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.896 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.72 -28.17 71.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.549 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -96.34 -41.59 8.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.77 0.319 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -62.2 -30.81 71.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.7 tt -66.19 -20.81 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.179 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.59 -11.63 85.28 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.785 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -152.58 62.14 4.27 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 111.008 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -48.82 -62.67 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.714 2.276 . . . . 0.0 112.408 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.438 ' CE2' ' HA ' ' A' ' 31' ' ' SER . 1.7 p90 -174.35 82.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.76 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.5 t30 56.9 37.89 29.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.803 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 t 51.68 38.17 22.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.181 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.438 ' HA ' ' CE2' ' A' ' 28' ' ' TYR . 1.3 m 60.62 168.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -139.4 53.79 0.68 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.507 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.569 HD12 ' H ' ' A' ' 34' ' ' GLY . 15.0 tp -101.46 153.5 19.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.814 0.34 . . . . 0.0 110.487 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.569 ' H ' HD12 ' A' ' 33' ' ' LEU . . . -121.52 -139.62 5.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.551 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.427 ' N ' HD13 ' A' ' 38' ' ' ILE . . . -155.95 176.74 33.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.499 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.26 -42.99 50.79 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.621 2.214 . . . . 0.0 112.404 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -55.36 -47.5 75.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.958 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.669 HG23 ' HE1' ' A' ' 42' ' ' TYR . 4.1 mp -67.17 -58.3 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.011 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.51 -28.8 3.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.062 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -87.14 -26.17 23.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.705 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.498 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -73.63 -17.61 61.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.169 179.124 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.669 ' HE1' HG23 ' A' ' 38' ' ' ILE . 1.1 m-85 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.21 -0.9 . . . . 1.0 110.748 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.809 0.338 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.4 mt -116.86 151.66 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.17 18.29 22.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.749 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -154.97 22.98 0.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.74 0.305 . . . . 0.0 111.039 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -48.77 174.74 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.241 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 5' ' ' MET . 2.4 tt0 -54.06 87.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.201 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.467 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.7 OUTLIER -122.17 178.27 1.31 Allowed Pre-proline 0 N--CA 1.454 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 -179.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 95.8 Cg_endo -81.65 67.96 8.19 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.43 2.087 . . . . 0.0 112.366 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -103.74 -62.49 1.3 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 14.6 mtp 61.78 39.07 14.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -114.03 31.42 6.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.1 t -176.93 162.59 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -163.83 46.22 0.12 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.813 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 16.3 tt -63.25 159.38 3.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.05 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.415 ' O ' ' N ' ' A' ' 18' ' ' HIS . . . 131.32 13.7 1.87 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.953 -0.642 . . . . 0.0 113.089 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.567 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 8.4 p-90 -49.96 -44.85 50.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.16 0.505 . . . . 0.0 110.698 179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.567 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 2.1 mt -65.22 -21.17 66.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.938 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.4 m80 -94.46 20.82 7.85 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 114.937 -1.029 . . . . 0.0 110.822 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -128.03 -49.46 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.094 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 pp -61.86 -31.84 72.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.619 179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.402 ' HA2' HD12 ' A' ' 24' ' ' ILE . . . -60.28 -34.13 83.36 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.437 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.78 -34.21 24.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.711 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -59.35 -37.97 79.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.402 HD12 ' HA2' ' A' ' 21' ' ' GLY . 8.4 mt -65.33 -62.34 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.38 4.58 8.23 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.891 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.7 ttpp -110.26 96.83 28.06 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.843 0.321 . . . . 0.0 110.743 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -51.59 -64.7 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.467 2.111 . . . . 0.0 112.399 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 176.08 38.45 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 51.08 99.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.058 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -107.36 -134.99 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.468 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -156.06 -56.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.742 0.306 . . . . 0.0 110.829 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -96.05 31.04 7.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.552 HD12 ' H ' ' A' ' 34' ' ' GLY . 14.8 tp -101.29 153.84 19.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.865 0.364 . . . . 0.0 110.442 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.552 ' H ' HD12 ' A' ' 33' ' ' LEU . . . -67.86 -103.83 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.498 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.08 155.11 6.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.627 -0.796 . . . . 0.0 112.378 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.37 -34.91 62.85 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.569 2.179 . . . . 0.0 112.248 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.4 m -58.22 -45.16 88.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.794 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.654 HG23 ' HE1' ' A' ' 42' ' ' TYR . 3.1 mt -70.33 -60.7 2.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.06 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -47.39 -29.35 2.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.219 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.37 -25.86 22.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.786 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.483 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -73.56 -17.16 61.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.327 179.291 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.654 ' HE1' HG23 ' A' ' 38' ' ' ILE . 1.3 m-85 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.23 -0.89 . . . . 1.0 110.836 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.836 0.351 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.3 mm -89.52 141.15 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.172 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -100.71 61.03 0.63 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -113.37 -33.44 5.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.758 0.313 . . . . 0.0 110.856 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.65 90.93 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.433 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 179.81 37.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.807 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.421 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -141.51 146.17 40.82 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.787 -179.72 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 24.1 Cg_endo -61.29 85.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.466 2.111 . . . . 0.0 112.266 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.401 ' NE2' ' HB3' ' A' ' 7' ' ' GLN . 40.4 m170 -109.03 -65.58 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.7 mmt -130.46 31.31 4.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.826 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -110.69 42.45 1.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -77.09 95.3 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.3 mmt-85 -60.75 -73.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 15' ' ' GLY . 23.5 mm -95.25 160.23 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.494 ' N ' HG22 ' A' ' 14' ' ' ILE . . . 156.31 7.8 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.485 -0.864 . . . . 0.0 113.665 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.632 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 8.4 p-90 -50.13 -48.6 53.58 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 117.464 0.632 . . . . 0.0 110.549 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.632 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 4.2 mt -64.33 -21.31 66.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.862 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -93.0 20.08 7.11 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.657 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -127.85 -51.45 1.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.395 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.472 ' HA ' ' HB3' ' A' ' 23' ' ' GLN . 3.4 pp -64.47 -25.12 67.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.851 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -57.7 -45.35 93.47 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.575 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -84.07 -30.84 25.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.703 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.472 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 1.1 tt0 -61.77 -37.43 84.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.818 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.0 mt -114.26 -42.01 3.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.211 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.45 12.25 9.0 Favored Glycine 0 CA--C 1.518 0.225 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.702 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mmtm -75.54 113.21 24.13 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.48 0.181 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.68 -63.27 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.448 2.098 . . . . 0.0 112.376 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -153.67 -113.95 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.695 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.518 ' ND2' HD12 ' A' ' 33' ' ' LEU . 11.0 p30 -76.57 124.65 27.94 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.871 0.367 . . . . 0.0 110.963 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.86 78.32 1.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.936 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.92 40.75 22.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.914 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -128.73 25.99 4.62 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.579 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.666 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -89.41 167.46 12.99 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.803 0.335 . . . . 0.0 110.964 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.828 ' C ' HD13 ' A' ' 38' ' ' ILE . . . -151.08 -114.93 0.67 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.592 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.33 -166.37 27.23 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.425 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.46 -46.81 0.84 Allowed 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.54 2.16 . . . . 0.0 112.397 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.9 m -57.76 -44.51 86.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.551 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.828 HD13 ' C ' ' A' ' 34' ' ' GLY . 4.4 mp -68.25 -57.52 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.959 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -48.88 -28.92 4.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -87.25 -26.16 23.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.693 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.481 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -72.66 -18.56 61.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.062 0.458 . . . . 0.0 110.141 179.177 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.649 ' HE1' HG23 ' A' ' 38' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.341 -0.838 . . . . 1.0 110.814 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.829 0.347 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 3' ' ' GLY . 24.9 mm -113.3 158.25 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.469 ' N ' HG22 ' A' ' 2' ' ' ILE . . . -124.91 -69.49 0.2 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.526 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -121.29 -13.28 8.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.627 0.251 . . . . 0.0 111.392 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.4 ' O ' ' HB3' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -57.34 -162.46 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.537 0 CA-C-O 120.77 0.319 . . . . 0.0 111.269 -179.642 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 5' ' ' MET . 27.2 tt0 66.27 -73.46 0.07 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.46 134.67 82.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.689 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -78.47 120.29 4.79 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.878 2.385 . . . . 0.0 112.71 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -118.99 -75.64 0.58 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.937 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 167.28 42.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.712 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.6 t70 61.77 93.47 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.78 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.0 p -119.89 175.24 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.013 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.21 75.57 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.793 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.1 tt -66.35 159.28 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.203 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' A' ' 18' ' ' HIS . . . 147.92 13.4 0.14 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.795 -0.717 . . . . 0.0 113.322 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.631 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 8.9 p-90 -49.82 -45.18 49.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.202 0.525 . . . . 0.0 110.652 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.631 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 1.4 mt -64.71 -21.7 66.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.014 178.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.8 m80 -93.72 21.89 6.03 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.675 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -130.44 -47.14 1.08 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.24 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.529 ' HA ' ' CG ' ' A' ' 23' ' ' GLN . 3.0 pp -63.12 -29.39 70.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.892 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.458 ' C ' HG22 ' A' ' 24' ' ' ILE . . . -61.38 -30.21 73.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.976 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -91.43 -57.91 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.934 0.397 . . . . 0.0 111.208 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.529 ' CG ' ' HA ' ' A' ' 20' ' ' LEU . 2.1 pt20 -53.98 -31.25 50.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.448 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 25' ' ' GLY . 9.7 tt -54.25 -48.32 67.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.191 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.492 ' N ' HG23 ' A' ' 24' ' ' ILE . . . 60.65 115.15 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.411 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.65 107.14 0.78 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.596 0.236 . . . . 0.0 111.178 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -60.49 -53.2 3.04 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.539 2.16 . . . . 0.0 112.212 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.402 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -146.78 28.2 1.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.888 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.2 t30 45.93 49.94 11.62 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.256 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.3 t 56.4 103.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -140.31 -58.42 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -104.99 40.19 2.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.546 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.462 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -66.54 166.75 12.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.462 ' H ' HD23 ' A' ' 33' ' ' LEU . . . 105.68 -143.43 15.7 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.4 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.02 54.69 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.56 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.38 -41.38 6.75 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.52 2.146 . . . . 0.0 112.248 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.4 m -55.87 -42.8 76.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.57 HG23 ' CE1' ' A' ' 42' ' ' TYR . 25.3 mt -68.3 -59.19 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.001 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -46.71 -28.92 1.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.267 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -90.49 -24.93 20.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.017 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.526 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.9 OUTLIER -73.92 -17.47 61.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 110.3 179.369 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.57 ' CE1' HG23 ' A' ' 38' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.161 -0.923 . . . . 1.0 110.829 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.51 ' O ' HD13 ' A' ' 2' ' ' ILE . . . . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.794 0.33 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 1' ' ' ALA . 25.6 mm -131.39 145.54 35.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.077 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -120.71 -38.84 0.64 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.538 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.7 m-80 70.22 44.0 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.098 0.475 . . . . 0.0 110.603 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.92 103.47 0.07 Allowed 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.413 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 56.47 50.17 13.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.433 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -94.84 171.11 7.03 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.707 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 79.5 Cg_endo -77.92 103.01 1.64 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.563 2.175 . . . . 0.0 112.329 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -111.68 83.43 1.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -110.86 57.63 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -146.37 76.34 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.5 p -99.48 126.76 45.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.3 ttt85 -111.26 -33.25 6.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.442 HG13 ' N ' ' A' ' 15' ' ' GLY . 8.3 tp -74.09 156.17 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.442 ' N ' HG13 ' A' ' 14' ' ' ILE . . . 124.78 11.98 4.23 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 121.061 -0.59 . . . . 0.0 113.042 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.513 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 7.2 p-90 -50.52 -43.68 55.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.192 0.52 . . . . 0.0 110.503 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.513 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 2.1 mt -66.12 -21.99 66.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.918 178.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.9 m80 -93.0 19.91 7.3 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.829 -1.078 . . . . 0.0 110.885 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -127.02 -48.87 1.47 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.055 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 2.7 pp -62.94 -35.42 80.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.566 179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.17 -19.11 56.71 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.52 -0.847 . . . . 0.0 112.25 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.74 -40.52 9.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.703 0.287 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 7.7 pt20 -59.31 -34.15 71.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.824 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.0 mm -67.26 -65.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.901 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.39 -106.67 0.29 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.568 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -103.94 94.38 6.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 120.478 0.18 . . . . 0.0 110.876 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 26' ' ' LYS . 19.4 Cg_endo -61.33 -62.67 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.372 2.048 . . . . 0.0 112.375 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.464 ' O ' ' C ' ' A' ' 29' ' ' ASN . 0.1 OUTLIER -165.96 27.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.452 179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.464 ' C ' ' O ' ' A' ' 28' ' ' TYR . 28.3 t30 20.85 70.03 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 t 47.94 86.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.235 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.43 -71.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.982 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 175.15 -33.75 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.565 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.4 OUTLIER -55.29 165.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.367 . . . . 0.0 110.998 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.565 ' H ' HD23 ' A' ' 33' ' ' LEU . . . -156.41 128.54 2.22 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.434 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -145.42 72.33 0.34 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.571 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.28 -42.23 66.72 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.615 2.21 . . . . 0.0 112.205 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.42 -47.44 69.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.54 HG23 ' CE1' ' A' ' 42' ' ' TYR . 3.0 mp -65.0 -56.39 16.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.016 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.83 -29.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.147 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -88.98 -24.59 22.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 38' ' ' ILE . 0.9 OUTLIER -70.19 -21.07 63.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.04 178.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.54 ' CE1' HG23 ' A' ' 38' ' ' ILE . 2.5 m-85 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.217 -0.897 . . . . 1.0 110.819 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.9 0.381 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 3' ' ' GLY . 2.9 mt -109.87 154.87 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.152 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.423 ' N ' HG22 ' A' ' 2' ' ' ILE . . . -91.19 -46.37 3.86 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.49 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 69.86 33.33 2.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.001 0.429 . . . . 0.0 110.533 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -55.24 122.46 11.12 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.367 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 57.35 55.71 5.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.026 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.427 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -95.6 168.6 10.58 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.65 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 69.4 Cg_endo -74.98 90.17 1.1 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.546 2.164 . . . . 0.0 112.347 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.0 m170 -106.21 75.22 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.69 29.47 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.75 -68.86 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.91 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' A' ' 13' ' ' ARG . 4.2 p 70.11 -60.46 0.48 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.304 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' N ' ' OG ' ' A' ' 12' ' ' SER . 4.0 mtp180 70.45 7.93 6.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.492 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 tt -125.45 169.43 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-O 120.827 0.346 . . . . 0.0 111.17 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.401 ' O ' ' N ' ' A' ' 18' ' ' HIS . . . 116.19 14.78 7.51 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.991 -0.623 . . . . 0.0 112.875 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.479 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 5.1 p-90 -51.62 -40.84 60.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.2 0.524 . . . . 0.0 110.367 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.479 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 1.3 mt -67.99 -23.23 65.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.832 178.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.9 m80 -92.86 20.46 6.57 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.853 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -127.58 -50.05 1.38 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.178 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' O ' ' HG2' ' A' ' 23' ' ' GLN . 2.9 pp -60.6 -28.01 68.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.65 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.68 -22.87 70.29 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.288 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.49 -41.58 9.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.718 0.294 . . . . 0.0 110.974 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 20' ' ' LEU . 2.8 pt20 -59.9 -34.96 73.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 30.8 mm -72.53 -65.93 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 173.17 -104.41 0.2 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.635 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.46 123.2 28.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 120.582 0.23 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.83 -49.62 0.53 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.377 2.052 . . . . 0.0 112.383 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -173.7 33.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.206 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 43.23 50.63 5.78 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.392 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t 55.78 62.78 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.5 t 62.28 17.48 9.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.288 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 94.11 -34.25 4.79 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.6 -0.81 . . . . 0.0 112.526 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.5 166.22 21.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.994 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 112.1 88.52 1.78 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.372 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -101.58 146.88 17.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.475 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.66 -36.89 90.98 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.503 2.135 . . . . 0.0 112.33 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.53 -51.36 67.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.616 HG23 ' HE1' ' A' ' 42' ' ' TYR . 2.9 mp -64.76 -58.92 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.06 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -45.64 -28.37 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.412 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -91.73 -22.8 20.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 38' ' ' ILE . 1.3 ttpm? -72.65 -20.72 61.21 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.872 0.368 . . . . 0.0 110.049 179.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.616 ' HE1' HG23 ' A' ' 38' ' ' ILE . 12.1 m-85 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.241 -0.885 . . . . 1.0 110.902 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.718 0.294 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 3' ' ' GLY . 30.5 mm -101.73 158.46 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.14 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.476 ' N ' HG22 ' A' ' 2' ' ' ILE . . . -97.02 55.03 1.33 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.582 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -125.0 -39.8 2.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.764 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.47 101.88 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.456 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -177.04 -39.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.8 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.409 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 12.6 tt0 -86.76 141.27 33.62 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.8 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 58.4 Cg_endo -68.91 111.57 2.68 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.75 2.3 . . . . 0.0 112.255 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -115.51 -49.45 2.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.09 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.1 mtt -136.02 68.49 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.031 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -137.02 -80.57 0.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.721 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.3 t 53.42 82.81 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.055 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.5 mtm-85 -58.48 -75.5 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.2 mm -83.92 142.0 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.237 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 168.64 6.6 0.03 OUTLIER Glycine 0 CA--C 1.52 0.406 0 C-N-CA 120.686 -0.769 . . . . 0.0 113.55 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.651 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 8.6 p-90 -51.03 -47.68 61.63 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 117.39 0.595 . . . . 0.0 110.492 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.651 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 3.7 mt -65.14 -20.11 66.3 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.84 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.6 m80 -93.01 19.79 7.43 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.73 179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -128.38 -52.55 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.103 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.488 HD13 ' HD2' ' A' ' 26' ' ' LYS . 2.5 pp -61.61 -24.36 66.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.746 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -51.98 -55.74 19.76 Favored Glycine 0 C--N 1.333 0.415 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.318 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -79.91 -28.53 39.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.952 0.406 . . . . 0.0 110.476 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 3.8 tp-100 -57.09 -38.58 73.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.963 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.1 mt -112.89 -41.45 3.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.17 12.17 7.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.998 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.488 ' HD2' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -92.0 133.61 30.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.548 0.213 . . . . 0.0 110.744 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.07 -49.46 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.437 2.091 . . . . 0.0 112.426 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -169.72 -110.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.825 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.23 70.73 0.8 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.2 p -106.94 52.23 0.72 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.864 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.6 t -179.51 -38.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.96 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -117.57 47.04 1.07 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.507 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.579 HD12 ' H ' ' A' ' 34' ' ' GLY . 11.6 tp -79.35 154.75 28.82 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.816 0.341 . . . . 0.0 110.425 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.579 ' H ' HD12 ' A' ' 33' ' ' LEU . . . -151.74 -160.41 9.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.624 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.599 ' N ' HD13 ' A' ' 38' ' ' ILE . . . 178.11 -169.72 41.63 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.467 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.83 -46.28 24.11 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.638 2.225 . . . . 0.0 112.442 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 m -54.7 -50.47 68.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.053 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.656 HG23 ' HE1' ' A' ' 42' ' ' TYR . 4.6 mp -61.98 -55.49 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.9 tttp -48.49 -29.66 4.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -85.84 -25.67 26.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.608 179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.491 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.1 OUTLIER -71.63 -19.83 62.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.013 178.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.656 ' HE1' HG23 ' A' ' 38' ' ' ILE . 3.7 m-85 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.264 -0.874 . . . . 1.0 110.805 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.842 0.353 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.24 141.81 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.63 -96.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.438 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -120.08 -38.04 2.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.687 0.279 . . . . 0.0 110.906 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.59 132.46 10.83 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.301 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -97.97 -42.94 7.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.048 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.42 134.98 90.86 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -86.1 129.78 3.41 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.766 2.31 . . . . 0.0 112.662 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -165.52 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.843 179.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.7 mmt 54.69 30.05 12.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.131 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -105.33 29.77 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.984 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.22 78.16 0.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.057 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.4 mmt85 -106.42 -51.21 2.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.656 HG23 ' N ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER 44.21 -169.93 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.843 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.656 ' N ' HG23 ' A' ' 14' ' ' ILE . . . 106.63 14.91 18.45 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.755 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.458 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 6.6 p-90 -50.96 -43.78 60.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.207 0.527 . . . . 0.0 110.593 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 5.4 mt -65.55 -22.51 66.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.91 178.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.4 m80 -93.52 21.29 6.38 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.858 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -128.94 -49.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.321 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.02 -28.79 69.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.856 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.28 -36.59 93.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.44 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -81.81 -40.1 23.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.765 0.316 . . . . 0.0 110.807 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -62.81 -28.82 70.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.689 HG22 ' O ' ' A' ' 24' ' ' ILE . 24.2 mm 42.27 70.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-O 121.249 0.547 . . . . 0.0 111.143 179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.18 -10.52 85.99 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.836 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.8 121.19 79.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.571 0.185 . . . . 0.0 110.807 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.04 -42.18 66.45 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.429 2.086 . . . . 0.0 112.318 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -165.59 44.19 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 49.53 90.13 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.065 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.2 t -116.94 -134.98 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 t 69.33 114.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.71 47.82 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -62.36 166.87 4.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.771 0.319 . . . . 0.0 110.9 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.58 ' H ' HD23 ' A' ' 33' ' ' LEU . . . 156.25 -41.92 0.56 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.493 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -131.33 139.87 11.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.433 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.92 -42.37 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.562 2.174 . . . . 0.0 112.343 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.43 -45.22 84.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.767 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.602 HG23 ' HE1' ' A' ' 42' ' ' TYR . 2.5 mp -66.02 -58.62 6.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.071 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -48.36 -28.87 3.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.65 -26.93 25.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.637 179.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.495 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -72.78 -18.3 61.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.027 0.441 . . . . 0.0 110.145 179.028 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.602 ' HE1' HG23 ' A' ' 38' ' ' ILE . 1.7 m-85 . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.107 -0.949 . . . . 1.0 110.829 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.785 0.326 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.593 ' O ' HG22 ' A' ' 2' ' ' ILE . 21.1 mm -116.17 20.98 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.371 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 130.93 -34.91 2.55 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.458 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -156.58 -41.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.804 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.59 95.23 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.602 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.07 -23.57 38.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.991 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.443 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -71.79 159.88 84.21 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.536 ' O ' ' CG ' ' A' ' 9' ' ' HIS . 18.7 Cg_endo -58.44 -156.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.744 2.296 . . . . 0.0 112.14 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 8' ' ' PRO . 14.2 p80 49.81 32.89 5.74 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.853 0.358 . . . . 0.0 111.442 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.0 mmt -141.77 38.92 1.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.97 -77.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.984 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.3 t 61.12 47.09 7.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.15 45.46 11.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.814 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.7 tt -77.38 159.7 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.276 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 18' ' ' HIS . . . 128.71 13.15 2.56 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.974 -0.631 . . . . 0.0 113.159 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.442 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 6.1 p-90 -50.9 -38.93 52.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.134 0.492 . . . . 0.0 110.53 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.442 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 4.2 mt -71.05 -21.88 62.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.017 178.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.2 m80 -93.48 21.51 6.15 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 114.945 -1.025 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -131.91 -48.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.215 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.497 ' HA ' ' HB3' ' A' ' 23' ' ' GLN . 3.6 pp -65.63 -18.48 65.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.941 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -56.44 -53.41 43.48 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.575 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -86.08 -32.49 21.35 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.834 0.349 . . . . 0.0 110.674 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.497 ' HB3' ' HA ' ' A' ' 20' ' ' LEU . 2.7 tp-100 -58.1 -37.96 75.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.783 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.712 HG22 ' O ' ' A' ' 24' ' ' ILE . 5.7 mt 40.57 68.66 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 CA-C-O 121.282 0.563 . . . . 0.0 111.252 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.22 -8.99 70.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.853 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.407 ' CG ' ' HD2' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -86.11 148.23 47.18 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-O 120.595 0.236 . . . . 0.0 110.973 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.407 ' HD2' ' CG ' ' A' ' 26' ' ' LYS . 39.2 Cg_exo -60.74 -14.51 32.15 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.679 2.253 . . . . 0.0 112.585 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.522 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -156.81 98.27 1.77 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.185 0.517 . . . . 0.0 110.492 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -57.24 79.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.415 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER 52.98 104.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.416 179.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.16 131.97 46.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.834 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.26 66.23 0.32 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.592 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.576 HD12 ' H ' ' A' ' 34' ' ' GLY . 9.4 tp -72.85 156.79 38.52 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 110.341 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.576 ' H ' HD12 ' A' ' 33' ' ' LEU . . . -47.28 116.43 2.62 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.835 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.681 ' HA3' HD12 ' A' ' 38' ' ' ILE . . . -170.16 106.21 0.24 Allowed Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.381 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -48.96 -37.77 37.64 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.55 2.166 . . . . 0.0 112.453 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 m -59.06 -42.25 89.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.825 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.681 HD12 ' HA3' ' A' ' 35' ' ' GLY . 3.3 mt -70.07 -60.67 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.224 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.39 -29.2 2.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.211 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.81 -25.61 22.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.92 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.454 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.6 OUTLIER -73.98 -16.94 61.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.315 179.179 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.659 ' HE1' HG23 ' A' ' 38' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.281 -0.866 . . . . 1.0 110.805 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 2' ' ' ILE . 3.8 mp -92.37 155.58 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.436 ' N ' HG22 ' A' ' 2' ' ' ILE . . . -79.3 -76.94 0.94 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 60.78 20.68 10.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.672 0.272 . . . . 0.0 111.063 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.91 103.34 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.456 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -133.95 21.86 3.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.058 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.459 ' N ' ' HD3' ' A' ' 8' ' ' PRO . 3.9 tt0 36.94 56.6 3.55 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.699 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 7' ' ' GLN . 67.0 Cg_endo -89.21 30.2 0.41 Allowed 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 122.825 2.35 . . . . 0.0 112.658 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -148.11 101.78 3.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.808 0.337 . . . . 0.0 111.031 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.5 mtt -123.18 34.26 5.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 72.23 -58.88 0.58 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.977 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t -154.52 125.42 7.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.62 -52.23 19.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.7 tt -78.26 160.13 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 140.7 15.37 0.48 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.727 -0.749 . . . . 0.0 113.32 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.466 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 3.9 p-90 -51.68 -37.7 51.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.092 0.472 . . . . 0.0 110.439 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.466 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 3.6 mt -72.39 -22.32 61.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.001 178.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -93.72 20.95 6.91 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -131.43 -46.8 0.98 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.303 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.456 ' O ' HG22 ' A' ' 24' ' ' ILE . 3.5 pp -66.73 -25.88 66.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.861 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.65 -28.09 73.28 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.564 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -93.4 -33.55 13.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.942 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -67.15 -36.52 82.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.824 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 20' ' ' LEU . 17.2 tt -72.7 -39.98 61.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.235 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.402 ' N ' HG23 ' A' ' 24' ' ' ILE . . . 68.56 121.74 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.489 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 pttm -108.5 143.23 27.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.603 0.239 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.46 -58.83 1.07 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.404 2.069 . . . . 0.0 112.272 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.481 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.2 OUTLIER 177.59 108.76 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.698 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -57.99 79.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.019 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER 46.36 30.43 1.04 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.374 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.72 131.4 43.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -75.89 -24.18 70.19 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.537 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.617 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -58.44 166.36 1.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.337 . . . . 0.0 110.969 179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.617 ' H ' HD23 ' A' ' 33' ' ' LEU . . . 128.92 -113.83 1.64 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.43 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.31 152.64 24.39 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.469 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.15 -38.62 8.85 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.459 2.106 . . . . 0.0 112.299 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.74 -46.14 84.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.774 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.606 HG23 ' HE1' ' A' ' 42' ' ' TYR . 3.1 mp -68.89 -59.09 3.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.101 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.17 -29.48 3.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -86.78 -26.32 24.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.675 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.524 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -72.21 -18.48 61.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.11 179.115 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.606 ' HE1' HG23 ' A' ' 38' ' ' ILE . 1.7 m-85 . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.099 -0.953 . . . . 1.0 110.813 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.892 0.377 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 3' ' ' GLY . 3.1 mp -91.35 159.69 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.482 ' N ' HG22 ' A' ' 2' ' ' ILE . . . -56.23 -26.83 51.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.646 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 68.0 86.17 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.858 0.361 . . . . 0.0 110.679 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -162.25 0.0 OUTLIER 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.173 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -62.45 82.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.828 0.347 . . . . 0.0 110.998 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.447 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -109.46 161.11 25.25 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.619 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 36.8 Cg_endo -65.48 95.46 0.27 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.423 2.082 . . . . 0.0 112.215 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -110.51 77.48 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.0 mtt 58.87 25.48 13.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 t70 55.26 79.28 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.6 p -71.34 -176.19 1.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.742 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 70.34 94.21 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.8 tt -79.66 159.91 4.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.171 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' HIS . . . 129.59 13.35 2.31 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.156 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.51 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 6.6 p-90 -50.77 -38.93 50.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.162 0.506 . . . . 0.0 110.566 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.51 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 1.4 mt -71.26 -21.71 62.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.078 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.5 m80 -93.29 20.46 7.02 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.097 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -131.89 -45.71 0.95 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.185 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.573 ' HA ' ' CG ' ' A' ' 23' ' ' GLN . 3.2 pp -67.38 -25.44 65.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.928 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.98 -19.9 68.24 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.988 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.88 -44.29 5.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.742 0.306 . . . . 0.0 111.118 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.573 ' CG ' ' HA ' ' A' ' 20' ' ' LEU . 1.8 pt20 -68.72 -25.2 64.64 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.31 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 tt -52.44 -27.43 10.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.303 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.38 124.4 0.16 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.55 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.97 154.08 77.68 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 120.754 0.311 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.415 ' O ' ' C ' ' A' ' 28' ' ' TYR . 67.4 Cg_endo -73.34 61.94 4.26 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.665 2.243 . . . . 0.0 112.146 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.623 ' CD1' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -26.76 -86.8 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.319 -0.855 . . . . 0.0 112.136 179.616 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -131.03 68.61 1.48 Allowed 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.908 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -101.11 31.43 3.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.77 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.67 -169.33 1.46 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -140.4 -63.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.574 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.523 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -64.56 166.17 8.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.823 0.344 . . . . 0.0 110.997 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.523 ' H ' HD23 ' A' ' 33' ' ' LEU . . . 125.94 161.01 10.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -125.8 91.18 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.503 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.31 -44.85 0.99 Allowed 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.601 2.2 . . . . 0.0 112.458 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 m -54.34 -44.32 72.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.642 HG23 ' HE1' ' A' ' 42' ' ' TYR . 4.1 mp -68.92 -59.25 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.188 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.83 -29.22 3.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -88.46 -25.78 22.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.795 179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.48 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -71.89 -19.21 61.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.097 179.281 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.642 ' HE1' HG23 ' A' ' 38' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.778 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.829 0.347 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mt -94.05 141.6 14.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.15 52.44 3.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.518 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -104.54 -68.55 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -46.98 121.58 3.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -137.13 28.88 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.406 ' HG3' ' HD2' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -94.27 163.72 22.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.862 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HD2' ' HG3' ' A' ' 7' ' ' GLN . 71.6 Cg_endo -77.49 67.23 7.86 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.652 2.235 . . . . 0.0 112.372 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -85.99 73.39 10.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.1 mtt -87.99 -100.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -131.92 54.21 1.95 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.0 t -59.93 111.15 1.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.6 mtt85 -101.27 -8.44 22.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.442 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.659 HG23 ' N ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER 44.67 -170.22 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 120.794 0.331 . . . . 0.0 111.748 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.659 ' N ' HG23 ' A' ' 14' ' ' ILE . . . 120.88 14.09 5.28 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.971 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.544 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 7.2 p-90 -50.46 -44.36 55.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.111 0.481 . . . . 0.0 110.506 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.544 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 1.6 mt -65.56 -21.3 66.58 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.012 178.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' GLY . 8.4 m80 -93.94 19.67 8.73 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.869 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -126.84 -52.56 1.44 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.045 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.863 HD12 ' N ' ' A' ' 21' ' ' GLY . 3.0 pp -59.25 -28.59 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.749 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.863 ' N ' HD12 ' A' ' 20' ' ' LEU . . . -64.59 -36.35 93.04 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.283 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.16 -37.2 46.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.772 0.32 . . . . 0.0 110.765 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -58.62 -45.65 88.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.4 mm -74.38 -60.98 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.081 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.4 92.11 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.431 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.67 87.88 55.12 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-O 120.707 0.289 . . . . 0.0 110.796 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.27 -64.78 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.548 2.165 . . . . 0.0 112.31 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 171.62 70.08 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.911 0.386 . . . . 0.0 110.858 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 26.8 t30 51.08 90.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.8 p -92.79 52.35 1.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.952 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.0 m -68.88 152.03 45.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 177.16 -35.26 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.565 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.65 166.05 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.836 0.351 . . . . 0.0 110.952 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -121.98 74.73 0.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.595 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -138.04 141.51 12.21 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.38 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.11 -44.68 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.45 2.1 . . . . 0.0 112.401 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.3 m -56.23 -44.62 79.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.801 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.627 HG23 ' HE1' ' A' ' 42' ' ' TYR . 3.7 mp -68.75 -59.15 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.017 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -28.38 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.47 -24.09 20.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.917 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.485 ' HD2' ' CZ ' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -72.01 -20.13 61.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.158 179.254 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.627 ' HE1' HG23 ' A' ' 38' ' ' ILE . 6.7 m-85 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.236 -0.888 . . . . 1.0 110.812 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.846 0.355 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.592 ' O ' HG22 ' A' ' 2' ' ' ILE . 3.4 mp -99.47 21.42 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.336 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 91.49 -85.64 1.27 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.332 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -166.51 -41.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.949 0.404 . . . . 0.0 110.738 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.81 135.19 24.34 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.388 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -97.87 26.43 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.412 ' CG ' ' HD2' ' A' ' 8' ' ' PRO . 0.5 OUTLIER -130.98 150.13 75.73 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.701 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HD2' ' CG ' ' A' ' 7' ' ' GLN . 68.0 Cg_endo -73.73 102.84 1.55 Allowed 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.521 2.147 . . . . 0.0 112.365 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.401 ' NE2' ' HB3' ' A' ' 7' ' ' GLN . 53.4 m170 -115.59 -95.15 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.77 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.1 mtt 43.34 54.02 5.32 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.779 0.323 . . . . 0.0 111.632 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.38 -84.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.99 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 173.52 81.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.706 0.289 . . . . 0.0 110.819 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.78 -58.39 1.94 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.674 HG23 ' N ' ' A' ' 15' ' ' GLY . 0.3 OUTLIER 43.71 -168.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.682 179.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.674 ' N ' HG23 ' A' ' 14' ' ' ILE . . . 97.6 13.78 43.08 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.756 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.453 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 6.2 p-90 -51.43 -42.05 61.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.157 0.503 . . . . 0.0 110.452 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.453 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 1.5 mt -66.9 -22.01 65.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.766 178.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.412 ' N ' ' O ' ' A' ' 15' ' ' GLY . 7.6 m80 -93.77 21.23 6.69 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.7 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -128.91 -50.1 1.23 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.4 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.13 -28.85 68.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.817 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.77 -46.92 93.55 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.41 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.25 -38.04 66.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.358 . . . . 0.0 110.749 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -63.82 -25.23 68.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.024 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.713 HG22 ' O ' ' A' ' 24' ' ' ILE . 21.4 mm 44.41 72.54 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 121.27 0.557 . . . . 0.0 111.045 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.86 -10.73 72.91 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.793 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.47 131.07 37.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 120.519 0.2 . . . . 0.0 110.745 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 63.6 Cg_endo -74.11 -38.73 1.99 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.388 2.059 . . . . 0.0 112.416 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.44 ' CD1' ' HG2' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -147.48 33.07 0.87 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.01 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 48.2 79.81 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.102 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 59.6 p -97.47 -132.04 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.628 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 77.08 104.46 0.07 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.868 0.365 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 171.62 40.17 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.286 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.53 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -67.4 170.12 7.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.861 0.362 . . . . 0.0 110.981 -179.768 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.53 ' H ' HD23 ' A' ' 33' ' ' LEU . . . 118.12 59.7 0.28 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.538 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.53 98.79 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -51.26 -34.48 49.42 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.536 2.158 . . . . 0.0 112.304 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.83 -46.81 86.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.643 HG23 ' HE1' ' A' ' 42' ' ' TYR . 3.5 mp -67.11 -59.14 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.067 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -47.81 -29.21 3.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -87.19 -26.21 23.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.755 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.5 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -73.5 -17.71 61.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.206 179.17 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.643 ' HE1' HG23 ' A' ' 38' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.183 -0.913 . . . . 1.0 110.828 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.826 0.345 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 3' ' ' GLY . 2.9 mp -118.94 158.78 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.204 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.482 ' N ' HG22 ' A' ' 2' ' ' ILE . . . 140.43 41.97 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.592 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 179.22 -63.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.835 0.35 . . . . 0.0 110.798 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -46.64 133.49 10.33 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.093 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -172.29 -41.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.404 ' HG3' ' HD2' ' A' ' 8' ' ' PRO . 0.1 OUTLIER -81.92 156.99 69.59 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.849 -179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.404 ' HD2' ' HG3' ' A' ' 7' ' ' GLN . 72.0 Cg_endo -76.48 96.05 1.07 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.627 2.218 . . . . 0.0 112.314 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -100.41 -53.41 3.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 59.09 71.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 28.0 p30 -113.4 30.01 7.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 p -120.65 29.24 7.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -105.72 55.62 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.999 0.428 . . . . 0.0 110.758 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.472 HG22 ' CD1' ' A' ' 16' ' ' TRP . 4.5 mt -81.62 135.99 23.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.16 12.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.359 -0.924 . . . . 0.0 113.728 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.69 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 9.8 p-90 -51.86 -46.02 64.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.251 0.548 . . . . 0.0 110.317 179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.69 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 2.0 mt -65.46 -20.47 66.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.77 178.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -93.61 18.74 9.54 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.678 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -126.27 -46.84 1.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.197 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 pp -58.72 -29.55 66.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.808 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.09 -32.96 83.97 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.429 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -82.22 -31.82 30.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.791 0.329 . . . . 0.0 110.809 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -63.7 -46.49 85.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.731 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.3 mt -90.16 -67.72 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.092 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.31 10.54 33.66 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.872 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -57.77 138.29 82.67 Favored Pre-proline 0 N--CA 1.451 -0.39 0 CA-C-N 116.608 0.204 . . . . 0.0 110.915 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 28' ' ' TYR . 14.3 Cg_exo -68.99 59.28 1.24 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.669 2.246 . . . . 0.0 112.561 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER 23.06 72.9 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.054 0.541 . . . . 0.0 112.413 179.68 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 60.98 -81.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 t -162.1 113.75 1.66 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.846 0.355 . . . . 0.0 110.995 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.437 ' CB ' ' CE1' ' A' ' 28' ' ' TYR . 0.1 OUTLIER -153.78 -45.64 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -131.11 54.86 0.78 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.308 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.3 15.09 14.55 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.033 0.445 . . . . 0.0 111.441 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.684 ' HA3' HD12 ' A' ' 38' ' ' ILE . . . -46.73 135.91 10.11 Favored Glycine 0 CA--C 1.518 0.258 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.698 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.53 -108.07 1.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.79 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.97 -25.56 38.29 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.529 2.153 . . . . 0.0 112.532 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 t -57.34 -64.12 1.0 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.904 0.383 . . . . 0.0 110.721 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.684 HD12 ' HA3' ' A' ' 34' ' ' GLY . 52.8 mt -66.42 -50.31 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.849 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.6 mmtm -49.61 -27.27 4.36 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.371 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -96.69 -21.43 17.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.057 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.542 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -72.42 -20.17 61.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.937 0.398 . . . . 0.0 110.184 179.327 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.681 ' CE1' HG23 ' A' ' 38' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.758 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.852 0.358 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 3' ' ' GLY . 1.0 OUTLIER -93.7 142.97 12.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.784 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.439 ' N ' HG13 ' A' ' 2' ' ' ILE . . . -68.87 74.48 0.34 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.565 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -155.94 27.1 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.67 132.37 17.63 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.437 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.437 ' HA ' ' CE1' ' A' ' 9' ' ' HIS . 3.6 tt0 -146.32 67.68 1.18 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.974 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.438 ' CB ' ' HD3' ' A' ' 8' ' ' PRO . 0.0 OUTLIER -99.52 -59.12 0.12 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.562 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HD3' ' CB ' ' A' ' 7' ' ' GLN . 86.4 Cg_endo -84.49 41.31 0.97 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.517 2.145 . . . . 0.0 113.172 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.437 ' CE1' ' HA ' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -174.76 77.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 110.65 179.411 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.51 15.04 24.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.323 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -178.35 37.44 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.77 0.319 . . . . 0.0 110.809 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.4 -52.01 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 tpt180 57.91 61.38 2.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.702 HD13 ' N ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -58.35 152.07 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.179 -179.814 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.702 ' N ' HD13 ' A' ' 14' ' ' ILE . . . 114.22 8.29 17.44 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.831 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 7.9 p-90 -51.94 -42.79 63.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.213 0.53 . . . . 0.0 110.294 179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.508 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 2.8 mt -68.08 -21.23 64.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.783 178.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -93.07 20.93 6.26 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 114.782 -1.099 . . . . 0.0 110.576 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -129.78 -49.82 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.264 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.888 ' O ' HG22 ' A' ' 24' ' ' ILE . 3.8 pp -67.15 -27.09 67.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.742 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.2 -24.48 73.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.307 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.64 -40.68 11.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -60.24 -38.29 82.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.888 HG22 ' O ' ' A' ' 20' ' ' LEU . 7.5 tt -97.21 40.44 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 120.969 0.414 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -89.48 10.8 72.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.761 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -51.8 106.49 0.66 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.516 0.198 . . . . 0.0 111.245 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -82.22 -5.09 11.95 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.459 2.106 . . . . 0.0 112.757 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.501 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 0.5 OUTLIER -156.29 94.85 1.54 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.027 0.441 . . . . 0.0 111.105 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 t30 60.29 -81.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.064 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 28' ' ' TYR . 9.1 t -164.94 -132.16 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.388 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.2 m -81.18 115.84 20.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.765 0.316 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -108.12 -54.06 0.63 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.58 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.93 -168.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 110.93 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.487 ' HA3' HD11 ' A' ' 38' ' ' ILE . . . 73.5 174.09 27.96 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.383 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -170.3 -64.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.747 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.42 -47.51 1.01 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.538 2.158 . . . . 0.0 112.647 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -55.72 -42.29 75.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 110.742 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.661 HG23 ' HE1' ' A' ' 42' ' ' TYR . 4.3 mp -71.33 -59.66 3.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.125 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.98 -30.01 3.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.196 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -88.82 -25.36 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 2.6 tppm? -73.43 -17.19 61.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.391 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.661 ' HE1' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.291 -0.861 . . . . 0.0 110.86 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.901 0.381 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.594 ' O ' HG22 ' A' ' 2' ' ' ILE . 3.5 mp -112.43 21.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.315 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.08 62.33 6.33 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.544 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -171.03 67.63 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.845 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -44.77 102.99 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.586 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -157.27 37.12 0.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.972 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.35 165.42 12.68 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -57.07 85.86 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.647 2.231 . . . . 0.0 112.343 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -113.1 60.55 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.1 mtm 59.14 61.26 2.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.67 52.92 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.848 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.96 -173.98 2.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 62.98 63.32 0.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.011 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.6 mm -110.26 -25.7 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.315 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.419 ' HA2' ' ND1' ' A' ' 18' ' ' HIS . . . -82.61 6.51 69.04 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.483 -0.865 . . . . 0.0 113.008 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.674 ' CZ2' HD11 ' A' ' 17' ' ' LEU . 7.3 p-90 -51.28 -46.76 62.56 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 117.157 0.478 . . . . 0.0 110.354 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.674 HD11 ' CZ2' ' A' ' 16' ' ' TRP . 1.4 mp -64.92 -22.06 66.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.579 178.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.419 ' ND1' ' HA2' ' A' ' 15' ' ' GLY . 9.3 m80 -91.47 17.91 7.98 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.847 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -126.0 -44.81 1.75 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.424 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.0 -32.9 74.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.591 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -59.78 -29.97 68.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.651 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -97.72 -30.35 12.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 111.093 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -67.61 -30.9 70.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.9 mt -99.36 -51.32 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.25 114.17 3.32 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.545 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.17 119.62 38.3 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.514 0.197 . . . . 0.0 110.85 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.22 -63.39 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.391 2.061 . . . . 0.0 112.262 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.1 OUTLIER -170.59 31.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.007 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 21.7 t30 54.1 -86.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.112 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.41 ' N ' ' O ' ' A' ' 28' ' ' TYR . 1.4 p -152.68 44.45 0.68 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.797 0.332 . . . . 0.0 110.882 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.53 157.18 31.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -81.63 -32.07 31.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.583 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.527 HD23 ' H ' ' A' ' 34' ' ' GLY . 0.2 OUTLIER -69.32 171.26 8.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.771 0.319 . . . . 0.0 110.873 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.527 ' H ' HD23 ' A' ' 33' ' ' LEU . . . -127.1 -115.2 1.92 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -177.57 -70.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.485 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.19 -34.2 28.71 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.689 2.259 . . . . 0.0 112.311 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.17 -58.8 6.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.192 -179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.89 -49.6 79.13 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.194 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.576 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -48.9 -29.3 4.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.963 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.32 -21.75 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.081 179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.496 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 0.0 OUTLIER -73.11 -19.37 61.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.948 0.404 . . . . 0.0 110.245 179.334 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.496 ' CE1' ' HB3' ' A' ' 41' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.23 -0.891 . . . . 1.0 110.781 179.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.912 0.387 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.461 HG22 ' N ' ' A' ' 3' ' ' GLY . 1.3 mp -80.8 160.58 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.997 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.461 ' N ' HG22 ' A' ' 2' ' ' ILE . . . -83.62 4.34 82.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.06 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -119.93 -28.34 5.2 Favored 'General case' 0 C--N 1.332 -0.176 0 O-C-N 122.726 -0.279 . . . . 0.0 111.14 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.68 109.31 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.672 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 56.84 38.22 29.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.113 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.505 ' HB3' ' HD3' ' A' ' 8' ' ' PRO . 2.5 tp-100 -83.34 -49.19 0.73 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.505 ' HD3' ' HB3' ' A' ' 7' ' ' GLN . 88.8 Cg_endo -82.37 -150.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.409 2.073 . . . . 0.0 111.882 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.478 ' CE1' ' HG2' ' A' ' 8' ' ' PRO . 1.2 m80 71.41 73.89 0.18 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.979 0.419 . . . . 0.0 110.843 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.1 mmt -137.93 48.3 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.77 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 21.4 t0 61.41 34.17 18.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 m 61.13 62.83 1.33 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.648 ' O ' HG22 ' A' ' 14' ' ' ILE . 0.1 OUTLIER 59.7 68.2 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.648 HG22 ' O ' ' A' ' 13' ' ' ARG . 2.1 tt 48.93 173.2 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.991 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' HIS . . . 121.57 15.98 4.32 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.895 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.471 ' CE3' ' HG ' ' A' ' 17' ' ' LEU . 5.2 p-90 -49.97 -39.95 42.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.136 0.493 . . . . 0.0 110.623 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' HG ' ' CE3' ' A' ' 16' ' ' TRP . 3.8 mt -72.17 -22.16 61.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.203 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' GLY . 6.0 m80 -93.86 20.4 7.73 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -130.78 -46.27 1.05 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.344 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 pp -66.13 -24.45 66.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.828 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.43 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -63.71 -35.04 91.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.559 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -96.56 -30.93 13.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.765 0.317 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -70.21 -28.39 65.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.497 HG23 ' N ' ' A' ' 25' ' ' GLY . 11.7 tt -61.13 -45.69 98.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.086 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.497 ' N ' HG23 ' A' ' 24' ' ' ILE . . . 81.41 127.07 0.84 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.538 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.57 112.33 59.83 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.441 0.162 . . . . 0.0 110.596 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.11 -23.58 39.61 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.546 2.164 . . . . 0.0 112.655 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.404 ' O ' ' N ' ' A' ' 30' ' ' SER . 0.2 OUTLIER -158.95 40.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.333 . . . . 0.0 111.07 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.9 t30 59.08 -82.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.953 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 28' ' ' TYR . 1.3 t -178.05 46.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.842 0.353 . . . . 0.0 110.858 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.5 t 61.78 79.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.07 52.14 0.46 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.533 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.28 111.89 1.72 Allowed 'General case' 0 N--CA 1.442 -0.852 0 CA-C-O 120.75 0.31 . . . . 0.0 110.908 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -176.0 -41.36 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.488 ' HA3' HD12 ' A' ' 38' ' ' ILE . . . 59.82 83.81 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.488 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.55 -37.23 17.42 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.574 2.183 . . . . 0.0 112.354 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -40.67 85.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.839 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.634 HG23 ' HE1' ' A' ' 42' ' ' TYR . 3.4 mt -71.56 -62.1 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -47.54 -29.27 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.284 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.1 -26.28 22.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.861 179.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.464 ' HB3' ' CE1' ' A' ' 42' ' ' TYR . 2.0 tppm? -75.49 -15.08 60.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.37 179.446 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.634 ' HE1' HG23 ' A' ' 38' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.238 -0.887 . . . . 1.0 110.758 179.803 . . . . . . . . 2 2 . 1 stop_ save_