data_2jye_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 2jye _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.9 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.783 0.325 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.571 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 7.4 t -125.68 143.38 39.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.463 ' HE3' ' O ' ' A' ' 10' ' ' VAL . 6.4 mttp -147.05 142.4 27.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.755 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -29.81 13.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.666 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.18 -171.79 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.717 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 mtt -92.75 46.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.93 -1.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.193 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.463 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -123.6 166.2 18.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.138 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.3 p -151.35 88.88 1.46 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.298 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.571 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -122.23 92.63 48.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.142 179.515 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' A' ' 16' ' ' TYR . 91.7 Cg_endo -75.48 -156.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.981 2.454 . . . . 0.0 113.401 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.4 140.51 22.02 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.44 -11.71 62.86 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.669 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.515 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 87.2 m-85 -105.16 154.89 19.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.016 0.436 . . . . 0.0 111.206 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.642 HG21 ' N ' ' A' ' 18' ' ' CYS . 8.4 m -122.45 149.15 44.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.279 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.642 ' N ' HG21 ' A' ' 17' ' ' THR . 67.1 m -103.81 108.93 20.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.833 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 t -125.23 130.55 52.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 145.62 41.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.224 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.7 177.9 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.399 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.573 ' C ' ' H ' ' A' ' 24' ' ' GLY . 7.3 pt20 -84.57 -5.25 59.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.168 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.24 25.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.821 0.343 . . . . 0.0 110.34 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.573 ' H ' ' C ' ' A' ' 22' ' ' GLN . . . 51.85 32.67 34.06 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.578 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -161.65 -172.7 3.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 111.261 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -101.53 171.24 7.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -131.19 140.6 11.92 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.535 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.514 ' HB3' ' HB3' ' A' ' 12' ' ' CYS . 28.2 m -104.47 116.13 31.56 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.515 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -105.34 106.5 56.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.575 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 87.3 Cg_endo -78.8 65.37 8.76 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.967 2.445 . . . . 0.0 112.917 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.673 ' HZ ' ' HA ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -156.37 173.22 17.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.074 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.67 92.33 3.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.414 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.01 -157.28 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.56 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.17 95.21 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.893 0.377 . . . . 0.0 110.53 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.673 ' HA ' ' HZ ' ' A' ' 31' ' ' PHE . 24.2 m -67.82 133.38 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.823 -179.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.138 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.309 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.93 0.395 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.462 ' C ' ' H ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -97.72 146.81 32.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.542 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.585 ' HD2' ' CE2' ' A' ' 48' ' ' PHE . 15.6 Cg_exo -69.13 34.68 0.19 Allowed 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 122.99 2.46 . . . . 0.0 112.778 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.462 ' H ' ' C ' ' A' ' 44' ' ' CYS . . . 66.29 161.4 0.15 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.097 0.475 . . . . 0.0 111.999 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.54 1.77 83.3 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.417 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.585 ' CE2' ' HD2' ' A' ' 45' ' ' PRO . 7.0 m-85 -123.8 141.21 52.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 111.267 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.665 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -111.14 161.26 16.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.286 179.047 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.844 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 18.0 p -83.22 128.79 34.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.173 0.511 . . . . 0.0 111.233 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.468 ' OD2' ' HG ' ' A' ' 61' ' ' LEU . 3.1 m-20 -122.54 179.96 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.661 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 63.26 10.95 5.01 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.233 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 57.46 14.05 2.08 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -110.05 -38.0 5.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.681 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.844 ' HA2' ' HB2' ' A' ' 50' ' ' CYS . . . 128.3 40.82 0.29 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.806 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.55 113.14 25.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.73 0.265 . . . . 0.0 110.825 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.665 ' HA ' ' O ' ' A' ' 49' ' ' THR . 1.1 m -84.4 115.82 22.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.874 0.369 . . . . 0.0 111.312 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -156.6 82.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.137 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.404 ' H ' ' HD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 63.24 164.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.525 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.569 ' HA ' ' OG1' ' A' ' 49' ' ' THR . 7.5 ptmm? -61.15 135.58 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.021 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.468 ' HG ' ' OD2' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -141.93 -82.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.409 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 20.3 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.761 0.315 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.7 t -94.25 110.48 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.334 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.588 ' HD2' ' HA ' ' A' ' 8' ' ' MET . 9.0 mtmm -99.58 132.36 44.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.33 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.4 m -123.13 17.38 9.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.365 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.529 ' HB2' ' CD1' ' A' ' 26' ' ' TRP . 20.2 t0 -173.7 13.69 0.01 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.273 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.588 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 3.4 mtt 55.08 33.24 19.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.163 0.506 . . . . 0.0 110.711 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -147.53 -41.44 0.18 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.432 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.422 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 20.0 m -84.75 174.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.617 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.79 100.32 2.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.066 0.46 . . . . 0.0 111.366 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.48 ' HB3' ' HB3' ' A' ' 16' ' ' TYR . 10.1 m -113.51 85.19 8.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.557 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 3' ' ' ASP . 59.1 Cg_endo -69.84 -161.95 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.718 2.279 . . . . 0.0 113.34 -178.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -49.42 134.46 18.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.609 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.539 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 84.48 0.5 89.35 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.392 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.538 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 98.3 m-85 -121.61 165.63 15.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.194 0.521 . . . . 0.0 111.569 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 2.7 t -143.21 158.99 43.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.499 178.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -104.35 124.15 48.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.309 0.576 . . . . 0.0 111.667 -179.236 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.95 124.87 27.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.045 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.39 153.19 12.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.205 0.526 . . . . 0.0 111.782 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.5 mt -138.08 103.42 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.572 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.27 17.36 6.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.26 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.0 t 63.66 3.51 1.55 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.692 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.16 -20.3 53.14 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.221 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.39 -171.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.696 0.284 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.529 ' CD1' ' HB2' ' A' ' 7' ' ' ASP . 88.2 m95 -115.01 166.17 12.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.703 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -132.83 153.02 20.5 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.754 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 17' ' ' THR . 75.7 m -105.32 110.21 22.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.894 0.378 . . . . 0.0 111.048 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -104.26 140.66 21.29 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.672 179.186 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.539 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 55.5 Cg_endo -74.66 39.2 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.242 1.962 . . . . 0.0 113.279 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 61.19 145.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.496 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.522 ' HB ' HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -175.56 40.93 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.98 179.453 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 60.86 35.37 19.34 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.019 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.77 92.93 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.474 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.522 HG21 ' HB ' ' A' ' 32' ' ' THR . 86.9 t -115.69 -67.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.069 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.796 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.846 0.355 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.417 ' C ' ' H ' ' A' ' 46' ' ' ALA . 10.2 m -81.14 156.83 71.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.628 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.62 36.32 0.38 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.803 2.335 . . . . 0.0 112.624 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 44' ' ' CYS . . . 67.02 127.22 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.61 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.9 -42.3 2.0 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.726 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.4 ' HB3' ' N ' ' A' ' 58' ' ' GLU . 5.3 m-85 -88.18 170.77 10.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 111.232 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.661 HG23 HD23 ' A' ' 61' ' ' LEU . 4.1 t -135.97 177.76 7.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.655 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.59 132.53 34.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.814 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.79 -176.37 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.46 14.38 5.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 58.45 13.56 2.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -117.46 -64.61 1.28 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.7 37.44 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.618 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.454 HG23 ' HG3' ' A' ' 58' ' ' GLU . 49.2 m -84.74 120.82 26.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.659 0.266 . . . . 0.0 110.716 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.617 ' HA ' ' O ' ' A' ' 49' ' ' THR . 92.6 m -84.31 112.08 19.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.957 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.454 ' HG3' HG23 ' A' ' 56' ' ' THR . 3.7 mt-10 -140.03 164.99 28.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 6.0 mt-30 -51.53 103.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.35 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER 54.76 179.77 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.696 179.639 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.661 HD23 HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -83.26 145.08 29.32 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.816 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.353 -179.719 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.828 0.347 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 t -84.22 119.7 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.06 130.15 55.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.625 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.85 -44.92 3.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.197 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -135.88 179.08 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.33 . . . . 0.0 110.999 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.18 38.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -161.06 -35.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.41 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.1 t -89.7 129.69 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.718 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.476 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -131.75 95.76 3.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.504 -179.555 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.587 ' HB3' ' HB3' ' A' ' 16' ' ' TYR . 17.8 m -100.59 97.53 6.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.524 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 11' ' ' SER . 92.7 Cg_endo -80.61 -156.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.551 2.167 . . . . 0.0 113.449 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.31 128.37 19.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.952 -179.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 81.22 8.01 87.76 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.824 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.587 ' HB3' ' HB3' ' A' ' 12' ' ' CYS . 92.9 m-85 -121.63 155.68 34.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.072 0.463 . . . . 0.0 111.306 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.526 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 98.0 m -127.07 138.48 53.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.234 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.416 ' N ' HG23 ' A' ' 17' ' ' THR . 13.7 p -103.8 114.22 28.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.212 0.53 . . . . 0.0 110.495 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -149.49 139.36 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.259 -179.184 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.515 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 15.2 mmt180 -53.15 147.58 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.5 mt -105.31 -87.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.558 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.39 28.16 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.324 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.48 9.19 4.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.117 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.16 -14.78 15.79 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.028 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -169.22 177.93 4.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.746 0.308 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.515 ' CZ3' ' HG2' ' A' ' 20' ' ' ARG . 71.7 m95 -101.38 159.28 15.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -134.19 156.0 22.15 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.545 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 17' ' ' THR . 99.3 m -105.1 113.78 27.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 t -104.41 119.41 53.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.853 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.52 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 95.3 Cg_endo -74.52 66.79 5.55 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.866 2.377 . . . . 0.0 112.548 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.447 ' HZ ' ' H ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -161.98 -171.2 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.072 -179.747 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.22 129.95 34.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.51 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -46.33 111.46 0.37 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.901 0.381 . . . . 0.0 111.413 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.97 -62.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.581 ' HB ' ' HB3' ' A' ' 43' ' ' CYS . 0.2 OUTLIER -112.23 -177.65 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.864 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 1.9 m . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.581 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 56.5 m . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.88 0.372 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 82.0 m 66.63 144.55 0.09 OUTLIER Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.322 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.881 ' HD2' ' HB2' ' A' ' 48' ' ' PHE . 28.0 Cg_exo -62.14 -141.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.925 2.417 . . . . 0.0 112.668 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.08 -83.74 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.778 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.71 43.33 1.47 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.849 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.881 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . 0.7 OUTLIER -93.2 137.32 32.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.697 0.284 . . . . 0.0 110.293 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 1.1 m -102.53 131.98 48.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.274 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.632 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -85.1 127.42 34.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.141 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -84.5 134.23 34.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.894 179.452 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -49.15 -25.38 2.15 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.415 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 12.8 tt0 -52.98 -36.03 59.77 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.158 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -173.31 36.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.672 0.273 . . . . 0.0 110.859 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.632 ' HA2' ' HB2' ' A' ' 50' ' ' CYS . . . 53.08 46.99 61.3 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.239 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.539 ' C ' ' HA ' ' A' ' 50' ' ' CYS . 6.6 m -83.79 103.57 13.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 111.405 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 49' ' ' THR . 14.9 m -84.01 120.74 26.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -138.67 164.17 30.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.619 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -46.61 119.71 2.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.014 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.09 -175.89 0.13 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.894 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 pp -80.31 153.44 28.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.125 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.752 0.31 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.444 HG13 ' HB3' ' A' ' 18' ' ' CYS . 21.8 t -100.12 115.52 41.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.62 135.28 52.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.7 m -140.67 118.31 11.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.74 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 61.8 167.83 0.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.954 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 mtm -92.8 56.33 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -171.67 -8.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.62 HG11 ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -125.03 134.82 65.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.22 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.6 t -135.79 99.01 4.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.075 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.413 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 2.9 m -106.18 91.02 5.13 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.294 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -78.96 -154.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.666 2.244 . . . . 0.0 112.897 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -56.46 133.11 52.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.464 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.96 -11.73 59.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.247 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 54.6 m-85 -104.46 153.49 21.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.011 0.434 . . . . 0.0 111.257 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.557 HG22 ' HB3' ' A' ' 29' ' ' CYS . 10.6 t -121.63 140.32 52.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.84 178.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.444 ' HB3' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -103.68 110.82 23.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.603 -179.394 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 0.6 OUTLIER -148.45 142.36 25.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.374 -179.735 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.511 ' HE ' ' HA ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -57.13 152.86 12.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.788 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -108.36 -78.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.642 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -107.35 29.85 6.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.381 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.511 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 8.2 t 63.65 10.5 5.07 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.42 -11.36 9.7 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.306 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -167.83 161.35 13.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.864 0.364 . . . . 0.0 111.425 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.473 ' CE3' ' HG2' ' A' ' 20' ' ' ARG . 90.6 m95 -89.69 163.45 15.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.699 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.66 144.78 16.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.676 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.62 ' SG ' HG11 ' A' ' 10' ' ' VAL . 86.4 m -108.71 108.65 19.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 111.045 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.557 ' HB3' HG22 ' A' ' 17' ' ' THR . 0.5 OUTLIER -103.89 117.9 58.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.231 179.428 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 76.3 Cg_endo -78.67 69.84 7.6 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.097 2.531 . . . . 0.0 113.26 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -161.88 179.91 7.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.096 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.6 t -83.21 -175.29 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.739 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 56.41 -160.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.83 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.64 115.67 6.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 0.0 111.397 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 36' ' ' CYS . 41.2 t -128.27 138.53 54.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.69 0.281 . . . . 0.0 110.739 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.421 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 84.9 m 63.28 157.33 0.12 Allowed Pre-proline 0 CA--C 1.529 0.15 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.168 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.546 ' HG2' ' CG ' ' A' ' 48' ' ' PHE . 13.3 Cg_endo -57.19 -178.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.443 2.096 . . . . 0.0 112.172 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.6 128.28 35.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.033 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.8 -20.52 49.44 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.93 -0.652 . . . . 0.0 113.287 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.551 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 0.6 OUTLIER -83.46 110.11 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.085 0.469 . . . . 0.0 111.334 -179.093 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.615 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 2.2 m -104.74 143.87 32.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.388 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 0.8 OUTLIER -84.03 130.26 34.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.054 0.454 . . . . 0.0 110.999 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.741 ' HB2' ' HB ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -83.35 136.21 34.43 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.129 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.1 t -74.06 47.38 0.27 Allowed 'General case' 0 C--O 1.232 0.155 0 O-C-N 124.074 0.859 . . . . 0.0 111.779 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HG2' ' HB3' ' A' ' 51' ' ' ASP . 5.1 pt20 -132.26 -27.98 1.74 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.127 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -174.07 32.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.837 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.08 51.03 52.93 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.741 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 1.4 m -84.23 103.8 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.615 ' HA ' ' O ' ' A' ' 49' ' ' THR . 2.8 m -85.36 120.31 26.7 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.551 ' O ' ' HA ' ' A' ' 48' ' ' PHE . 19.6 mt-10 -142.25 156.02 45.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.08 0.467 . . . . 0.0 112.035 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -54.31 111.74 0.84 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.165 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.7 mttt 64.85 -73.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.698 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 6.0 mp -57.02 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.913 0.387 . . . . 0.0 111.502 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 61' ' ' LEU . . . . . . . . 0 C--N 1.334 -0.1 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.987 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.23 0 CA-C-O 121.038 0.446 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 21.2 t -93.6 101.25 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -95.09 100.02 11.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.36 123.39 29.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.63 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 t0 61.66 14.57 6.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.047 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.9 mtt 51.69 39.03 24.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.975 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -139.73 -24.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.737 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.447 ' CG2' ' HB2' ' A' ' 26' ' ' TRP . 86.8 t -117.94 142.85 30.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.739 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.8 t -113.1 96.08 5.74 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.432 ' SG ' HG12 ' A' ' 10' ' ' VAL . 62.5 m -113.36 84.77 7.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -66.92 -165.33 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.702 2.268 . . . . 0.0 113.171 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -50.12 132.54 23.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.345 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 84.64 0.76 89.26 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.716 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 92.6 m-85 -116.47 153.07 32.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.161 0.505 . . . . 0.0 111.469 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.533 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 98.2 m -121.88 134.77 54.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.189 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 19.8 p -104.05 105.08 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.073 0.463 . . . . 0.0 111.056 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.07 139.39 44.71 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.281 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.469 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 0.8 OUTLIER -53.94 159.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.363 179.116 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.91 -26.18 7.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.404 0.621 . . . . 0.0 109.64 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.512 ' O ' ' HB2' ' A' ' 23' ' ' SER . 3.9 tt0 -172.09 -46.99 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.541 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.512 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 0.2 OUTLIER 170.25 -32.01 0.0 OUTLIER 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.144 179.802 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.76 -51.5 28.45 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.683 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -166.59 -165.99 0.81 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.784 0.326 . . . . 0.0 110.947 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.469 ' CE3' ' HG2' ' A' ' 20' ' ' ARG . 38.5 m95 -106.41 156.45 18.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -116.82 154.65 16.65 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.219 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 17' ' ' THR . 85.6 m -104.64 116.91 32.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.834 0.349 . . . . 0.0 111.362 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 1.3 t -103.53 114.16 65.05 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.734 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 87.3 Cg_endo -74.07 72.81 3.92 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.24 2.626 . . . . 0.0 113.211 -178.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.503 ' HZ ' HG12 ' A' ' 35' ' ' VAL . 1.3 p90 -165.88 -170.26 1.72 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.573 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.503 ' HG1' ' HZ3' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -65.65 -158.79 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.872 179.417 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.0 -165.51 1.03 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.632 0.253 . . . . 0.0 111.259 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 69.61 86.05 0.13 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.603 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.503 HG12 ' HZ ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -160.88 -177.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.867 179.567 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.185 -179.64 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.45 ' O ' HG11 ' A' ' 35' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.606 0.241 . . . . 0.0 111.15 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 96.7 m 64.01 142.53 0.07 OUTLIER Pre-proline 0 N--CA 1.463 0.208 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.308 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -56.78 163.76 6.85 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.511 2.14 . . . . 0.0 112.184 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.55 121.74 15.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.323 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.58 -22.72 14.54 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.784 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.528 ' HD1' ' N ' ' A' ' 59' ' ' GLN . 7.0 m-85 -114.83 159.12 21.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.108 0.48 . . . . 0.0 111.68 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.553 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 9.3 t -132.52 172.82 12.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.403 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 115.25 22.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.939 0.399 . . . . 0.0 110.449 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -110.35 168.38 9.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.28 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.416 ' C ' ' H ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER 62.94 10.49 4.41 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.492 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.17 6.46 0.71 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.243 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -97.51 -38.51 9.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.361 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.29 33.48 0.53 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.566 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.08 111.81 20.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.697 0.284 . . . . 0.0 110.748 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.553 ' HA ' ' O ' ' A' ' 49' ' ' THR . 14.2 m -83.66 103.47 13.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.073 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.434 ' C ' ' HD1' ' A' ' 48' ' ' PHE . 19.1 mt-10 -134.62 164.66 27.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.193 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.528 ' N ' ' HD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -73.84 65.44 1.04 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.849 -179.556 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.503 ' HZ3' ' HG1' ' A' ' 32' ' ' THR . 6.1 mmtm 48.66 84.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.124 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.07 -6.33 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.31 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.423 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.592 0.234 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 3.7 t -104.02 127.56 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.954 0.407 . . . . 0.0 111.379 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -126.22 133.68 51.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.344 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 -12.08 15.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.334 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -167.73 174.77 7.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.834 0.349 . . . . 0.0 110.977 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttm -84.86 46.31 1.25 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.85 -12.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.996 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.421 HG21 ' HB2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -104.72 165.59 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.045 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.3 p -158.52 84.85 0.84 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.469 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 40.0 m -103.41 93.84 5.26 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.845 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.24 -164.93 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.437 2.091 . . . . 0.0 112.815 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.83 131.28 35.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.435 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 89.33 -5.2 84.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.72 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -111.77 158.14 19.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.138 0.494 . . . . 0.0 111.31 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 4.2 m -129.46 145.43 51.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.804 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 28.1 p -103.7 109.24 20.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.135 0.493 . . . . 0.0 110.826 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.37 131.75 45.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.173 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -54.25 155.35 3.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.638 -179.715 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.7 mt -139.65 105.47 5.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.061 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 63.23 19.4 11.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.414 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.42 6.35 1.91 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.778 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.48 -28.04 41.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.048 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.57 -166.92 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.443 ' CE3' ' HG2' ' A' ' 20' ' ' ARG . 71.0 m95 -110.84 162.81 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.702 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -131.26 156.64 21.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.376 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 17' ' ' THR . 84.7 m -105.34 109.5 21.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.893 0.378 . . . . 0.0 111.242 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.528 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -104.23 124.61 36.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.253 179.498 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 91.9 Cg_endo -77.26 66.69 7.82 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.897 2.398 . . . . 0.0 112.954 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.528 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -163.08 173.31 13.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.988 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.2 t -82.24 159.64 23.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.074 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 60.55 -169.24 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -125.72 177.82 6.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.011 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.528 HG22 ' HB3' ' A' ' 43' ' ' CYS . 13.6 t -144.05 -66.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.0 m . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.26 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.528 ' HB3' HG22 ' A' ' 35' ' ' VAL . 34.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.47 ' SG ' HG21 ' A' ' 35' ' ' VAL . 6.0 m -56.86 141.07 75.64 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.807 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 44' ' ' CYS . 2.7 Cg_exo -75.48 31.78 0.38 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.811 2.341 . . . . 0.0 112.274 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' A' ' 44' ' ' CYS . . . 66.47 125.34 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.56 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.1 -18.99 25.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.536 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -119.91 169.85 9.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.581 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 26.3 p -126.08 136.0 52.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.433 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 56' ' ' THR . 9.2 t -84.22 102.96 13.02 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.106 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.495 ' HB2' ' HA ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -82.29 123.47 29.09 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.006 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.1 p -55.37 -28.28 52.88 Favored 'General case' 0 CA--C 1.522 -0.127 0 O-C-N 123.935 0.772 . . . . 0.0 112.048 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . 5.3 tt0 -51.69 -28.21 14.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.6 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.21 17.97 0.56 Allowed 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.91 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . 42.5 47.14 5.78 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.501 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 5.5 t -122.25 138.21 54.57 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.581 ' HA ' ' O ' ' A' ' 49' ' ' THR . 40.6 m -95.46 115.13 27.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.52 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -135.74 173.4 11.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.0 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 84.77 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.654 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.41 -164.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.957 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.85 66.9 0.86 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.565 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.495 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.693 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.749 ' HB3' ' HA ' ' A' ' 13' ' ' PRO . 15.5 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.443 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 4.1 t -91.02 87.57 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.202 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -93.58 108.64 20.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.736 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -18.08 60.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.003 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -155.26 -164.78 1.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.6 ptm -104.49 40.95 1.38 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -159.01 -29.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -103.05 133.37 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.792 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.6 t -123.2 97.21 5.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.976 0.417 . . . . 0.0 111.706 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 23.3 m -106.41 93.6 8.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.532 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.749 ' HA ' ' HB3' ' A' ' 3' ' ' ASP . 97.7 Cg_endo -76.05 -158.87 0.09 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.47 2.113 . . . . 0.0 112.882 -178.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -54.45 132.6 44.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.527 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.34 -14.42 57.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.61 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.49 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 60.3 m-85 -103.33 153.13 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.098 0.475 . . . . 0.0 111.712 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 5.6 t -128.3 149.91 50.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.954 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 8.7 p -104.4 114.1 28.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.004 0.431 . . . . 0.0 111.338 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 m -134.21 131.69 38.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.527 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 1.0 OUTLIER -54.42 143.2 24.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.909 0.385 . . . . 0.0 110.808 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 mt -104.43 -97.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.395 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.26 35.11 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.18 0.514 . . . . 0.0 109.707 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 54.81 17.05 1.62 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.111 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.53 -13.59 20.21 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.39 -172.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.443 -0.378 . . . . 0.0 110.174 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.401 ' CE3' ' HG2' ' A' ' 20' ' ' ARG . 72.3 m95 -110.4 159.98 16.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 110.982 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -123.07 150.39 16.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.574 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 17' ' ' THR . 96.0 m -104.77 110.53 22.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -105.51 122.06 44.03 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.477 179.609 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -78.88 53.84 4.86 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.825 2.35 . . . . 0.0 111.952 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.437 ' HB2' HG21 ' A' ' 35' ' ' VAL . 4.9 p90 -65.61 168.89 6.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.528 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.0 t -139.19 19.11 2.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.995 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -177.18 -66.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.226 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.96 108.22 0.07 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.054 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.437 HG21 ' HB2' ' A' ' 31' ' ' PHE . 2.0 t -124.53 -37.94 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.246 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.279 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 44' ' ' CYS . 57.7 m . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 120.61 0.243 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 55.5 m 67.77 160.73 0.14 Allowed Pre-proline 0 N--CA 1.463 0.205 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.352 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -44.2 160.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.984 2.456 . . . . 0.0 112.947 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.95 154.23 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.546 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.65 -19.33 41.43 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.549 ' N ' ' HD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -84.2 177.48 8.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.078 0.466 . . . . 0.0 110.797 -179.495 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.526 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 54.5 m -158.9 130.22 6.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.812 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.9 110.79 18.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.199 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.432 ' OD1' ' HA ' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -83.42 124.33 30.57 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.562 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -14.07 2.72 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.957 0.786 . . . . 0.0 111.244 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -31.21 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.928 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -171.79 31.78 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.477 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.43 47.95 22.09 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.371 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.48 122.07 43.61 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 49' ' ' THR . 27.4 p -87.23 129.91 34.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.907 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.531 ' O ' ' HA ' ' A' ' 48' ' ' PHE . 3.6 pt-20 -143.49 132.56 22.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.288 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -59.96 79.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.84 -179.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 175.53 -91.82 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 mt -164.48 178.96 7.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.714 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.432 ' HA ' ' OD1' ' A' ' 51' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.018 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.892 0.377 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 5.1 t -127.69 134.67 64.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.1 -160.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.53 -65.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.679 0.276 . . . . 0.0 111.175 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.4 ' HB2' ' NE1' ' A' ' 26' ' ' TRP . 1.9 t0 -113.09 30.58 7.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.021 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 mtt 54.18 35.24 22.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.07 -47.87 0.66 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.596 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.556 HG23 ' SG ' ' A' ' 28' ' ' CYS . 2.7 p -89.64 156.44 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.679 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.501 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.8 m -129.94 88.11 2.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.017 0.436 . . . . 0.0 111.46 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.422 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 60.1 m -95.29 100.31 5.69 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.462 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.501 ' HD3' ' O ' ' A' ' 11' ' ' SER . 97.1 Cg_endo -78.62 -154.13 0.05 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.382 2.054 . . . . 0.0 113.168 -178.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -54.53 123.95 14.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.786 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 89.91 -20.28 36.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.1 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.544 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 24.9 m-85 -93.3 151.4 19.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.155 0.502 . . . . 0.0 111.792 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.535 HG23 ' HB2' ' A' ' 29' ' ' CYS . 6.1 t -130.75 158.57 39.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.359 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 31.9 p -104.68 114.68 29.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.111 0.482 . . . . 0.0 111.503 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.47 127.39 37.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.359 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 143.41 19.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.313 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.503 ' C ' ' H ' ' A' ' 23' ' ' SER . 25.3 mt -115.71 7.04 14.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.683 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.61 ' C ' ' H ' ' A' ' 24' ' ' GLY . 3.8 mp0 70.43 -17.57 0.27 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.635 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.503 ' H ' ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -73.54 26.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.203 0.525 . . . . 0.0 109.722 179.538 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.61 ' H ' ' C ' ' A' ' 22' ' ' GLN . . . 70.16 10.87 66.35 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.194 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.63 178.89 7.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.758 0.314 . . . . 0.0 111.085 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.4 ' NE1' ' HB2' ' A' ' 7' ' ' ASP . 71.8 m95 -107.59 165.06 11.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -126.61 155.31 19.51 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.562 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 10' ' ' VAL . 34.3 m -105.46 119.17 38.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.902 0.382 . . . . 0.0 111.256 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 1.3 m -111.46 111.6 54.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.378 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.508 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 57.9 Cg_endo -85.01 62.48 6.09 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.131 2.554 . . . . 0.0 112.359 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -115.18 -161.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.415 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.2 p -122.7 57.53 1.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.33 . . . . 0.0 111.273 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 64.82 125.87 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.6 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -171.17 -151.18 0.07 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.618 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.534 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 11.6 t -116.86 138.6 46.96 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 CA-C-O 120.68 0.276 . . . . 0.0 111.362 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.889 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.166 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.57 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.758 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.2 m . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.69 0.281 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.889 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -137.87 134.94 18.35 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.873 179.782 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.99 162.39 41.9 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.413 2.075 . . . . 0.0 112.081 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.39 -170.7 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.204 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.3 50.5 4.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.671 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 9.3 m-30 -90.62 138.48 31.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.082 0.468 . . . . 0.0 111.694 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.629 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -131.37 165.53 23.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.732 178.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 96.2 m -83.25 131.46 35.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.945 0.402 . . . . 0.0 110.796 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.702 ' HB2' ' HB ' ' A' ' 56' ' ' THR . 1.2 m-20 -120.84 172.88 7.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.992 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.17 14.36 5.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.095 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.89 7.44 1.13 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.351 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -104.45 -68.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.985 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.14 38.15 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.648 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.702 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 32.4 m -84.85 104.03 14.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.774 0.321 . . . . 0.0 110.632 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 49' ' ' THR . 0.6 OUTLIER -83.45 114.84 21.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.369 -179.358 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 48' ' ' PHE . 2.3 pt-20 -151.29 169.78 21.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.811 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 98.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.421 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp 55.05 -160.19 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.492 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 67.02 147.44 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.467 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.818 179.82 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.685 ' HB2' ' HA ' ' A' ' 13' ' ' PRO . 5.7 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.718 0.294 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 3.5 t -76.42 91.65 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 110.706 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -94.68 128.91 41.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.451 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.443 ' HB2' HG12 ' A' ' 10' ' ' VAL . 1.6 m -118.31 120.18 36.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.983 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.22 -159.63 0.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.372 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.93 44.74 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.69 0.281 . . . . 0.0 111.166 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.15 22.61 0.11 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.258 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.443 HG12 ' HB2' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -148.1 159.44 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.975 179.795 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 t -151.91 90.79 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.44 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 3.2 m -105.09 93.32 6.35 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.403 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.685 ' HA ' ' HB2' ' A' ' 3' ' ' ASP . 84.9 Cg_endo -78.18 -163.45 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.569 2.179 . . . . 0.0 112.974 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.98 130.29 33.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.562 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.503 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 89.91 -1.1 80.26 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.589 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -114.09 155.56 25.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.085 0.469 . . . . 0.0 111.72 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 29' ' ' CYS . 14.7 t -121.68 146.83 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.002 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.8 111.84 24.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.893 0.378 . . . . 0.0 111.571 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -136.94 138.68 40.87 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.671 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 1.1 mmt85 -62.65 153.18 33.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.258 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.3 mt -105.99 -98.46 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.679 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -93.96 32.42 1.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 110.126 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.35 9.66 3.44 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.72 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.1 -15.14 16.93 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.153 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -169.0 179.73 3.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.748 0.309 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.531 ' CZ3' ' HG2' ' A' ' 20' ' ' ARG . 96.1 m95 -104.9 166.13 10.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.799 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.43 144.42 15.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.891 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 17' ' ' THR . 56.7 m -104.75 121.59 43.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.591 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 17' ' ' THR . 34.5 t -123.01 126.54 25.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.369 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.503 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 91.2 Cg_endo -78.68 52.23 4.11 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.656 2.237 . . . . 0.0 111.921 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.447 ' CE1' ' HB ' ' A' ' 17' ' ' THR . 0.8 OUTLIER -64.29 171.91 2.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.521 -179.509 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.4 p -139.61 62.2 1.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.927 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 61.17 48.98 5.84 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.366 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -141.99 -78.19 0.26 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.768 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.701 ' HB ' ' HB3' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -112.2 -172.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.936 -179.068 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.93 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.701 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 66.5 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.738 0.304 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 57' ' ' CYS . 0.4 OUTLIER 58.64 101.22 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.011 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.41 55.58 4.74 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.632 2.221 . . . . 0.0 112.589 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.6 147.53 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.57 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.61 -21.36 33.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.521 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.48 ' HD1' ' N ' ' A' ' 59' ' ' GLN . 1.3 m-85 -126.9 162.19 26.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.928 0.394 . . . . 0.0 111.358 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.563 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -137.28 169.56 17.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.817 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.456 ' HB3' ' CA ' ' A' ' 55' ' ' GLY . 59.9 m -83.96 115.98 22.58 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.601 0.563 . . . . 0.0 110.691 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.576 ' O ' ' HB ' ' A' ' 52' ' ' THR . 15.7 t0 179.87 -172.35 0.19 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.995 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.576 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER 101.99 -35.45 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 124.43 1.081 . . . . 0.0 111.426 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.424 ' N ' HG23 ' A' ' 52' ' ' THR . 0.1 OUTLIER -178.44 -2.57 0.01 OUTLIER 'General case' 0 C--O 1.232 0.133 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.644 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -169.53 -44.84 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.219 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.456 ' CA ' ' HB3' ' A' ' 50' ' ' CYS . . . 153.7 45.25 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.058 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.6 p -84.44 138.79 32.62 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 49' ' ' THR . 15.7 m -82.74 104.73 13.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.853 0.359 . . . . 0.0 111.161 -179.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.463 ' C ' ' HB3' ' A' ' 48' ' ' PHE . 5.8 mm-40 -135.16 162.83 31.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.211 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.48 ' N ' ' HD1' ' A' ' 48' ' ' PHE . 5.8 tt0 -78.89 50.61 1.03 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.078 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.406 ' HG3' HD23 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -176.75 172.35 2.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.061 179.728 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.406 HD23 ' HG3' ' A' ' 60' ' ' LYS . 2.4 mm? 61.6 171.26 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.665 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.856 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.811 0.339 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.23 142.73 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.53 122.5 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.797 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -21.49 17.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.295 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.11 177.6 11.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.157 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ttm -86.67 41.0 0.93 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.994 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -160.7 -22.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 p -96.55 156.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.462 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 4.5 p -148.64 86.18 1.52 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.003 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.5 m -100.32 97.58 6.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.05 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 11' ' ' SER . 86.6 Cg_endo -78.74 -165.06 0.31 Allowed 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.515 2.143 . . . . 0.0 112.869 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -49.84 124.6 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.004 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.4 3.8 71.64 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.801 -0.636 . . . . 0.0 113.327 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 85.8 m-85 -119.58 156.24 30.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.075 0.464 . . . . 0.0 111.79 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 6.9 t -129.58 153.7 47.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.051 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 21.0 p -104.27 123.48 47.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.914 0.387 . . . . 0.0 111.356 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -141.54 132.69 26.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.42 155.08 22.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.743 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.6 mt -123.35 -96.43 0.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.6 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.441 ' H ' ' HG2' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -96.35 27.91 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.125 0.488 . . . . 0.0 110.109 179.308 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.23 0.17 1.61 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.201 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.0 -31.06 49.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.729 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.89 177.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.625 -0.287 . . . . 0.0 110.563 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -90.92 161.75 15.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.954 0.407 . . . . 0.0 110.807 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -125.84 150.4 17.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 17' ' ' THR . 71.2 m -106.62 113.58 27.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.942 0.401 . . . . 0.0 111.211 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -104.58 127.06 29.75 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.194 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.445 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 49.7 Cg_endo -72.53 34.54 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.538 2.159 . . . . 0.0 113.164 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.466 ' H ' ' C ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER 60.12 155.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.861 178.571 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.418 ' C ' ' H ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -176.24 28.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.492 179.318 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 63.17 2.89 1.17 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.192 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.418 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -178.75 175.82 1.02 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.652 HG13 ' H ' ' A' ' 36' ' ' CYS . 42.4 t 65.08 154.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.198 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.652 ' H ' HG13 ' A' ' 35' ' ' VAL . 1.6 p . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.029 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.445 ' SG ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.004 0.431 . . . . 0.0 110.163 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.605 ' SG ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER 53.28 83.12 0.23 Allowed Pre-proline 0 C--O 1.232 0.141 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.501 -179.18 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.58 ' HG2' ' HE2' ' A' ' 48' ' ' PHE . 61.4 Cg_endo -73.3 69.33 4.1 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.926 2.417 . . . . 0.0 113.215 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.93 147.74 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.207 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.8 -23.59 7.53 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.99 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.58 ' HE2' ' HG2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -119.27 -178.12 3.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.212 0.529 . . . . 0.0 111.199 -179.496 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.546 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -164.27 163.44 22.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.246 179.631 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.572 ' HB3' ' HA2' ' A' ' 55' ' ' GLY . 3.1 m -83.95 113.23 20.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.076 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -128.33 -173.92 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.259 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.584 ' HG1' ' HB2' ' A' ' 54' ' ' LYS . 1.4 p 64.5 17.14 10.68 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.507 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.63 11.9 0.98 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.457 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.584 ' HB2' ' HG1' ' A' ' 52' ' ' THR . 0.0 OUTLIER -113.66 -10.57 13.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.7 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.572 ' HA2' ' HB3' ' A' ' 50' ' ' CYS . . . 84.95 35.74 12.31 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.278 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.47 116.8 24.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.631 0.253 . . . . 0.0 110.954 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 49' ' ' THR . 55.8 m -83.31 109.25 17.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.008 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -138.2 156.59 47.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 179.794 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.547 ' O ' ' HB3' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -75.25 37.12 0.12 Allowed 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.294 -179.57 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.547 ' HB3' ' O ' ' A' ' 59' ' ' GLN . 2.2 ptpt 169.3 -169.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.531 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.77 129.18 55.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.658 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.171 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.035 -179.833 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' H3 ' ' H ' ' A' ' 2' ' ' MET . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.701 0.286 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.416 ' H ' ' H3 ' ' A' ' 1' ' ' ALA . 7.6 ptt? -118.8 27.01 9.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.889 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -70.71 -42.12 71.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.814 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.571 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 7.4 t -125.68 143.38 39.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.463 ' HE3' ' O ' ' A' ' 10' ' ' VAL . 6.4 mttp -147.05 142.4 27.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.755 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -29.81 13.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.666 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.18 -171.79 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.717 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 mtt -92.75 46.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.93 -1.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.193 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.463 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -123.6 166.2 18.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.138 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.3 p -151.35 88.88 1.46 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.298 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.571 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -122.23 92.63 48.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.142 179.515 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.419 ' O ' ' HB2' ' A' ' 16' ' ' TYR . 91.7 Cg_endo -75.48 -156.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.981 2.454 . . . . 0.0 113.401 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.4 140.51 22.02 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.44 -11.71 62.86 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.669 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.515 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 87.2 m-85 -105.16 154.89 19.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.016 0.436 . . . . 0.0 111.206 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.642 HG21 ' N ' ' A' ' 18' ' ' CYS . 8.4 m -122.45 149.15 44.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.279 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.642 ' N ' HG21 ' A' ' 17' ' ' THR . 67.1 m -103.81 108.93 20.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.833 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 t -125.23 130.55 52.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 145.62 41.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.224 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.7 177.9 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.399 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.573 ' C ' ' H ' ' A' ' 24' ' ' GLY . 7.3 pt20 -84.57 -5.25 59.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.168 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.24 25.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.821 0.343 . . . . 0.0 110.34 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.573 ' H ' ' C ' ' A' ' 22' ' ' GLN . . . 51.85 32.67 34.06 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.578 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -161.65 -172.7 3.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 111.261 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -101.53 171.24 7.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -131.19 140.6 11.92 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.535 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.514 ' HB3' ' HB3' ' A' ' 12' ' ' CYS . 28.2 m -104.47 116.13 31.56 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.515 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -105.34 106.5 56.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.575 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 87.3 Cg_endo -78.8 65.37 8.76 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.967 2.445 . . . . 0.0 112.917 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.673 ' HZ ' ' HA ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -156.37 173.22 17.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.074 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.67 92.33 3.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.414 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.01 -157.28 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.56 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.17 95.21 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.893 0.377 . . . . 0.0 110.53 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.673 ' HA ' ' HZ ' ' A' ' 31' ' ' PHE . 24.2 m -67.82 133.38 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.823 -179.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.46 ' HB2' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 47.62 44.07 16.91 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.309 179.815 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.403 ' HB2' ' HB3' ' A' ' 50' ' ' CYS . 16.3 t -162.37 164.07 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.998 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 57.17 -167.97 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.259 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.447 ' HB3' ' H ' ' A' ' 40' ' ' HIS . 0.3 OUTLIER -92.29 -140.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.712 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.447 ' H ' ' HB3' ' A' ' 39' ' ' ASP . 0.1 OUTLIER 62.86 -95.31 0.05 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.118 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.44 HG13 ' C ' ' A' ' 40' ' ' HIS . 0.3 OUTLIER -135.02 104.97 5.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.411 ' H ' ' ND1' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -105.34 137.17 43.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.804 179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -1.42 12.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.802 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.462 ' C ' ' H ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -97.72 146.81 32.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.542 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.585 ' HD2' ' CE2' ' A' ' 48' ' ' PHE . 15.6 Cg_exo -69.13 34.68 0.19 Allowed 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 122.99 2.46 . . . . 0.0 112.778 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.462 ' H ' ' C ' ' A' ' 44' ' ' CYS . . . 66.29 161.4 0.15 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.097 0.475 . . . . 0.0 111.999 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.54 1.77 83.3 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.417 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.585 ' CE2' ' HD2' ' A' ' 45' ' ' PRO . 7.0 m-85 -123.8 141.21 52.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 111.267 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.665 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -111.14 161.26 16.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.286 179.047 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.844 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 18.0 p -83.22 128.79 34.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.173 0.511 . . . . 0.0 111.233 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.468 ' OD2' ' HG ' ' A' ' 61' ' ' LEU . 3.1 m-20 -122.54 179.96 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.661 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.402 ' H ' HD21 ' A' ' 65' ' ' LEU . 0.9 OUTLIER 63.26 10.95 5.01 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.233 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 57.46 14.05 2.08 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -110.05 -38.0 5.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.681 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.844 ' HA2' ' HB2' ' A' ' 50' ' ' CYS . . . 128.3 40.82 0.29 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.806 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.55 113.14 25.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.73 0.265 . . . . 0.0 110.825 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.665 ' HA ' ' O ' ' A' ' 49' ' ' THR . 1.1 m -84.4 115.82 22.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.874 0.369 . . . . 0.0 111.312 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -156.6 82.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.137 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.404 ' H ' ' HD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 63.24 164.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.525 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.569 ' HA ' ' OG1' ' A' ' 49' ' ' THR . 7.5 ptmm? -61.15 135.58 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.021 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.468 ' HG ' ' OD2' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -141.93 -82.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -166.71 -10.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.409 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 64.3 109.3 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 55.88 72.71 0.47 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.5 HD22 ' H ' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -77.22 121.42 23.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.961 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -119.65 -13.28 9.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.691 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -100.57 -178.32 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -119.33 -59.91 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -88.25 140.27 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.754 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -161.83 148.04 13.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -130.71 110.95 11.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.868 0.366 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.413 ' H ' ' HG2' ' A' ' 2' ' ' MET . 0.6 OUTLIER -101.85 40.57 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.105 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' ' 13' ' ' PRO . 20.3 m-20 -72.37 130.89 41.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.669 179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.7 t -94.25 110.48 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.334 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.588 ' HD2' ' HA ' ' A' ' 8' ' ' MET . 9.0 mtmm -99.58 132.36 44.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.33 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.4 m -123.13 17.38 9.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.365 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.529 ' HB2' ' CD1' ' A' ' 26' ' ' TRP . 20.2 t0 -173.7 13.69 0.01 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.273 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.588 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 3.4 mtt 55.08 33.24 19.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.163 0.506 . . . . 0.0 110.711 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -147.53 -41.44 0.18 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.432 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.422 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 20.0 m -84.75 174.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.617 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.79 100.32 2.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.066 0.46 . . . . 0.0 111.366 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.48 ' HB3' ' HB3' ' A' ' 16' ' ' TYR . 10.1 m -113.51 85.19 8.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.557 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 3' ' ' ASP . 59.1 Cg_endo -69.84 -161.95 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.718 2.279 . . . . 0.0 113.34 -178.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -49.42 134.46 18.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.609 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.539 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 84.48 0.5 89.35 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.392 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.538 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 98.3 m-85 -121.61 165.63 15.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.194 0.521 . . . . 0.0 111.569 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.463 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 2.7 t -143.21 158.99 43.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.499 178.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -104.35 124.15 48.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.309 0.576 . . . . 0.0 111.667 -179.236 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.95 124.87 27.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.045 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.39 153.19 12.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.205 0.526 . . . . 0.0 111.782 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.5 mt -138.08 103.42 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.572 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.27 17.36 6.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.26 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.0 t 63.66 3.51 1.55 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.692 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.16 -20.3 53.14 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.221 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.39 -171.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.696 0.284 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.529 ' CD1' ' HB2' ' A' ' 7' ' ' ASP . 88.2 m95 -115.01 166.17 12.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.703 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -132.83 153.02 20.5 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.754 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 17' ' ' THR . 75.7 m -105.32 110.21 22.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.894 0.378 . . . . 0.0 111.048 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.538 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -104.26 140.66 21.29 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.672 179.186 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.539 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 55.5 Cg_endo -74.66 39.2 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.242 1.962 . . . . 0.0 113.279 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 61.19 145.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.496 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.522 ' HB ' HG21 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -175.56 40.93 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.98 179.453 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 60.86 35.37 19.34 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.019 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.77 92.93 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.474 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.583 HG11 ' H ' ' A' ' 37' ' ' CYS . 86.9 t -115.69 -67.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.069 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 55.95 33.43 21.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.796 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.583 ' H ' HG11 ' A' ' 35' ' ' VAL . 2.1 t -161.23 -79.36 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.738 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.43 142.8 3.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.647 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.43 -56.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.972 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -147.41 -48.86 0.18 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.972 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -117.67 -2.22 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 63.25 165.41 0.12 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.952 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.26 -13.33 13.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.926 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.417 ' C ' ' H ' ' A' ' 46' ' ' ALA . 10.2 m -81.14 156.83 71.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.628 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.62 36.32 0.38 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.803 2.335 . . . . 0.0 112.624 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.417 ' H ' ' C ' ' A' ' 44' ' ' CYS . . . 67.02 127.22 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.61 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.9 -42.3 2.0 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.726 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.4 ' HB3' ' N ' ' A' ' 58' ' ' GLU . 5.3 m-85 -88.18 170.77 10.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 111.232 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.661 HG23 HD23 ' A' ' 61' ' ' LEU . 4.1 t -135.97 177.76 7.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.655 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.59 132.53 34.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.814 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.79 -176.37 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.46 14.38 5.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 58.45 13.56 2.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -117.46 -64.61 1.28 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.7 37.44 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.618 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.454 HG23 ' HG3' ' A' ' 58' ' ' GLU . 49.2 m -84.74 120.82 26.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.659 0.266 . . . . 0.0 110.716 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.617 ' HA ' ' O ' ' A' ' 49' ' ' THR . 92.6 m -84.31 112.08 19.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.957 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.454 ' HG3' HG23 ' A' ' 56' ' ' THR . 3.7 mt-10 -140.03 164.99 28.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.499 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 6.0 mt-30 -51.53 103.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.35 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER 54.76 179.77 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.696 179.639 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.661 HD23 HG23 ' A' ' 49' ' ' THR . 0.0 OUTLIER -83.26 145.08 29.32 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.816 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.27 -62.09 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.353 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.2 -158.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 59.57 -95.92 0.06 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.348 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 tp 62.57 170.6 0.14 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.971 0.415 . . . . 0.0 111.085 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -82.29 163.67 21.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -164.37 32.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.9 17.72 19.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -127.58 166.69 17.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.76 168.94 19.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -120.74 -4.51 9.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.5 m80 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.869 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.766 0.317 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 55.55 84.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.02 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -96.71 144.51 26.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 t -84.22 119.7 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.06 130.15 55.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.625 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.85 -44.92 3.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.197 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -135.88 179.08 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.33 . . . . 0.0 110.999 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.18 38.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -161.06 -35.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.41 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.1 t -89.7 129.69 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.718 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.476 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -131.75 95.76 3.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.504 -179.555 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.587 ' HB3' ' HB3' ' A' ' 16' ' ' TYR . 17.8 m -100.59 97.53 6.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.524 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HD3' ' O ' ' A' ' 11' ' ' SER . 92.7 Cg_endo -80.61 -156.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.551 2.167 . . . . 0.0 113.449 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.31 128.37 19.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.952 -179.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 81.22 8.01 87.76 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.824 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.587 ' HB3' ' HB3' ' A' ' 12' ' ' CYS . 92.9 m-85 -121.63 155.68 34.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.072 0.463 . . . . 0.0 111.306 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.526 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 98.0 m -127.07 138.48 53.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.234 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.416 ' N ' HG23 ' A' ' 17' ' ' THR . 13.7 p -103.8 114.22 28.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.212 0.53 . . . . 0.0 110.495 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -149.49 139.36 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.259 -179.184 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.515 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 15.2 mmt180 -53.15 147.58 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.5 mt -105.31 -87.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.558 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.39 28.16 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.324 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.48 9.19 4.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.117 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.16 -14.78 15.79 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.028 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -169.22 177.93 4.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.746 0.308 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.515 ' CZ3' ' HG2' ' A' ' 20' ' ' ARG . 71.7 m95 -101.38 159.28 15.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -134.19 156.0 22.15 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.545 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 17' ' ' THR . 99.3 m -105.1 113.78 27.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 t -104.41 119.41 53.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.853 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.52 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 95.3 Cg_endo -74.52 66.79 5.55 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.866 2.377 . . . . 0.0 112.548 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.447 ' HZ ' ' H ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -161.98 -171.2 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.072 -179.747 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.22 129.95 34.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.51 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -46.33 111.46 0.37 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.901 0.381 . . . . 0.0 111.413 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.97 -62.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.581 ' HB ' ' HB3' ' A' ' 43' ' ' CYS . 0.2 OUTLIER -112.23 -177.65 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.864 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 1.9 m -147.99 -74.84 0.19 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.933 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.566 ' SG ' HG13 ' A' ' 35' ' ' VAL . 0.0 OUTLIER 46.38 -151.97 0.07 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.464 179.696 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -80.33 -168.2 1.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.17 109.16 9.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.825 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.48 -35.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.471 ' O ' HD11 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -165.23 -30.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.295 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -169.26 169.66 9.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.999 0.428 . . . . 0.0 111.308 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.581 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 56.5 m -94.87 72.14 3.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.364 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 82.0 m 66.63 144.55 0.09 OUTLIER Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.322 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.881 ' HD2' ' HB2' ' A' ' 48' ' ' PHE . 28.0 Cg_exo -62.14 -141.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.925 2.417 . . . . 0.0 112.668 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.08 -83.74 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.778 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.71 43.33 1.47 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.849 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.881 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . 0.7 OUTLIER -93.2 137.32 32.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.697 0.284 . . . . 0.0 110.293 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 1.1 m -102.53 131.98 48.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.274 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.632 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -85.1 127.42 34.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.141 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.44 ' HB2' ' H ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -84.5 134.23 34.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.894 179.452 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.582 HG21 ' HB1' ' A' ' 64' ' ' ALA . 8.8 t -49.15 -25.38 2.15 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 12.8 tt0 -52.98 -36.03 59.77 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.158 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -173.31 36.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.672 0.273 . . . . 0.0 110.859 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.632 ' HA2' ' HB2' ' A' ' 50' ' ' CYS . . . 53.08 46.99 61.3 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.239 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.539 ' C ' ' HA ' ' A' ' 50' ' ' CYS . 6.6 m -83.79 103.57 13.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 111.405 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 49' ' ' THR . 14.9 m -84.01 120.74 26.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -138.67 164.17 30.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.619 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -46.61 119.71 2.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.014 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.09 -175.89 0.13 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.894 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 pp -80.31 153.44 28.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.125 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.57 8.52 8.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 57.15 30.26 18.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.286 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.582 ' HB1' HG21 ' A' ' 52' ' ' THR . . . 61.05 105.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.411 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.44 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 9.1 mt -64.5 143.51 57.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -135.44 146.56 48.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 61.87 103.68 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.209 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -80.0 143.23 34.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.753 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -81.77 141.52 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.06 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -107.39 -148.11 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.449 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.9 129.84 46.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.825 0.345 . . . . 0.0 110.939 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.4 m80 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.884 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.755 0.312 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -131.23 125.87 34.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.88 158.84 36.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.444 HG13 ' HB3' ' A' ' 18' ' ' CYS . 21.8 t -100.12 115.52 41.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.62 135.28 52.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.7 m -140.67 118.31 11.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.74 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 61.8 167.83 0.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.954 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 mtm -92.8 56.33 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -171.67 -8.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.62 HG11 ' SG ' ' A' ' 28' ' ' CYS . 0.2 OUTLIER -125.03 134.82 65.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.22 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.6 t -135.79 99.01 4.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.075 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.413 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 2.9 m -106.18 91.02 5.13 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.294 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -78.96 -154.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.666 2.244 . . . . 0.0 112.897 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -56.46 133.11 52.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.464 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 84.96 -11.73 59.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.247 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 54.6 m-85 -104.46 153.49 21.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.011 0.434 . . . . 0.0 111.257 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.557 HG22 ' HB3' ' A' ' 29' ' ' CYS . 10.6 t -121.63 140.32 52.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.84 178.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.444 ' HB3' HG13 ' A' ' 4' ' ' VAL . 0.0 OUTLIER -103.68 110.82 23.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.603 -179.394 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 0.6 OUTLIER -148.45 142.36 25.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.374 -179.735 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.511 ' HE ' ' HA ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -57.13 152.86 12.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.788 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -108.36 -78.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.642 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -107.35 29.85 6.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.381 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.511 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 8.2 t 63.65 10.5 5.07 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.42 -11.36 9.7 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.306 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -167.83 161.35 13.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.864 0.364 . . . . 0.0 111.425 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.473 ' CE3' ' HG2' ' A' ' 20' ' ' ARG . 90.6 m95 -89.69 163.45 15.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.699 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.66 144.78 16.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.676 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.62 ' SG ' HG11 ' A' ' 10' ' ' VAL . 86.4 m -108.71 108.65 19.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 111.045 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.557 ' HB3' HG22 ' A' ' 17' ' ' THR . 0.5 OUTLIER -103.89 117.9 58.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.231 179.428 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.404 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 76.3 Cg_endo -78.67 69.84 7.6 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.097 2.531 . . . . 0.0 113.26 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -161.88 179.91 7.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.096 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.6 t -83.21 -175.29 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.739 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 56.41 -160.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.83 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.64 115.67 6.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 0.0 111.397 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 36' ' ' CYS . 41.2 t -128.27 138.53 54.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -174.84 39.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.675 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.36 168.66 5.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.233 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.13 168.39 12.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 55.58 -161.99 0.16 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.97 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 57.21 -168.13 0.12 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.3 tp -143.01 -20.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.795 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -112.79 165.97 11.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.845 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 27.3 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.739 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.421 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 84.9 m 63.28 157.33 0.12 Allowed Pre-proline 0 CA--C 1.529 0.15 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.168 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.546 ' HG2' ' CG ' ' A' ' 48' ' ' PHE . 13.3 Cg_endo -57.19 -178.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.443 2.096 . . . . 0.0 112.172 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.6 128.28 35.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.033 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.8 -20.52 49.44 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.93 -0.652 . . . . 0.0 113.287 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.551 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 0.6 OUTLIER -83.46 110.11 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.085 0.469 . . . . 0.0 111.334 -179.093 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.615 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 2.2 m -104.74 143.87 32.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.388 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 0.8 OUTLIER -84.03 130.26 34.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.054 0.454 . . . . 0.0 110.999 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.741 ' HB2' ' HB ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -83.35 136.21 34.43 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.129 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.662 HG21 HD13 ' A' ' 65' ' ' LEU . 6.1 t -74.06 47.38 0.27 Allowed 'General case' 0 C--O 1.232 0.155 0 O-C-N 124.074 0.859 . . . . 0.0 111.779 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.421 ' HG2' ' HB3' ' A' ' 51' ' ' ASP . 5.1 pt20 -132.26 -27.98 1.74 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.127 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -174.07 32.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.837 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.08 51.03 52.93 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.741 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 1.4 m -84.23 103.8 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.615 ' HA ' ' O ' ' A' ' 49' ' ' THR . 2.8 m -85.36 120.31 26.7 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.551 ' O ' ' HA ' ' A' ' 48' ' ' PHE . 19.6 mt-10 -142.25 156.02 45.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.08 0.467 . . . . 0.0 112.035 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -54.31 111.74 0.84 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.165 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.7 mttt 64.85 -73.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.698 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.4 ' O ' ' HB2' ' A' ' 62' ' ' ALA . 6.0 mp -57.02 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.913 0.387 . . . . 0.0 111.502 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 61' ' ' LEU . . . 68.41 50.06 0.75 Allowed 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.987 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.592 ' HA ' HG21 ' A' ' 49' ' ' THR . . . -93.46 -37.77 11.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.055 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -165.24 77.42 0.29 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.075 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.662 HD13 HG21 ' A' ' 52' ' ' THR . 0.2 OUTLIER 66.78 147.51 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.233 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.45 -169.42 2.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.971 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -134.49 12.3 3.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.461 ' HB3' ' H ' ' A' ' 69' ' ' HIS . 0.0 OUTLIER -114.28 -144.85 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.863 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.461 ' H ' ' HB3' ' A' ' 68' ' ' HIS . 43.2 m80 63.02 -171.72 0.17 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.829 0.347 . . . . 0.0 111.093 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.97 -5.9 25.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -113.94 173.22 6.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.964 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.4 p80 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.929 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.767 0.317 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.464 ' HB3' ' H ' ' A' ' 3' ' ' ASP . 27.0 mmm 55.49 -113.49 0.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.464 ' H ' ' HB3' ' A' ' 2' ' ' MET . 0.0 OUTLIER 64.56 141.05 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.038 0.446 . . . . 0.0 111.309 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.411 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 21.2 t -93.6 101.25 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -95.09 100.02 11.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.36 123.39 29.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.63 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 t0 61.66 14.57 6.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.047 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.9 mtt 51.69 39.03 24.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.975 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -139.73 -24.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.737 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.447 ' CG2' ' HB2' ' A' ' 26' ' ' TRP . 86.8 t -117.94 142.85 30.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.739 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.8 t -113.1 96.08 5.74 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.432 ' SG ' HG12 ' A' ' 10' ' ' VAL . 62.5 m -113.36 84.77 7.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -66.92 -165.33 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.702 2.268 . . . . 0.0 113.171 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -50.12 132.54 23.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.345 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 84.64 0.76 89.26 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.716 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.444 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 92.6 m-85 -116.47 153.07 32.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.161 0.505 . . . . 0.0 111.469 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.533 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 98.2 m -121.88 134.77 54.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.189 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 19.8 p -104.05 105.08 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.073 0.463 . . . . 0.0 111.056 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.07 139.39 44.71 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.281 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.469 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 0.8 OUTLIER -53.94 159.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.363 179.116 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.91 -26.18 7.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.404 0.621 . . . . 0.0 109.64 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.512 ' O ' ' HB2' ' A' ' 23' ' ' SER . 3.9 tt0 -172.09 -46.99 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.541 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.512 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 0.2 OUTLIER 170.25 -32.01 0.0 OUTLIER 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.144 179.802 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.76 -51.5 28.45 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.683 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -166.59 -165.99 0.81 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.784 0.326 . . . . 0.0 110.947 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.469 ' CE3' ' HG2' ' A' ' 20' ' ' ARG . 38.5 m95 -106.41 156.45 18.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -116.82 154.65 16.65 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.219 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 17' ' ' THR . 85.6 m -104.64 116.91 32.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.834 0.349 . . . . 0.0 111.362 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 1.3 t -103.53 114.16 65.05 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.734 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.437 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 87.3 Cg_endo -74.07 72.81 3.92 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.24 2.626 . . . . 0.0 113.211 -178.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.503 ' HZ ' HG12 ' A' ' 35' ' ' VAL . 1.3 p90 -165.88 -170.26 1.72 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.573 179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.503 ' HG1' ' HZ3' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -65.65 -158.79 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.872 179.417 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.0 -165.51 1.03 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.632 0.253 . . . . 0.0 111.259 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 69.61 86.05 0.13 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.603 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.503 HG12 ' HZ ' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -160.88 -177.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.867 179.567 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.0 m 58.53 25.33 12.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.185 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.0 m -54.19 -64.69 0.75 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -116.14 -10.89 11.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.39 -179.43 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.788 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -159.68 49.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.721 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -163.09 -13.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.29 98.95 4.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.45 ' C ' HG11 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -82.39 26.9 0.52 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 96.7 m 64.01 142.53 0.07 OUTLIER Pre-proline 0 N--CA 1.463 0.208 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.308 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -56.78 163.76 6.85 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.511 2.14 . . . . 0.0 112.184 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.55 121.74 15.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.323 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.58 -22.72 14.54 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.784 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.528 ' HD1' ' N ' ' A' ' 59' ' ' GLN . 7.0 m-85 -114.83 159.12 21.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.108 0.48 . . . . 0.0 111.68 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.553 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 9.3 t -132.52 172.82 12.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.403 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 115.25 22.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.939 0.399 . . . . 0.0 110.449 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -110.35 168.38 9.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.28 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.416 ' C ' ' H ' ' A' ' 54' ' ' LYS . 0.3 OUTLIER 62.94 10.49 4.41 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.492 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.442 ' HB2' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER 59.17 6.46 0.71 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.243 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.416 ' H ' ' C ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -97.51 -38.51 9.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.361 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.29 33.48 0.53 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.566 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.08 111.81 20.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.697 0.284 . . . . 0.0 110.748 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.553 ' HA ' ' O ' ' A' ' 49' ' ' THR . 14.2 m -83.66 103.47 13.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.073 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.434 ' C ' ' HD1' ' A' ' 48' ' ' PHE . 19.1 mt-10 -134.62 164.66 27.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.193 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.528 ' N ' ' HD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -73.84 65.44 1.04 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.849 -179.556 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.503 ' HZ3' ' HG1' ' A' ' 32' ' ' THR . 6.1 mmtm 48.66 84.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.124 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.07 -6.33 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.31 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -160.32 2.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.423 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.12 -87.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.35 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.42 70.71 0.61 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.237 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.442 HD12 ' HB2' ' A' ' 53' ' ' GLN . 0.6 OUTLIER 54.83 81.53 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.969 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -157.48 -59.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -66.76 159.0 28.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.57 168.64 10.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -131.72 -173.73 3.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -95.7 75.74 3.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -121.24 178.32 4.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.973 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.755 0.312 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 46.8 mtm 58.8 95.57 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.73 -61.07 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.161 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 3.7 t -104.02 127.56 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.954 0.407 . . . . 0.0 111.379 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -126.22 133.68 51.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.344 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 -12.08 15.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.334 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -167.73 174.77 7.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.834 0.349 . . . . 0.0 110.977 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttm -84.86 46.31 1.25 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.85 -12.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.996 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.421 HG21 ' HB2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -104.72 165.59 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.045 -179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.3 p -158.52 84.85 0.84 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.469 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 40.0 m -103.41 93.84 5.26 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.845 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.24 -164.93 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.437 2.091 . . . . 0.0 112.815 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.83 131.28 35.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.435 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 89.33 -5.2 84.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.72 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -111.77 158.14 19.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.138 0.494 . . . . 0.0 111.31 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.485 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 4.2 m -129.46 145.43 51.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.804 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 28.1 p -103.7 109.24 20.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.135 0.493 . . . . 0.0 110.826 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.37 131.75 45.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.173 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -54.25 155.35 3.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.638 -179.715 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.7 mt -139.65 105.47 5.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.061 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 63.23 19.4 11.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.414 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.42 6.35 1.91 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.778 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.48 -28.04 41.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.048 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.57 -166.92 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.443 ' CE3' ' HG2' ' A' ' 20' ' ' ARG . 71.0 m95 -110.84 162.81 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.702 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -131.26 156.64 21.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.376 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 17' ' ' THR . 84.7 m -105.34 109.5 21.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.893 0.378 . . . . 0.0 111.242 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.528 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -104.23 124.61 36.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.253 179.498 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.442 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 91.9 Cg_endo -77.26 66.69 7.82 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.897 2.398 . . . . 0.0 112.954 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.528 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -163.08 173.31 13.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.988 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.2 t -82.24 159.64 23.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.074 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 60.55 -169.24 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.412 ' O ' HG23 ' A' ' 35' ' ' VAL . . . -125.72 177.82 6.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.011 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.528 HG22 ' HB3' ' A' ' 43' ' ' CYS . 13.6 t -144.05 -66.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.0 m 62.87 95.36 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.26 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.46 ' HB3' ' H ' ' A' ' 38' ' ' GLU . 58.2 m -116.2 -146.1 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.285 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.46 ' H ' ' HB3' ' A' ' 37' ' ' CYS . 6.1 mt-10 -137.95 164.89 27.89 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.75 0.309 . . . . 0.0 111.201 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 t70 62.65 166.78 0.12 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.456 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -69.06 100.29 1.22 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.581 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.452 HG13 ' H ' ' A' ' 42' ' ' HIS . 0.5 OUTLIER -170.94 159.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.452 ' H ' HG13 ' A' ' 41' ' ' ILE . 40.5 p-80 -82.52 170.71 14.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.087 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.528 ' HB3' HG22 ' A' ' 35' ' ' VAL . 34.5 m -63.0 177.27 0.6 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.47 ' SG ' HG21 ' A' ' 35' ' ' VAL . 6.0 m -56.86 141.07 75.64 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.807 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 44' ' ' CYS . 2.7 Cg_exo -75.48 31.78 0.38 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.811 2.341 . . . . 0.0 112.274 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' H ' ' C ' ' A' ' 44' ' ' CYS . . . 66.47 125.34 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.56 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.1 -18.99 25.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.536 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -119.91 169.85 9.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.581 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 26.3 p -126.08 136.0 52.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.433 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.501 ' HA ' ' O ' ' A' ' 56' ' ' THR . 9.2 t -84.22 102.96 13.02 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.106 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.495 ' HB2' ' HA ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -82.29 123.47 29.09 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.006 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.1 p -55.37 -28.28 52.88 Favored 'General case' 0 CA--C 1.522 -0.127 0 O-C-N 123.935 0.772 . . . . 0.0 112.048 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.602 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 5.3 tt0 -51.69 -28.21 14.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.6 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.21 17.97 0.56 Allowed 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.91 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . 42.5 47.14 5.78 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.501 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 5.5 t -122.25 138.21 54.57 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.581 ' HA ' ' O ' ' A' ' 49' ' ' THR . 40.6 m -95.46 115.13 27.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.52 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -135.74 173.4 11.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.0 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 84.77 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.654 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.41 -164.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.957 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.85 66.9 0.86 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.565 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.495 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . . . -90.91 -47.34 7.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.693 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.465 ' HB1' ' H ' ' A' ' 64' ' ' ALA . . . 63.72 -96.14 0.05 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.022 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.602 ' HB2' ' HB2' ' A' ' 53' ' ' GLN . . . -41.24 -41.47 1.87 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -35.64 112.14 0.15 Allowed 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.305 0.378 . . . . 0.0 111.95 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 55.41 51.64 12.58 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.768 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.6 m80 47.9 81.56 0.05 OUTLIER 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.359 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 56.92 -171.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.052 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.46 -2.75 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.782 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -89.1 -27.22 20.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.796 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.4 t60 55.27 62.54 2.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.72 0.295 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.68 -148.04 0.5 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.789 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.749 ' HB3' ' HA ' ' A' ' 13' ' ' PRO . 15.5 m-20 63.17 176.14 0.15 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.443 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 4.1 t -91.02 87.57 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.202 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -93.58 108.64 20.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.736 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -18.08 60.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.003 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -155.26 -164.78 1.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.6 ptm -104.49 40.95 1.38 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -159.01 -29.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.9 t -103.05 133.37 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.792 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.6 t -123.2 97.21 5.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.976 0.417 . . . . 0.0 111.706 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 23.3 m -106.41 93.6 8.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.532 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.749 ' HA ' ' HB3' ' A' ' 3' ' ' ASP . 97.7 Cg_endo -76.05 -158.87 0.09 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.47 2.113 . . . . 0.0 112.882 -178.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -54.45 132.6 44.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.527 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.34 -14.42 57.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.61 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.49 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 60.3 m-85 -103.33 153.13 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.098 0.475 . . . . 0.0 111.712 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 5.6 t -128.3 149.91 50.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.954 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 8.7 p -104.4 114.1 28.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.004 0.431 . . . . 0.0 111.338 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 m -134.21 131.69 38.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.527 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 1.0 OUTLIER -54.42 143.2 24.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.909 0.385 . . . . 0.0 110.808 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 mt -104.43 -97.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.395 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.26 35.11 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.18 0.514 . . . . 0.0 109.707 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 54.81 17.05 1.62 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.111 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.53 -13.59 20.21 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.39 -172.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.443 -0.378 . . . . 0.0 110.174 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.401 ' CE3' ' HG2' ' A' ' 20' ' ' ARG . 72.3 m95 -110.4 159.98 16.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 110.982 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -123.07 150.39 16.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.574 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 17' ' ' THR . 96.0 m -104.77 110.53 22.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -105.51 122.06 44.03 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.477 179.609 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -78.88 53.84 4.86 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.825 2.35 . . . . 0.0 111.952 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.437 ' HB2' HG21 ' A' ' 35' ' ' VAL . 4.9 p90 -65.61 168.89 6.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.528 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.0 t -139.19 19.11 2.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.995 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -177.18 -66.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.226 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.96 108.22 0.07 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.054 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.437 HG21 ' HB2' ' A' ' 31' ' ' PHE . 2.0 t -124.53 -37.94 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.246 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.1 m -53.97 -39.7 66.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.279 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 80.0 m 60.8 123.18 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.354 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -63.38 -110.95 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.253 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' HB3' ' H ' ' A' ' 40' ' ' HIS . 0.9 OUTLIER 52.95 -91.58 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.797 0.332 . . . . 0.0 110.928 -179.686 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.446 ' H ' ' HB3' ' A' ' 39' ' ' ASP . 3.6 p-80 -168.74 36.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.414 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.2 -175.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.723 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -137.9 -175.0 3.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.376 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 44' ' ' CYS . 57.7 m -45.35 -21.62 0.1 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.205 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 55.5 m 67.77 160.73 0.14 Allowed Pre-proline 0 N--CA 1.463 0.205 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.352 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -44.2 160.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.984 2.456 . . . . 0.0 112.947 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.95 154.23 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.546 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.65 -19.33 41.43 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.549 ' N ' ' HD1' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -84.2 177.48 8.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.078 0.466 . . . . 0.0 110.797 -179.495 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.526 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 54.5 m -158.9 130.22 6.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.812 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.9 110.79 18.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.199 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' OD1' ' HA ' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -83.42 124.33 30.57 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.562 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.461 ' HB ' HD11 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -56.41 -14.07 2.72 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.957 0.786 . . . . 0.0 111.244 -179.308 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.543 ' HB2' ' HB2' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -58.3 -31.21 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.928 179.491 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -171.79 31.78 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.477 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.43 47.95 22.09 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.371 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.48 122.07 43.61 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 49' ' ' THR . 27.4 p -87.23 129.91 34.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.907 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.531 ' O ' ' HA ' ' A' ' 48' ' ' PHE . 3.6 pt-20 -143.49 132.56 22.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.288 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -59.96 79.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.84 -179.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 175.53 -91.82 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 mt -164.48 178.96 7.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.714 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.432 ' HA ' ' OD1' ' A' ' 51' ' ' ASP . . . -86.12 74.46 10.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.018 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.31 -24.73 67.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.543 ' HB2' ' HB2' ' A' ' 53' ' ' GLN . . . -79.59 -63.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.219 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.461 HD11 ' HB ' ' A' ' 52' ' ' THR . 1.1 mt -136.98 110.17 7.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' HB2' ' O ' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -130.64 129.05 42.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.977 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -101.41 -79.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -142.4 109.04 5.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.845 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.414 ' HB3' ' H ' ' A' ' 70' ' ' HIS . 11.7 t60 -71.53 -83.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.996 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.414 ' H ' ' HB3' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -154.34 -57.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.4 m80 66.01 138.06 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.214 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 m170 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.975 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 120.797 0.332 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.26 -164.99 0.98 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -115.5 167.24 11.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 5.1 t -127.69 134.67 64.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.1 -160.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.53 -65.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.679 0.276 . . . . 0.0 111.175 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.4 ' HB2' ' NE1' ' A' ' 26' ' ' TRP . 1.9 t0 -113.09 30.58 7.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.021 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 mtt 54.18 35.24 22.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.07 -47.87 0.66 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.596 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.556 HG23 ' SG ' ' A' ' 28' ' ' CYS . 2.7 p -89.64 156.44 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.679 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.501 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.8 m -129.94 88.11 2.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.017 0.436 . . . . 0.0 111.46 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.422 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 60.1 m -95.29 100.31 5.69 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.462 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.501 ' HD3' ' O ' ' A' ' 11' ' ' SER . 97.1 Cg_endo -78.62 -154.13 0.05 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.382 2.054 . . . . 0.0 113.168 -178.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -54.53 123.95 14.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.786 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.418 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 89.91 -20.28 36.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.1 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.544 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 24.9 m-85 -93.3 151.4 19.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.155 0.502 . . . . 0.0 111.792 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.535 HG23 ' HB2' ' A' ' 29' ' ' CYS . 6.1 t -130.75 158.57 39.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.359 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.429 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 31.9 p -104.68 114.68 29.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.111 0.482 . . . . 0.0 111.503 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.47 127.39 37.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.359 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 143.41 19.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.313 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.503 ' C ' ' H ' ' A' ' 23' ' ' SER . 25.3 mt -115.71 7.04 14.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.683 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.61 ' C ' ' H ' ' A' ' 24' ' ' GLY . 3.8 mp0 70.43 -17.57 0.27 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.635 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.503 ' H ' ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -73.54 26.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.203 0.525 . . . . 0.0 109.722 179.538 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.61 ' H ' ' C ' ' A' ' 22' ' ' GLN . . . 70.16 10.87 66.35 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.194 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.63 178.89 7.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.758 0.314 . . . . 0.0 111.085 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.4 ' NE1' ' HB2' ' A' ' 7' ' ' ASP . 71.8 m95 -107.59 165.06 11.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.429 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -126.61 155.31 19.51 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.562 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.556 ' SG ' HG23 ' A' ' 10' ' ' VAL . 34.3 m -105.46 119.17 38.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.902 0.382 . . . . 0.0 111.256 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 1.3 m -111.46 111.6 54.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.378 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.508 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 57.9 Cg_endo -85.01 62.48 6.09 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.131 2.554 . . . . 0.0 112.359 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -115.18 -161.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.415 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.2 p -122.7 57.53 1.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.33 . . . . 0.0 111.273 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 64.82 125.87 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.6 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -171.17 -151.18 0.07 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.618 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.569 ' O ' ' HB3' ' A' ' 42' ' ' HIS . 11.6 t -116.86 138.6 46.96 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 CA-C-O 120.68 0.276 . . . . 0.0 111.362 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.889 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -71.78 15.97 0.13 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.57 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.483 ' H ' ' C ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -72.86 163.07 28.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.74 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 57.32 -169.12 0.11 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.87 95.59 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -159.87 -48.21 0.05 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.499 ' O ' HD12 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -169.11 -27.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.569 ' HB3' ' O ' ' A' ' 35' ' ' VAL . 70.6 m80 -54.23 161.29 1.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.225 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.758 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.2 m -166.89 171.32 11.39 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.099 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.889 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -137.87 134.94 18.35 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.873 179.782 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.99 162.39 41.9 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.413 2.075 . . . . 0.0 112.081 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.39 -170.7 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.204 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.3 50.5 4.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.671 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 9.3 m-30 -90.62 138.48 31.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.082 0.468 . . . . 0.0 111.694 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.629 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -131.37 165.53 23.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.732 178.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 96.2 m -83.25 131.46 35.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.945 0.402 . . . . 0.0 110.796 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.702 ' HB2' ' HB ' ' A' ' 56' ' ' THR . 1.2 m-20 -120.84 172.88 7.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.992 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.17 14.36 5.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.095 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.701 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . 0.0 OUTLIER 59.89 7.44 1.13 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.351 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -104.45 -68.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.985 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.14 38.15 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.648 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.702 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 32.4 m -84.85 104.03 14.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.774 0.321 . . . . 0.0 110.632 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 49' ' ' THR . 0.6 OUTLIER -83.45 114.84 21.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.369 -179.358 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 48' ' ' PHE . 2.3 pt-20 -151.29 169.78 21.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.811 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 98.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.421 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp 55.05 -160.19 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.492 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 67.02 147.44 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.467 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -153.8 -56.95 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.818 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.25 -86.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.803 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.701 ' HB1' ' HB2' ' A' ' 53' ' ' GLN . . . -49.8 -47.76 51.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.573 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.485 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -63.88 140.74 58.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.939 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.64 -166.87 1.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.24 -79.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.59 -55.77 0.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.808 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.68 108.2 6.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.67 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.416 ' HB3' ' H ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -77.71 -101.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.045 -179.727 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.416 ' H ' ' HB3' ' A' ' 70' ' ' HIS . 7.1 m-70 -131.13 -51.2 1.02 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.752 0.31 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.85 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.841 0.353 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.13 97.77 11.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.685 ' HB2' ' HA ' ' A' ' 13' ' ' PRO . 5.7 p30 -133.35 174.42 10.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.824 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 3.5 t -76.42 91.65 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 110.706 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -94.68 128.91 41.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.451 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.443 ' HB2' HG12 ' A' ' 10' ' ' VAL . 1.6 m -118.31 120.18 36.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.983 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.22 -159.63 0.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.372 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.93 44.74 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.69 0.281 . . . . 0.0 111.166 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.15 22.61 0.11 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.258 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.443 HG12 ' HB2' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -148.1 159.44 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.975 179.795 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 t -151.91 90.79 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.44 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 3.2 m -105.09 93.32 6.35 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.403 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.685 ' HA ' ' HB2' ' A' ' 3' ' ' ASP . 84.9 Cg_endo -78.18 -163.45 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.569 2.179 . . . . 0.0 112.974 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.98 130.29 33.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.562 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.503 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 89.91 -1.1 80.26 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.589 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -114.09 155.56 25.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.085 0.469 . . . . 0.0 111.72 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 29' ' ' CYS . 14.7 t -121.68 146.83 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.002 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.8 111.84 24.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.893 0.378 . . . . 0.0 111.571 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -136.94 138.68 40.87 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.671 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 1.1 mmt85 -62.65 153.18 33.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.258 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.3 mt -105.99 -98.46 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.679 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -93.96 32.42 1.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 110.126 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.35 9.66 3.44 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.72 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.1 -15.14 16.93 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.153 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -169.0 179.73 3.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.748 0.309 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.531 ' CZ3' ' HG2' ' A' ' 20' ' ' ARG . 96.1 m95 -104.9 166.13 10.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.799 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.43 144.42 15.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.891 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 17' ' ' THR . 56.7 m -104.75 121.59 43.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.591 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.524 ' O ' HG23 ' A' ' 17' ' ' THR . 34.5 t -123.01 126.54 25.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.369 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.503 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 91.2 Cg_endo -78.68 52.23 4.11 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.656 2.237 . . . . 0.0 111.921 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.447 ' CE1' ' HB ' ' A' ' 17' ' ' THR . 0.8 OUTLIER -64.29 171.91 2.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.521 -179.509 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.4 p -139.61 62.2 1.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.927 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 61.17 48.98 5.84 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.366 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -141.99 -78.19 0.26 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.768 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.701 ' HB ' ' HB3' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -112.2 -172.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.936 -179.068 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -170.14 -24.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.93 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.44 119.33 21.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.646 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -85.25 137.7 32.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.223 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -102.24 -50.22 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.573 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.434 ' C ' HG13 ' A' ' 41' ' ' ILE . 2.3 t60 -135.1 -62.55 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.434 HG13 ' C ' ' A' ' 40' ' ' HIS . 0.2 OUTLIER -136.53 -10.96 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.298 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -146.7 167.07 24.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.886 0.374 . . . . 0.0 111.125 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.701 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 66.5 m -80.33 71.76 7.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.404 ' HB3' ' HB3' ' A' ' 57' ' ' CYS . 0.4 OUTLIER 58.64 101.22 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.011 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.41 55.58 4.74 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.632 2.221 . . . . 0.0 112.589 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.6 147.53 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.57 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.61 -21.36 33.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.521 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.48 ' HD1' ' N ' ' A' ' 59' ' ' GLN . 1.3 m-85 -126.9 162.19 26.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.928 0.394 . . . . 0.0 111.358 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.563 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -137.28 169.56 17.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.817 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.456 ' HB3' ' CA ' ' A' ' 55' ' ' GLY . 59.9 m -83.96 115.98 22.58 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.601 0.563 . . . . 0.0 110.691 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.576 ' O ' ' HB ' ' A' ' 52' ' ' THR . 15.7 t0 179.87 -172.35 0.19 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.995 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.576 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER 101.99 -35.45 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 124.43 1.081 . . . . 0.0 111.426 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.424 ' N ' HG23 ' A' ' 52' ' ' THR . 0.1 OUTLIER -178.44 -2.57 0.01 OUTLIER 'General case' 0 C--O 1.232 0.133 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.644 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -169.53 -44.84 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.219 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' CA ' ' HB3' ' A' ' 50' ' ' CYS . . . 153.7 45.25 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.058 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.6 p -84.44 138.79 32.62 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.563 ' HA ' ' O ' ' A' ' 49' ' ' THR . 15.7 m -82.74 104.73 13.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.853 0.359 . . . . 0.0 111.161 -179.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.463 ' C ' ' HB3' ' A' ' 48' ' ' PHE . 5.8 mm-40 -135.16 162.83 31.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.211 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.48 ' N ' ' HD1' ' A' ' 48' ' ' PHE . 5.8 tt0 -78.89 50.61 1.03 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.078 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.406 ' HG3' HD23 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -176.75 172.35 2.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.061 179.728 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.406 HD23 ' HG3' ' A' ' 60' ' ' LYS . 2.4 mm? 61.6 171.26 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.665 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -167.8 137.24 2.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 66' ' ' GLU . . . 65.05 140.55 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.294 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.85 94.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.454 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 47.75 73.29 0.21 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.304 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.534 ' HB2' ' HB2' ' A' ' 63' ' ' ALA . 0.8 OUTLIER -115.03 70.31 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.844 -179.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.518 ' HB3' ' H ' ' A' ' 68' ' ' HIS . 0.3 OUTLIER 51.7 -146.38 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.518 ' H ' ' HB3' ' A' ' 67' ' ' HIS . 10.3 p80 -149.91 -41.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.369 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -136.19 -166.54 1.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 58.42 -172.76 0.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.89 -163.67 0.17 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.071 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.166 -0.921 . . . . 0.0 110.919 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.759 0.314 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.43 107.09 17.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -160.04 123.05 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.23 142.73 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.53 122.5 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.797 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -21.49 17.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.295 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -155.11 177.6 11.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.157 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ttm -86.67 41.0 0.93 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.994 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -160.7 -22.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 p -96.55 156.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.462 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 4.5 p -148.64 86.18 1.52 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.003 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.5 m -100.32 97.58 6.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.05 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 11' ' ' SER . 86.6 Cg_endo -78.74 -165.06 0.31 Allowed 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.515 2.143 . . . . 0.0 112.869 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -49.84 124.6 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.004 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 90.4 3.8 71.64 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.801 -0.636 . . . . 0.0 113.327 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 85.8 m-85 -119.58 156.24 30.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.075 0.464 . . . . 0.0 111.79 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 6.9 t -129.58 153.7 47.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.051 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 21.0 p -104.27 123.48 47.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.914 0.387 . . . . 0.0 111.356 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -141.54 132.69 26.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.42 155.08 22.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.743 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.6 mt -123.35 -96.43 0.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.6 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.441 ' H ' ' HG2' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -96.35 27.91 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.125 0.488 . . . . 0.0 110.109 179.308 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.23 0.17 1.61 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.201 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.0 -31.06 49.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.729 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.89 177.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.625 -0.287 . . . . 0.0 110.563 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -90.92 161.75 15.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.954 0.407 . . . . 0.0 110.807 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.472 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -125.84 150.4 17.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 17' ' ' THR . 71.2 m -106.62 113.58 27.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.942 0.401 . . . . 0.0 111.211 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -104.58 127.06 29.75 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.194 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.445 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 49.7 Cg_endo -72.53 34.54 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.538 2.159 . . . . 0.0 113.164 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.466 ' H ' ' C ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER 60.12 155.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.861 178.571 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.418 ' C ' ' H ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -176.24 28.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.492 179.318 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 63.17 2.89 1.17 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.192 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.418 ' H ' ' C ' ' A' ' 32' ' ' THR . . . -178.75 175.82 1.02 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.107 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.652 HG13 ' H ' ' A' ' 36' ' ' CYS . 42.4 t 65.08 154.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.198 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.652 ' H ' HG13 ' A' ' 35' ' ' VAL . 1.6 p -160.65 6.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.029 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.512 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -103.69 106.16 16.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.533 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -167.42 139.94 3.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.201 0.524 . . . . 0.0 111.655 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.11 75.38 1.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.605 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.9 t60 68.62 46.88 0.92 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.432 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 tt -154.86 18.99 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.208 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.6 m170 67.05 156.0 0.1 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.663 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.445 ' SG ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.9 55.45 3.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.163 179.68 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.605 ' SG ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER 53.28 83.12 0.23 Allowed Pre-proline 0 C--O 1.232 0.141 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.501 -179.18 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.58 ' HG2' ' HE2' ' A' ' 48' ' ' PHE . 61.4 Cg_endo -73.3 69.33 4.1 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.926 2.417 . . . . 0.0 113.215 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.93 147.74 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.207 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.8 -23.59 7.53 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.99 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.58 ' HE2' ' HG2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -119.27 -178.12 3.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.212 0.529 . . . . 0.0 111.199 -179.496 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.546 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -164.27 163.44 22.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.246 179.631 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.572 ' HB3' ' HA2' ' A' ' 55' ' ' GLY . 3.1 m -83.95 113.23 20.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.076 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -128.33 -173.92 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.259 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.584 ' HG1' ' HB2' ' A' ' 54' ' ' LYS . 1.4 p 64.5 17.14 10.68 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.507 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.63 11.9 0.98 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.457 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.584 ' HB2' ' HG1' ' A' ' 52' ' ' THR . 0.0 OUTLIER -113.66 -10.57 13.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.7 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.572 ' HA2' ' HB3' ' A' ' 50' ' ' CYS . . . 84.95 35.74 12.31 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.278 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.47 116.8 24.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.631 0.253 . . . . 0.0 110.954 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 49' ' ' THR . 55.8 m -83.31 109.25 17.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.008 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -138.2 156.59 47.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 179.794 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.547 ' O ' ' HB3' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -75.25 37.12 0.12 Allowed 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.294 -179.57 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.547 ' HB3' ' O ' ' A' ' 59' ' ' GLN . 2.2 ptpt 169.3 -169.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.531 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.77 129.18 55.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.658 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.456 ' HB3' HD21 ' A' ' 65' ' ' LEU . . . -121.65 -40.24 2.57 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.035 -179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 64.77 158.43 0.09 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.609 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 60.81 23.5 13.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.743 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.548 HD22 HG23 ' A' ' 52' ' ' THR . 0.8 OUTLIER -57.92 154.22 12.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.71 0.29 . . . . 0.0 110.939 179.778 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.24 -174.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.034 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.92 -167.29 0.47 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.433 ' HD1' ' HB2' ' A' ' 70' ' ' HIS . 11.4 p80 -80.4 157.63 26.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -115.25 83.77 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.433 ' HB2' ' HD1' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -110.8 76.79 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.605 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -88.92 20.17 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.897 179.896 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.9 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.783 0.325 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.58 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 7.4 t -125.68 143.38 39.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' ' 10' ' ' VAL . 6.4 mttp -147.05 142.4 27.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.755 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -29.81 13.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.666 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.18 -171.79 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.717 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 mtt -92.75 46.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.93 -1.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.193 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.466 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -123.6 166.2 18.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.138 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.3 p -151.35 88.88 1.46 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.298 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.58 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -122.23 92.63 48.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.142 179.515 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' O ' ' HB2' ' A' ' 16' ' ' TYR . 91.7 Cg_endo -75.48 -156.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.981 2.454 . . . . 0.0 113.401 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.4 140.51 22.02 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.44 -11.71 62.86 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.669 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.525 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 87.2 m-85 -105.16 154.89 19.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.016 0.436 . . . . 0.0 111.206 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.501 ' HB ' ' SG ' ' A' ' 29' ' ' CYS . 8.4 m -122.45 149.15 44.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.279 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.1 m -103.81 108.93 20.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 t -125.23 130.55 52.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HG2' ' CH2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -75.46 145.62 41.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.224 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.7 177.9 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.399 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.534 ' C ' ' H ' ' A' ' 24' ' ' GLY . 7.3 pt20 -84.57 -5.25 59.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.168 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.24 25.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.821 0.343 . . . . 0.0 110.34 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' A' ' 22' ' ' GLN . . . 51.85 32.67 34.06 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.578 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -161.65 -172.7 3.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 111.261 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.406 ' CH2' ' HG2' ' A' ' 20' ' ' ARG . 81.5 m95 -101.53 171.24 7.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -131.19 140.6 11.92 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.535 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 12' ' ' CYS . 28.2 m -104.47 116.13 31.56 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -105.34 106.5 56.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.575 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.432 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 87.3 Cg_endo -78.8 65.37 8.76 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.967 2.445 . . . . 0.0 112.917 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.687 ' HZ ' ' HA ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -156.37 173.22 17.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.074 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.67 92.33 3.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.414 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.01 -157.28 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.56 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.17 95.21 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.893 0.377 . . . . 0.0 110.53 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.687 ' HA ' ' HZ ' ' A' ' 31' ' ' PHE . 24.2 m -67.82 133.38 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.823 -179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.138 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.309 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.93 0.395 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.441 ' C ' ' H ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -97.72 146.81 32.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.542 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HD2' ' CE2' ' A' ' 48' ' ' PHE . 15.6 Cg_exo -69.13 34.68 0.19 Allowed 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 122.99 2.46 . . . . 0.0 112.778 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' A' ' 44' ' ' CYS . . . 66.29 161.4 0.15 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.097 0.475 . . . . 0.0 111.999 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.54 1.77 83.3 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.417 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' HD2' ' A' ' 45' ' ' PRO . 7.0 m-85 -123.8 141.21 52.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 111.267 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.677 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -111.14 161.26 16.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.286 179.047 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.864 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 18.0 p -83.22 128.79 34.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.173 0.511 . . . . 0.0 111.233 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.481 ' OD2' ' HG ' ' A' ' 61' ' ' LEU . 3.1 m-20 -122.54 179.96 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.661 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 63.26 10.95 5.01 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.233 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 57.46 14.05 2.08 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -110.05 -38.0 5.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.681 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.864 ' HA2' ' HB2' ' A' ' 50' ' ' CYS . . . 128.3 40.82 0.29 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.806 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.55 113.14 25.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.73 0.265 . . . . 0.0 110.825 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.677 ' HA ' ' O ' ' A' ' 49' ' ' THR . 1.1 m -84.4 115.82 22.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.874 0.369 . . . . 0.0 111.312 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -156.6 82.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.137 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.487 ' H ' ' HD1' ' A' ' 48' ' ' PHE . 1.1 mp0 63.24 164.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.525 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.582 ' HA ' ' OG1' ' A' ' 49' ' ' THR . 7.5 ptmm? -61.15 135.58 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.021 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.481 ' HG ' ' OD2' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -141.93 -82.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.409 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.761 0.315 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.7 t -94.25 110.48 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.334 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.61 ' HD2' ' HA ' ' A' ' 8' ' ' MET . 9.0 mtmm -99.58 132.36 44.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.33 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.4 m -123.13 17.38 9.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.365 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.546 ' HB2' ' CD1' ' A' ' 26' ' ' TRP . 20.2 t0 -173.7 13.69 0.01 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.273 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.61 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 3.4 mtt 55.08 33.24 19.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.163 0.506 . . . . 0.0 110.711 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -147.53 -41.44 0.18 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.432 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 20.0 m -84.75 174.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.617 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.79 100.32 2.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.066 0.46 . . . . 0.0 111.366 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 16' ' ' TYR . 10.1 m -113.51 85.19 8.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.557 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.84 -161.95 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.718 2.279 . . . . 0.0 113.34 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -49.42 134.46 18.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.609 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.591 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 84.48 0.5 89.35 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.392 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.542 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 98.3 m-85 -121.61 165.63 15.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.194 0.521 . . . . 0.0 111.569 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 2.7 t -143.21 158.99 43.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.499 178.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -104.35 124.15 48.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.309 0.576 . . . . 0.0 111.667 -179.236 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.95 124.87 27.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.045 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.39 153.19 12.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.205 0.526 . . . . 0.0 111.782 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.5 mt -138.08 103.42 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.572 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.27 17.36 6.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.26 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.0 t 63.66 3.51 1.55 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.692 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.16 -20.3 53.14 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.221 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.39 -171.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.696 0.284 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.546 ' CD1' ' HB2' ' A' ' 7' ' ' ASP . 88.2 m95 -115.01 166.17 12.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.703 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -132.83 153.02 20.5 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.754 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 17' ' ' THR . 75.7 m -105.32 110.21 22.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.894 0.378 . . . . 0.0 111.048 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -104.26 140.66 21.29 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.672 179.186 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.591 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 55.5 Cg_endo -74.66 39.2 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.242 1.962 . . . . 0.0 113.279 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 61.19 145.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.496 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.492 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -175.56 40.93 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.98 179.453 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 60.86 35.37 19.34 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.019 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.77 92.93 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.474 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 32' ' ' THR . 86.9 t -115.69 -67.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.069 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.796 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.846 0.355 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 10.2 m -81.14 156.83 71.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.628 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.62 36.32 0.38 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.803 2.335 . . . . 0.0 112.624 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.02 127.22 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.61 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.9 -42.3 2.0 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.726 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.415 ' HB3' ' N ' ' A' ' 58' ' ' GLU . 5.3 m-85 -88.18 170.77 10.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 111.232 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.682 HG21 HD23 ' A' ' 61' ' ' LEU . 4.1 t -135.97 177.76 7.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.655 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.59 132.53 34.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.814 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.79 -176.37 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.46 14.38 5.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 58.45 13.56 2.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -117.46 -64.61 1.28 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.7 37.44 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.618 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.2 m -84.74 120.82 26.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.659 0.266 . . . . 0.0 110.716 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 49' ' ' THR . 92.6 m -84.31 112.08 19.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.957 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.415 ' N ' ' HB3' ' A' ' 48' ' ' PHE . 3.7 mt-10 -140.03 164.99 28.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 6.0 mt-30 -51.53 103.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.35 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER 54.76 179.77 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.696 179.639 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.682 HD23 HG21 ' A' ' 49' ' ' THR . 0.0 OUTLIER -83.26 145.08 29.32 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.816 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.353 -179.719 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.828 0.347 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 t -84.22 119.7 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.06 130.15 55.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.625 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.85 -44.92 3.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.197 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -135.88 179.08 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.33 . . . . 0.0 110.999 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.18 38.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -161.06 -35.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.41 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.798 HG21 ' HB2' ' A' ' 26' ' ' TRP . 24.1 t -89.7 129.69 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.718 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.5 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -131.75 95.76 3.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.504 -179.555 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.617 ' HB3' ' HB3' ' A' ' 16' ' ' TYR . 17.8 m -100.59 97.53 6.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.524 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' ' 11' ' ' SER . 92.7 Cg_endo -80.61 -156.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.551 2.167 . . . . 0.0 113.449 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.31 128.37 19.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.952 -179.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.58 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 81.22 8.01 87.76 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.824 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.617 ' HB3' ' HB3' ' A' ' 12' ' ' CYS . 92.9 m-85 -121.63 155.68 34.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.072 0.463 . . . . 0.0 111.306 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.538 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 98.0 m -127.07 138.48 53.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.234 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 13.7 p -103.8 114.22 28.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.212 0.53 . . . . 0.0 110.495 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -149.49 139.36 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.259 -179.184 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.535 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 15.2 mmt180 -53.15 147.58 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.5 mt -105.31 -87.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.558 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.39 28.16 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.324 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.48 9.19 4.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.117 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.16 -14.78 15.79 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.028 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -169.22 177.93 4.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.746 0.308 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.798 ' HB2' HG21 ' A' ' 10' ' ' VAL . 71.7 m95 -101.38 159.28 15.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -134.19 156.0 22.15 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.545 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 17' ' ' THR . 99.3 m -105.1 113.78 27.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 t -104.41 119.41 53.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.853 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.58 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 95.3 Cg_endo -74.52 66.79 5.55 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.866 2.377 . . . . 0.0 112.548 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.486 ' HZ ' ' H ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -161.98 -171.2 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.072 -179.747 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.22 129.95 34.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.51 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -46.33 111.46 0.37 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.901 0.381 . . . . 0.0 111.413 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.97 -62.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.6 ' HB ' ' HB3' ' A' ' 43' ' ' CYS . 0.2 OUTLIER -112.23 -177.65 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.864 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 1.9 m . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.6 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 56.5 m . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.88 0.372 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 82.0 m 66.63 144.55 0.09 OUTLIER Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.322 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.889 ' HD2' ' HB2' ' A' ' 48' ' ' PHE . 28.0 Cg_exo -62.14 -141.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.925 2.417 . . . . 0.0 112.668 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.08 -83.74 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.778 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.71 43.33 1.47 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.849 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.889 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . 0.7 OUTLIER -93.2 137.32 32.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.697 0.284 . . . . 0.0 110.293 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 1.1 m -102.53 131.98 48.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.274 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.658 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -85.1 127.42 34.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.141 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.436 ' OD2' ' HB2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -84.5 134.23 34.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.894 179.452 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -49.15 -25.38 2.15 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.436 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 12.8 tt0 -52.98 -36.03 59.77 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.158 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -173.31 36.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.672 0.273 . . . . 0.0 110.859 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.658 ' HA2' ' HB2' ' A' ' 50' ' ' CYS . . . 53.08 46.99 61.3 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.239 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.549 ' C ' ' HA ' ' A' ' 50' ' ' CYS . 6.6 m -83.79 103.57 13.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 111.405 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 49' ' ' THR . 14.9 m -84.01 120.74 26.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -138.67 164.17 30.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.619 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -46.61 119.71 2.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.014 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.09 -175.89 0.13 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.894 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 pp -80.31 153.44 28.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.125 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.752 0.31 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 21.8 t -100.12 115.52 41.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.62 135.28 52.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.7 m -140.67 118.31 11.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.74 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 61.8 167.83 0.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.954 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 mtm -92.8 56.33 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -171.67 -8.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.751 HG21 ' HB2' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -125.03 134.82 65.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.22 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.409 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 5.6 t -135.79 99.01 4.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.075 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.419 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 2.9 m -106.18 91.02 5.13 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.294 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 11' ' ' SER . 88.1 Cg_endo -78.96 -154.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.666 2.244 . . . . 0.0 112.897 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -56.46 133.11 52.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.464 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.456 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 84.96 -11.73 59.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.247 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.447 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 54.6 m-85 -104.46 153.49 21.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.011 0.434 . . . . 0.0 111.257 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 10.6 t -121.63 140.32 52.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.84 178.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.68 110.82 23.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.603 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 0.6 OUTLIER -148.45 142.36 25.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.374 -179.735 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.541 ' HE ' ' HA ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -57.13 152.86 12.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.788 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -108.36 -78.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.642 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -107.35 29.85 6.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.381 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.541 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 8.2 t 63.65 10.5 5.07 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.42 -11.36 9.7 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.306 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -167.83 161.35 13.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.864 0.364 . . . . 0.0 111.425 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.751 ' HB2' HG21 ' A' ' 10' ' ' VAL . 90.6 m95 -89.69 163.45 15.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.699 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.66 144.78 16.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.676 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.629 ' SG ' HG12 ' A' ' 10' ' ' VAL . 86.4 m -108.71 108.65 19.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 111.045 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.502 ' HB3' HG22 ' A' ' 17' ' ' THR . 0.5 OUTLIER -103.89 117.9 58.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.231 179.428 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 76.3 Cg_endo -78.67 69.84 7.6 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.097 2.531 . . . . 0.0 113.26 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.406 ' CE1' ' HB3' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -161.88 179.91 7.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.096 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.6 t -83.21 -175.29 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.739 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 56.41 -160.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.83 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.64 115.67 6.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 0.0 111.397 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.2 t -128.27 138.53 54.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.69 0.281 . . . . 0.0 110.739 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.408 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 84.9 m 63.28 157.33 0.12 Allowed Pre-proline 0 CA--C 1.529 0.15 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.168 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.557 ' HG2' ' CG ' ' A' ' 48' ' ' PHE . 13.3 Cg_endo -57.19 -178.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.443 2.096 . . . . 0.0 112.172 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.6 128.28 35.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.033 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.8 -20.52 49.44 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.93 -0.652 . . . . 0.0 113.287 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.563 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 0.6 OUTLIER -83.46 110.11 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.085 0.469 . . . . 0.0 111.334 -179.093 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.625 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 2.2 m -104.74 143.87 32.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.388 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.03 130.26 34.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.054 0.454 . . . . 0.0 110.999 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.763 ' HB2' ' HB ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -83.35 136.21 34.43 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.129 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.1 t -74.06 47.38 0.27 Allowed 'General case' 0 C--O 1.232 0.155 0 O-C-N 124.074 0.859 . . . . 0.0 111.779 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' HG2' ' HB3' ' A' ' 51' ' ' ASP . 5.1 pt20 -132.26 -27.98 1.74 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.127 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -174.07 32.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.837 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.08 51.03 52.93 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.763 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 1.4 m -84.23 103.8 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.625 ' HA ' ' O ' ' A' ' 49' ' ' THR . 2.8 m -85.36 120.31 26.7 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.563 ' O ' ' HA ' ' A' ' 48' ' ' PHE . 19.6 mt-10 -142.25 156.02 45.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.08 0.467 . . . . 0.0 112.035 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -54.31 111.74 0.84 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.165 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.7 mttt 64.85 -73.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.698 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 mp -57.02 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.913 0.387 . . . . 0.0 111.502 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.1 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.987 -179.84 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.23 0 CA-C-O 121.038 0.446 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.418 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 21.2 t -93.6 101.25 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HE2' ' O ' ' A' ' 10' ' ' VAL . 1.2 mmpt? -95.09 100.02 11.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.005 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.36 123.39 29.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.63 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 t0 61.66 14.57 6.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.047 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.9 mtt 51.69 39.03 24.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.975 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -139.73 -24.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.737 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.734 HG21 ' HB2' ' A' ' 26' ' ' TRP . 86.8 t -117.94 142.85 30.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.739 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.8 t -113.1 96.08 5.74 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.418 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 62.5 m -113.36 84.77 7.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -66.92 -165.33 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.702 2.268 . . . . 0.0 113.171 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -50.12 132.54 23.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.345 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 84.64 0.76 89.26 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.716 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 92.6 m-85 -116.47 153.07 32.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.161 0.505 . . . . 0.0 111.469 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.547 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 98.2 m -121.88 134.77 54.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.189 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 19.8 p -104.05 105.08 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.073 0.463 . . . . 0.0 111.056 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.07 139.39 44.71 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.281 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.481 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 0.8 OUTLIER -53.94 159.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.363 179.116 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.91 -26.18 7.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.404 0.621 . . . . 0.0 109.64 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 23' ' ' SER . 3.9 tt0 -172.09 -46.99 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.541 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 0.2 OUTLIER 170.25 -32.01 0.0 OUTLIER 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.144 179.802 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.76 -51.5 28.45 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.683 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -166.59 -165.99 0.81 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.784 0.326 . . . . 0.0 110.947 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.734 ' HB2' HG21 ' A' ' 10' ' ' VAL . 38.5 m95 -106.41 156.45 18.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -116.82 154.65 16.65 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.219 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 17' ' ' THR . 85.6 m -104.64 116.91 32.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.834 0.349 . . . . 0.0 111.362 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 1.3 t -103.53 114.16 65.05 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.734 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.52 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 87.3 Cg_endo -74.07 72.81 3.92 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.24 2.626 . . . . 0.0 113.211 -178.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -165.88 -170.26 1.72 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.573 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -158.79 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.872 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.0 -165.51 1.03 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.632 0.253 . . . . 0.0 111.259 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 35' ' ' VAL . . . 69.61 86.05 0.13 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.603 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.493 HG11 ' O ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -160.88 -177.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.867 179.567 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.185 -179.64 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.493 ' O ' HG11 ' A' ' 35' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.606 0.241 . . . . 0.0 111.15 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 96.7 m 64.01 142.53 0.07 OUTLIER Pre-proline 0 N--CA 1.463 0.208 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.308 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -56.78 163.76 6.85 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.511 2.14 . . . . 0.0 112.184 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.55 121.74 15.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.323 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.58 -22.72 14.54 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.784 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.527 ' HD1' ' N ' ' A' ' 59' ' ' GLN . 7.0 m-85 -114.83 159.12 21.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.108 0.48 . . . . 0.0 111.68 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 9.3 t -132.52 172.82 12.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.403 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 115.25 22.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.939 0.399 . . . . 0.0 110.449 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.487 ' OD1' HG23 ' A' ' 49' ' ' THR . 12.9 m-20 -110.35 168.38 9.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.28 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 62.94 10.49 4.41 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.492 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.17 6.46 0.71 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.243 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 -38.51 9.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.361 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.29 33.48 0.53 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.566 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.08 111.81 20.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.697 0.284 . . . . 0.0 110.748 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' A' ' 49' ' ' THR . 14.2 m -83.66 103.47 13.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.073 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.43 ' C ' ' HD1' ' A' ' 48' ' ' PHE . 19.1 mt-10 -134.62 164.66 27.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.193 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.527 ' N ' ' HD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -73.84 65.44 1.04 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.849 -179.556 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm 48.66 84.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.124 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.07 -6.33 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.31 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.423 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.592 0.234 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 3.7 t -104.02 127.56 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.954 0.407 . . . . 0.0 111.379 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -126.22 133.68 51.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.344 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 -12.08 15.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.334 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -167.73 174.77 7.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.834 0.349 . . . . 0.0 110.977 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttm -84.86 46.31 1.25 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.85 -12.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.996 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.72 165.59 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.045 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.3 p -158.52 84.85 0.84 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.476 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 40.0 m -103.41 93.84 5.26 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.845 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.24 -164.93 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.437 2.091 . . . . 0.0 112.815 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.83 131.28 35.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.435 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 89.33 -5.2 84.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.72 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 81.1 m-85 -111.77 158.14 19.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.138 0.494 . . . . 0.0 111.31 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 4.2 m -129.46 145.43 51.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.804 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 28.1 p -103.7 109.24 20.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.135 0.493 . . . . 0.0 110.826 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.37 131.75 45.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.173 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.453 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -54.25 155.35 3.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.638 -179.715 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.7 mt -139.65 105.47 5.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.061 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 63.23 19.4 11.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.414 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.42 6.35 1.91 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.778 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.48 -28.04 41.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.048 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 20' ' ' ARG . . . -176.57 -166.92 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.453 ' CE3' ' HG2' ' A' ' 20' ' ' ARG . 71.0 m95 -110.84 162.81 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.702 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -131.26 156.64 21.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.376 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 17' ' ' THR . 84.7 m -105.34 109.5 21.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.893 0.378 . . . . 0.0 111.242 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.537 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -104.23 124.61 36.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.253 179.498 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.516 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 91.9 Cg_endo -77.26 66.69 7.82 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.897 2.398 . . . . 0.0 112.954 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -163.08 173.31 13.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.988 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.2 t -82.24 159.64 23.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.074 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 60.55 -169.24 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.72 177.82 6.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.011 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.531 HG23 ' HZ ' ' A' ' 31' ' ' PHE . 13.6 t -144.05 -66.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.0 m . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.26 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.515 ' HB3' HG21 ' A' ' 35' ' ' VAL . 34.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 6.0 m -56.86 141.07 75.64 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.807 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 44' ' ' CYS . 2.7 Cg_exo -75.48 31.78 0.38 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.811 2.341 . . . . 0.0 112.274 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.47 125.34 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.56 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.1 -18.99 25.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.536 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.433 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 5.7 m-85 -119.91 169.85 9.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.59 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 26.3 p -126.08 136.0 52.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.433 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.501 ' HB2' HG13 ' A' ' 35' ' ' VAL . 9.2 t -84.22 102.96 13.02 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.106 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.52 ' HB2' ' HA ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -82.29 123.47 29.09 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.006 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.1 p -55.37 -28.28 52.88 Favored 'General case' 0 CA--C 1.522 -0.127 0 O-C-N 123.935 0.772 . . . . 0.0 112.048 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . 5.3 tt0 -51.69 -28.21 14.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.6 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.21 17.97 0.56 Allowed 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.91 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . 42.5 47.14 5.78 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 5.5 t -122.25 138.21 54.57 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 49' ' ' THR . 40.6 m -95.46 115.13 27.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.52 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -135.74 173.4 11.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.0 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 84.77 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.654 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.41 -164.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.957 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.85 66.9 0.86 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.565 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.52 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.693 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.669 ' HB3' ' HA ' ' A' ' 13' ' ' PRO . 15.5 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 4.1 t -91.02 87.57 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.202 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -93.58 108.64 20.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.736 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -18.08 60.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.003 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -155.26 -164.78 1.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.6 ptm -104.49 40.95 1.38 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -159.01 -29.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.503 HG21 ' HB2' ' A' ' 26' ' ' TRP . 57.9 t -103.05 133.37 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.792 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.6 t -123.2 97.21 5.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.976 0.417 . . . . 0.0 111.706 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.448 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 23.3 m -106.41 93.6 8.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.532 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.669 ' HA ' ' HB3' ' A' ' 3' ' ' ASP . 97.7 Cg_endo -76.05 -158.87 0.09 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.47 2.113 . . . . 0.0 112.882 -178.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -54.45 132.6 44.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.527 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.34 -14.42 57.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.61 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.499 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 60.3 m-85 -103.33 153.13 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.098 0.475 . . . . 0.0 111.712 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 5.6 t -128.3 149.91 50.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.954 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 8.7 p -104.4 114.1 28.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.004 0.431 . . . . 0.0 111.338 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 m -134.21 131.69 38.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.527 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 1.0 OUTLIER -54.42 143.2 24.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.909 0.385 . . . . 0.0 110.808 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 mt -104.43 -97.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.395 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.26 35.11 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.18 0.514 . . . . 0.0 109.707 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 54.81 17.05 1.62 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.111 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.53 -13.59 20.21 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.39 -172.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.443 -0.378 . . . . 0.0 110.174 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.503 ' HB2' HG21 ' A' ' 10' ' ' VAL . 72.3 m95 -110.4 159.98 16.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 110.982 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.471 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -123.07 150.39 16.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.574 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 17' ' ' THR . 96.0 m -104.77 110.53 22.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -105.51 122.06 44.03 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.477 179.609 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -78.88 53.84 4.86 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.825 2.35 . . . . 0.0 111.952 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.674 ' HB2' HG23 ' A' ' 35' ' ' VAL . 4.9 p90 -65.61 168.89 6.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.528 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.0 t -139.19 19.11 2.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.995 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -177.18 -66.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.226 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.96 108.22 0.07 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.054 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 31' ' ' PHE . 2.0 t -124.53 -37.94 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.246 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.279 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 44' ' ' CYS . 57.7 m . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 120.61 0.243 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 55.5 m 67.77 160.73 0.14 Allowed Pre-proline 0 N--CA 1.463 0.205 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.352 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -44.2 160.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.984 2.456 . . . . 0.0 112.947 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.95 154.23 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.546 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.65 -19.33 41.43 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.545 ' HD1' ' N ' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -84.2 177.48 8.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.078 0.466 . . . . 0.0 110.797 -179.495 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.555 ' H ' ' H ' ' A' ' 58' ' ' GLU . 54.5 m -158.9 130.22 6.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.812 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.9 110.79 18.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.199 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.435 ' OD1' ' HA ' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -83.42 124.33 30.57 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.562 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -14.07 2.72 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.957 0.786 . . . . 0.0 111.244 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -31.21 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.928 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -171.79 31.78 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.477 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.43 47.95 22.09 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.371 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.48 122.07 43.61 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 49' ' ' THR . 27.4 p -87.23 129.91 34.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.907 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.555 ' H ' ' H ' ' A' ' 49' ' ' THR . 3.6 pt-20 -143.49 132.56 22.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.288 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -59.96 79.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.84 -179.469 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 175.53 -91.82 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 61' ' ' LEU . 4.1 mt -164.48 178.96 7.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.714 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.435 ' HA ' ' OD1' ' A' ' 51' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.018 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.892 0.377 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.43 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 5.1 t -127.69 134.67 64.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.1 -160.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.53 -65.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.679 0.276 . . . . 0.0 111.175 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.407 ' HB2' ' NE1' ' A' ' 26' ' ' TRP . 1.9 t0 -113.09 30.58 7.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.021 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 mtt 54.18 35.24 22.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.07 -47.87 0.66 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.596 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.407 HG22 ' SG ' ' A' ' 28' ' ' CYS . 2.7 p -89.64 156.44 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.679 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.521 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.8 m -129.94 88.11 2.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.017 0.436 . . . . 0.0 111.46 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 60.1 m -95.29 100.31 5.69 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.462 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.521 ' HD3' ' O ' ' A' ' 11' ' ' SER . 97.1 Cg_endo -78.62 -154.13 0.05 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.382 2.054 . . . . 0.0 113.168 -178.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -54.53 123.95 14.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.786 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 89.91 -20.28 36.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.1 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.549 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 24.9 m-85 -93.3 151.4 19.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.155 0.502 . . . . 0.0 111.792 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.619 HG22 ' HB2' ' A' ' 29' ' ' CYS . 6.1 t -130.75 158.57 39.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.359 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 31.9 p -104.68 114.68 29.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.111 0.482 . . . . 0.0 111.503 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.47 127.39 37.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.359 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 143.41 19.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.313 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 23' ' ' SER . 25.3 mt -115.71 7.04 14.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.683 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.557 ' C ' ' H ' ' A' ' 24' ' ' GLY . 3.8 mp0 70.43 -17.57 0.27 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.635 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.468 ' H ' ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -73.54 26.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.203 0.525 . . . . 0.0 109.722 179.538 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' A' ' 22' ' ' GLN . . . 70.16 10.87 66.35 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.194 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.63 178.89 7.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.758 0.314 . . . . 0.0 111.085 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.407 ' NE1' ' HB2' ' A' ' 7' ' ' ASP . 71.8 m95 -107.59 165.06 11.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -126.61 155.31 19.51 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.562 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 17' ' ' THR . 34.3 m -105.46 119.17 38.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.902 0.382 . . . . 0.0 111.256 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.619 ' HB2' HG22 ' A' ' 17' ' ' THR . 1.3 m -111.46 111.6 54.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.378 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.519 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 57.9 Cg_endo -85.01 62.48 6.09 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.131 2.554 . . . . 0.0 112.359 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -115.18 -161.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.415 -179.257 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.2 p -122.7 57.53 1.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.33 . . . . 0.0 111.273 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 64.82 125.87 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.6 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.461 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . . . -171.17 -151.18 0.07 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.618 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.567 HG13 ' SG ' ' A' ' 57' ' ' CYS . 11.6 t -116.86 138.6 46.96 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 CA-C-O 120.68 0.276 . . . . 0.0 111.362 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.907 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.166 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.57 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.77 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.2 m . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.69 0.281 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.907 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -137.87 134.94 18.35 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.873 179.782 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.99 162.39 41.9 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.413 2.075 . . . . 0.0 112.081 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.432 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . . . 55.39 -170.7 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.204 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.3 50.5 4.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.671 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 9.3 m-30 -90.62 138.48 31.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.082 0.468 . . . . 0.0 111.694 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.644 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -131.37 165.53 23.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.732 178.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 96.2 m -83.25 131.46 35.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.945 0.402 . . . . 0.0 110.796 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.732 ' HB2' ' HB ' ' A' ' 56' ' ' THR . 1.2 m-20 -120.84 172.88 7.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.992 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.17 14.36 5.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.095 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.89 7.44 1.13 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.351 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -104.45 -68.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.985 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.14 38.15 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.648 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.732 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 32.4 m -84.85 104.03 14.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.774 0.321 . . . . 0.0 110.632 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.644 ' HA ' ' O ' ' A' ' 49' ' ' THR . 0.6 OUTLIER -83.45 114.84 21.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.369 -179.358 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 48' ' ' PHE . 2.3 pt-20 -151.29 169.78 21.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.811 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 98.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.421 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp 55.05 -160.19 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.492 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 67.02 147.44 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.467 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.818 179.82 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.661 ' HB2' ' HA ' ' A' ' 13' ' ' PRO . 5.7 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.718 0.294 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 3.5 t -76.42 91.65 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 110.706 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -94.68 128.91 41.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.451 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.462 ' HB2' HG11 ' A' ' 10' ' ' VAL . 1.6 m -118.31 120.18 36.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.983 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.22 -159.63 0.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.372 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.93 44.74 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.69 0.281 . . . . 0.0 111.166 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.15 22.61 0.11 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.258 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.462 HG11 ' HB2' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -148.1 159.44 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.975 179.795 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 t -151.91 90.79 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 3.2 m -105.09 93.32 6.35 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.403 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.661 ' HA ' ' HB2' ' A' ' 3' ' ' ASP . 84.9 Cg_endo -78.18 -163.45 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.569 2.179 . . . . 0.0 112.974 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.98 130.29 33.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.562 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.534 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 89.91 -1.1 80.26 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.589 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -114.09 155.56 25.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.085 0.469 . . . . 0.0 111.72 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 29' ' ' CYS . 14.7 t -121.68 146.83 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.002 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.8 111.84 24.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.893 0.378 . . . . 0.0 111.571 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -136.94 138.68 40.87 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.671 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 1.1 mmt85 -62.65 153.18 33.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.258 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.3 mt -105.99 -98.46 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.679 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -93.96 32.42 1.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 110.126 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.35 9.66 3.44 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.72 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.1 -15.14 16.93 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.153 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -169.0 179.73 3.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.748 0.309 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 20' ' ' ARG . 96.1 m95 -104.9 166.13 10.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.799 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.43 144.42 15.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.891 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 17' ' ' THR . 56.7 m -104.75 121.59 43.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.591 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.538 ' O ' HG22 ' A' ' 17' ' ' THR . 34.5 t -123.01 126.54 25.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.369 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.534 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 91.2 Cg_endo -78.68 52.23 4.11 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.656 2.237 . . . . 0.0 111.921 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.454 ' CE1' ' HB ' ' A' ' 17' ' ' THR . 0.8 OUTLIER -64.29 171.91 2.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.521 -179.509 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.4 p -139.61 62.2 1.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.927 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 61.17 48.98 5.84 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.366 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -141.99 -78.19 0.26 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.768 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.706 ' HB ' ' HB3' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -112.2 -172.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.936 -179.068 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.93 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.706 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 66.5 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.738 0.304 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 58.64 101.22 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.011 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.41 55.58 4.74 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.632 2.221 . . . . 0.0 112.589 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.6 147.53 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.57 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.61 -21.36 33.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.521 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.479 ' HD1' ' N ' ' A' ' 59' ' ' GLN . 1.3 m-85 -126.9 162.19 26.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.928 0.394 . . . . 0.0 111.358 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.575 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -137.28 169.56 17.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.817 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.459 ' HB3' ' CA ' ' A' ' 55' ' ' GLY . 59.9 m -83.96 115.98 22.58 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.601 0.563 . . . . 0.0 110.691 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.588 ' O ' ' HB ' ' A' ' 52' ' ' THR . 15.7 t0 179.87 -172.35 0.19 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.995 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER 101.99 -35.45 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 124.43 1.081 . . . . 0.0 111.426 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -178.44 -2.57 0.01 OUTLIER 'General case' 0 C--O 1.232 0.133 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -169.53 -44.84 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.219 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.459 ' CA ' ' HB3' ' A' ' 50' ' ' CYS . . . 153.7 45.25 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.058 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.6 p -84.44 138.79 32.62 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 49' ' ' THR . 15.7 m -82.74 104.73 13.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.853 0.359 . . . . 0.0 111.161 -179.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.46 ' C ' ' HB3' ' A' ' 48' ' ' PHE . 5.8 mm-40 -135.16 162.83 31.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.211 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.479 ' N ' ' HD1' ' A' ' 48' ' ' PHE . 5.8 tt0 -78.89 50.61 1.03 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.078 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.75 172.35 2.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.061 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' A' ' 61' ' ' LEU . 2.4 mm? 61.6 171.26 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.665 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.856 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.811 0.339 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.23 142.73 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.53 122.5 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.797 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -21.49 17.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.295 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.448 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -155.11 177.6 11.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.157 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ttm -86.67 41.0 0.93 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.994 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -160.7 -22.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.448 HG12 ' H ' ' A' ' 7' ' ' ASP . 2.9 p -96.55 156.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.488 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 4.5 p -148.64 86.18 1.52 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.003 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.5 m -100.32 97.58 6.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.05 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' ' 11' ' ' SER . 86.6 Cg_endo -78.74 -165.06 0.31 Allowed 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.515 2.143 . . . . 0.0 112.869 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -49.84 124.6 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.004 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 90.4 3.8 71.64 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.801 -0.636 . . . . 0.0 113.327 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 85.8 m-85 -119.58 156.24 30.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.075 0.464 . . . . 0.0 111.79 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.555 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 6.9 t -129.58 153.7 47.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.051 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 21.0 p -104.27 123.48 47.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.914 0.387 . . . . 0.0 111.356 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -141.54 132.69 26.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.412 HH11 ' HB3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -61.42 155.08 22.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.743 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.6 mt -123.35 -96.43 0.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.6 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.41 ' HG2' ' H ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -96.35 27.91 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.125 0.488 . . . . 0.0 110.109 179.308 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.23 0.17 1.61 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.201 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.0 -31.06 49.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.729 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.89 177.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.625 -0.287 . . . . 0.0 110.563 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.406 ' CE3' ' HG2' ' A' ' 20' ' ' ARG . 79.2 m95 -90.92 161.75 15.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.954 0.407 . . . . 0.0 110.807 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.485 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -125.84 150.4 17.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 17' ' ' THR . 71.2 m -106.62 113.58 27.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.942 0.401 . . . . 0.0 111.211 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -104.58 127.06 29.75 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.194 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.438 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 49.7 Cg_endo -72.53 34.54 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.538 2.159 . . . . 0.0 113.164 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.44 ' H ' ' C ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER 60.12 155.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.861 178.571 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.24 28.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.492 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 63.17 2.89 1.17 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.192 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.75 175.82 1.02 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.663 HG11 ' SG ' ' A' ' 44' ' ' CYS . 42.4 t 65.08 154.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.198 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.487 ' N ' HG12 ' A' ' 35' ' ' VAL . 1.6 p . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.029 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.438 ' SG ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.004 0.431 . . . . 0.0 110.163 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.663 ' SG ' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER 53.28 83.12 0.23 Allowed Pre-proline 0 C--O 1.232 0.141 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.501 -179.18 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.583 ' HG2' ' HE2' ' A' ' 48' ' ' PHE . 61.4 Cg_endo -73.3 69.33 4.1 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.926 2.417 . . . . 0.0 113.215 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.93 147.74 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.207 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.8 -23.59 7.53 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.99 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.583 ' HE2' ' HG2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -119.27 -178.12 3.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.212 0.529 . . . . 0.0 111.199 -179.496 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -164.27 163.44 22.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.246 179.631 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.562 ' HB3' ' HA2' ' A' ' 55' ' ' GLY . 3.1 m -83.95 113.23 20.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.076 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -128.33 -173.92 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.259 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p 64.5 17.14 10.68 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.507 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.63 11.9 0.98 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.457 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.66 -10.57 13.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.7 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.562 ' HA2' ' HB3' ' A' ' 50' ' ' CYS . . . 84.95 35.74 12.31 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.278 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.47 116.8 24.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.631 0.253 . . . . 0.0 110.954 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.56 ' HA ' ' O ' ' A' ' 49' ' ' THR . 55.8 m -83.31 109.25 17.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.008 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.477 ' C ' ' H ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -138.2 156.59 47.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 179.794 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.536 ' O ' ' HB3' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -75.25 37.12 0.12 Allowed 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.294 -179.57 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.536 ' HB3' ' O ' ' A' ' 59' ' ' GLN . 2.2 ptpt 169.3 -169.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.531 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.77 129.18 55.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.658 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.171 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.035 -179.833 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.701 0.286 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -118.8 27.01 9.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -70.71 -42.12 71.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.814 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.58 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 7.4 t -125.68 143.38 39.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' ' 10' ' ' VAL . 6.4 mttp -147.05 142.4 27.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.755 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -29.81 13.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.666 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.18 -171.79 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.717 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 mtt -92.75 46.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.93 -1.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.193 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.466 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -123.6 166.2 18.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.138 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.3 p -151.35 88.88 1.46 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.298 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.58 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -122.23 92.63 48.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.142 179.515 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' O ' ' HB2' ' A' ' 16' ' ' TYR . 91.7 Cg_endo -75.48 -156.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.981 2.454 . . . . 0.0 113.401 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.4 140.51 22.02 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.44 -11.71 62.86 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.669 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.525 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 87.2 m-85 -105.16 154.89 19.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.016 0.436 . . . . 0.0 111.206 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.501 ' HB ' ' SG ' ' A' ' 29' ' ' CYS . 8.4 m -122.45 149.15 44.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.279 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.1 m -103.81 108.93 20.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 t -125.23 130.55 52.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HG2' ' CH2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -75.46 145.62 41.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.224 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.7 177.9 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.399 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.534 ' C ' ' H ' ' A' ' 24' ' ' GLY . 7.3 pt20 -84.57 -5.25 59.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.168 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.24 25.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.821 0.343 . . . . 0.0 110.34 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' A' ' 22' ' ' GLN . . . 51.85 32.67 34.06 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.578 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -161.65 -172.7 3.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 111.261 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.406 ' CH2' ' HG2' ' A' ' 20' ' ' ARG . 81.5 m95 -101.53 171.24 7.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -131.19 140.6 11.92 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.535 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 12' ' ' CYS . 28.2 m -104.47 116.13 31.56 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -105.34 106.5 56.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.575 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.432 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 87.3 Cg_endo -78.8 65.37 8.76 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.967 2.445 . . . . 0.0 112.917 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.687 ' HZ ' ' HA ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -156.37 173.22 17.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.074 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.67 92.33 3.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.414 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.01 -157.28 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.56 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.17 95.21 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.893 0.377 . . . . 0.0 110.53 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.687 ' HA ' ' HZ ' ' A' ' 31' ' ' PHE . 24.2 m -67.82 133.38 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.823 -179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 47.62 44.07 16.91 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.309 179.815 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.3 t -162.37 164.07 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.998 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 57.17 -167.97 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.259 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.29 -140.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.712 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.443 ' C ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER 62.86 -95.31 0.05 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.118 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.443 HG13 ' C ' ' A' ' 40' ' ' HIS . 0.3 OUTLIER -135.02 104.97 5.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.34 137.17 43.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.804 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -1.42 12.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.802 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.441 ' C ' ' H ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -97.72 146.81 32.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.542 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HD2' ' CE2' ' A' ' 48' ' ' PHE . 15.6 Cg_exo -69.13 34.68 0.19 Allowed 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 122.99 2.46 . . . . 0.0 112.778 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' A' ' 44' ' ' CYS . . . 66.29 161.4 0.15 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.097 0.475 . . . . 0.0 111.999 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.54 1.77 83.3 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.417 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' HD2' ' A' ' 45' ' ' PRO . 7.0 m-85 -123.8 141.21 52.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 111.267 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.677 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -111.14 161.26 16.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.286 179.047 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.864 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 18.0 p -83.22 128.79 34.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.173 0.511 . . . . 0.0 111.233 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.481 ' OD2' ' HG ' ' A' ' 61' ' ' LEU . 3.1 m-20 -122.54 179.96 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.661 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 63.26 10.95 5.01 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.233 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 57.46 14.05 2.08 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -110.05 -38.0 5.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.681 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.864 ' HA2' ' HB2' ' A' ' 50' ' ' CYS . . . 128.3 40.82 0.29 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.806 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.55 113.14 25.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.73 0.265 . . . . 0.0 110.825 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.677 ' HA ' ' O ' ' A' ' 49' ' ' THR . 1.1 m -84.4 115.82 22.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.874 0.369 . . . . 0.0 111.312 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -156.6 82.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.137 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.487 ' H ' ' HD1' ' A' ' 48' ' ' PHE . 1.1 mp0 63.24 164.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.525 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.582 ' HA ' ' OG1' ' A' ' 49' ' ' THR . 7.5 ptmm? -61.15 135.58 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.021 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.481 ' HG ' ' OD2' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -141.93 -82.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -166.71 -10.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.409 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 64.3 109.3 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 55.88 72.71 0.47 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -77.22 121.42 23.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.961 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -119.65 -13.28 9.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.691 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -100.57 -178.32 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -119.33 -59.91 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -88.25 140.27 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.754 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -161.83 148.04 13.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -130.71 110.95 11.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.868 0.366 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.42 ' H ' ' HG2' ' A' ' 2' ' ' MET . 0.6 OUTLIER -101.85 40.57 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.105 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -72.37 130.89 41.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.669 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.7 t -94.25 110.48 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.334 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.61 ' HD2' ' HA ' ' A' ' 8' ' ' MET . 9.0 mtmm -99.58 132.36 44.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.33 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.4 m -123.13 17.38 9.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.365 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.546 ' HB2' ' CD1' ' A' ' 26' ' ' TRP . 20.2 t0 -173.7 13.69 0.01 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.273 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.61 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 3.4 mtt 55.08 33.24 19.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.163 0.506 . . . . 0.0 110.711 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -147.53 -41.44 0.18 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.432 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 20.0 m -84.75 174.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.617 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.79 100.32 2.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.066 0.46 . . . . 0.0 111.366 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 16' ' ' TYR . 10.1 m -113.51 85.19 8.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.557 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.84 -161.95 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.718 2.279 . . . . 0.0 113.34 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -49.42 134.46 18.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.609 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.591 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 84.48 0.5 89.35 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.392 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.542 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 98.3 m-85 -121.61 165.63 15.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.194 0.521 . . . . 0.0 111.569 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 2.7 t -143.21 158.99 43.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.499 178.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -104.35 124.15 48.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.309 0.576 . . . . 0.0 111.667 -179.236 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.95 124.87 27.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.045 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.39 153.19 12.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.205 0.526 . . . . 0.0 111.782 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.5 mt -138.08 103.42 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.572 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.27 17.36 6.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.26 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.0 t 63.66 3.51 1.55 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.692 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.16 -20.3 53.14 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.221 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.39 -171.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.696 0.284 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.546 ' CD1' ' HB2' ' A' ' 7' ' ' ASP . 88.2 m95 -115.01 166.17 12.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.703 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -132.83 153.02 20.5 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.754 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 17' ' ' THR . 75.7 m -105.32 110.21 22.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.894 0.378 . . . . 0.0 111.048 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -104.26 140.66 21.29 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.672 179.186 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.591 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 55.5 Cg_endo -74.66 39.2 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.242 1.962 . . . . 0.0 113.279 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 61.19 145.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.496 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.492 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -175.56 40.93 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.98 179.453 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 60.86 35.37 19.34 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.019 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.77 92.93 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.474 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.741 HG12 ' H ' ' A' ' 37' ' ' CYS . 86.9 t -115.69 -67.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.069 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 55.95 33.43 21.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.796 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.741 ' H ' HG12 ' A' ' 35' ' ' VAL . 2.1 t -161.23 -79.36 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.738 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.43 142.8 3.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.647 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.43 -56.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.972 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -147.41 -48.86 0.18 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.972 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -117.67 -2.22 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 63.25 165.41 0.12 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.952 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.26 -13.33 13.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.926 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 10.2 m -81.14 156.83 71.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.628 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.62 36.32 0.38 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.803 2.335 . . . . 0.0 112.624 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.02 127.22 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.61 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.9 -42.3 2.0 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.726 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.415 ' HB3' ' N ' ' A' ' 58' ' ' GLU . 5.3 m-85 -88.18 170.77 10.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 111.232 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.682 HG21 HD23 ' A' ' 61' ' ' LEU . 4.1 t -135.97 177.76 7.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.655 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.59 132.53 34.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.814 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.79 -176.37 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.46 14.38 5.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 58.45 13.56 2.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -117.46 -64.61 1.28 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.7 37.44 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.618 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.2 m -84.74 120.82 26.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.659 0.266 . . . . 0.0 110.716 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 49' ' ' THR . 92.6 m -84.31 112.08 19.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.957 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.415 ' N ' ' HB3' ' A' ' 48' ' ' PHE . 3.7 mt-10 -140.03 164.99 28.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 6.0 mt-30 -51.53 103.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.35 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER 54.76 179.77 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.696 179.639 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.682 HD23 HG21 ' A' ' 49' ' ' THR . 0.0 OUTLIER -83.26 145.08 29.32 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.816 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.27 -62.09 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.353 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.2 -158.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 59.57 -95.92 0.06 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.348 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 tp 62.57 170.6 0.14 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.971 0.415 . . . . 0.0 111.085 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -82.29 163.67 21.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -164.37 32.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.9 17.72 19.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -127.58 166.69 17.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.76 168.94 19.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -120.74 -4.51 9.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.5 m80 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.869 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.766 0.317 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 55.55 84.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.02 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -96.71 144.51 26.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 t -84.22 119.7 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.06 130.15 55.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.625 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.85 -44.92 3.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.197 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -135.88 179.08 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.33 . . . . 0.0 110.999 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.18 38.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -161.06 -35.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.41 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.798 HG21 ' HB2' ' A' ' 26' ' ' TRP . 24.1 t -89.7 129.69 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.718 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.5 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -131.75 95.76 3.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.504 -179.555 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.617 ' HB3' ' HB3' ' A' ' 16' ' ' TYR . 17.8 m -100.59 97.53 6.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.524 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' ' 11' ' ' SER . 92.7 Cg_endo -80.61 -156.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.551 2.167 . . . . 0.0 113.449 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.31 128.37 19.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.952 -179.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.58 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 81.22 8.01 87.76 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.824 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.617 ' HB3' ' HB3' ' A' ' 12' ' ' CYS . 92.9 m-85 -121.63 155.68 34.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.072 0.463 . . . . 0.0 111.306 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.538 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 98.0 m -127.07 138.48 53.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.234 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 13.7 p -103.8 114.22 28.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.212 0.53 . . . . 0.0 110.495 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -149.49 139.36 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.259 -179.184 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.535 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 15.2 mmt180 -53.15 147.58 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.5 mt -105.31 -87.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.558 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.39 28.16 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.324 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.48 9.19 4.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.117 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.16 -14.78 15.79 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.028 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -169.22 177.93 4.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.746 0.308 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.798 ' HB2' HG21 ' A' ' 10' ' ' VAL . 71.7 m95 -101.38 159.28 15.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -134.19 156.0 22.15 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.545 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 17' ' ' THR . 99.3 m -105.1 113.78 27.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 t -104.41 119.41 53.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.853 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.58 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 95.3 Cg_endo -74.52 66.79 5.55 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.866 2.377 . . . . 0.0 112.548 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.486 ' HZ ' ' H ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -161.98 -171.2 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.072 -179.747 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.22 129.95 34.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.51 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -46.33 111.46 0.37 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.901 0.381 . . . . 0.0 111.413 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.97 -62.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.6 ' HB ' ' HB3' ' A' ' 43' ' ' CYS . 0.2 OUTLIER -112.23 -177.65 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.864 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 1.9 m -147.99 -74.84 0.19 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.933 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.38 -151.97 0.07 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.464 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -80.33 -168.2 1.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.17 109.16 9.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.825 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.48 -35.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -165.23 -30.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.295 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -169.26 169.66 9.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.999 0.428 . . . . 0.0 111.308 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.6 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 56.5 m -94.87 72.14 3.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.364 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 82.0 m 66.63 144.55 0.09 OUTLIER Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.322 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.889 ' HD2' ' HB2' ' A' ' 48' ' ' PHE . 28.0 Cg_exo -62.14 -141.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.925 2.417 . . . . 0.0 112.668 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.08 -83.74 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.778 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.71 43.33 1.47 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.849 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.889 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . 0.7 OUTLIER -93.2 137.32 32.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.697 0.284 . . . . 0.0 110.293 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 1.1 m -102.53 131.98 48.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.274 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.658 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -85.1 127.42 34.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.141 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.448 ' HB2' ' H ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -84.5 134.23 34.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.894 179.452 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.727 HG22 ' HB1' ' A' ' 64' ' ' ALA . 8.8 t -49.15 -25.38 2.15 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.436 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 12.8 tt0 -52.98 -36.03 59.77 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.158 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -173.31 36.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.672 0.273 . . . . 0.0 110.859 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.658 ' HA2' ' HB2' ' A' ' 50' ' ' CYS . . . 53.08 46.99 61.3 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.239 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.549 ' C ' ' HA ' ' A' ' 50' ' ' CYS . 6.6 m -83.79 103.57 13.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 111.405 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 49' ' ' THR . 14.9 m -84.01 120.74 26.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -138.67 164.17 30.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.619 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -46.61 119.71 2.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.014 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.09 -175.89 0.13 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.894 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 pp -80.31 153.44 28.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.125 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.57 8.52 8.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 57.15 30.26 18.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.286 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.727 ' HB1' HG22 ' A' ' 52' ' ' THR . . . 61.05 105.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.411 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.448 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 9.1 mt -64.5 143.51 57.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -135.44 146.56 48.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 61.87 103.68 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.209 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -80.0 143.23 34.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.753 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -81.77 141.52 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.06 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -107.39 -148.11 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.449 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.9 129.84 46.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.825 0.345 . . . . 0.0 110.939 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.4 m80 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.884 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.755 0.312 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -131.23 125.87 34.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.88 158.84 36.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 21.8 t -100.12 115.52 41.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.62 135.28 52.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.7 m -140.67 118.31 11.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.74 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 61.8 167.83 0.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.954 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 mtm -92.8 56.33 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -171.67 -8.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.751 HG21 ' HB2' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -125.03 134.82 65.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.22 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.409 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 5.6 t -135.79 99.01 4.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.075 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 2.9 m -106.18 91.02 5.13 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.294 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 11' ' ' SER . 88.1 Cg_endo -78.96 -154.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.666 2.244 . . . . 0.0 112.897 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -56.46 133.11 52.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.464 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.456 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 84.96 -11.73 59.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.247 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.447 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 54.6 m-85 -104.46 153.49 21.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.011 0.434 . . . . 0.0 111.257 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 10.6 t -121.63 140.32 52.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.84 178.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.68 110.82 23.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.603 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 0.6 OUTLIER -148.45 142.36 25.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.374 -179.735 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.541 ' HE ' ' HA ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -57.13 152.86 12.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.788 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -108.36 -78.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.642 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -107.35 29.85 6.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.381 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.541 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 8.2 t 63.65 10.5 5.07 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.42 -11.36 9.7 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.306 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -167.83 161.35 13.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.864 0.364 . . . . 0.0 111.425 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.751 ' HB2' HG21 ' A' ' 10' ' ' VAL . 90.6 m95 -89.69 163.45 15.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.699 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.66 144.78 16.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.676 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.629 ' SG ' HG12 ' A' ' 10' ' ' VAL . 86.4 m -108.71 108.65 19.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 111.045 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.502 ' HB3' HG22 ' A' ' 17' ' ' THR . 0.5 OUTLIER -103.89 117.9 58.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.231 179.428 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 76.3 Cg_endo -78.67 69.84 7.6 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.097 2.531 . . . . 0.0 113.26 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.406 ' CE1' ' HB3' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -161.88 179.91 7.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.096 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.6 t -83.21 -175.29 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.739 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 56.41 -160.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.83 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.64 115.67 6.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 0.0 111.397 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.2 t -128.27 138.53 54.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -174.84 39.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.675 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.36 168.66 5.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.233 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.13 168.39 12.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 55.58 -161.99 0.16 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.97 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 57.21 -168.13 0.12 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.3 tp -143.01 -20.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.795 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -112.79 165.97 11.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.845 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 27.3 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.739 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.408 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 84.9 m 63.28 157.33 0.12 Allowed Pre-proline 0 CA--C 1.529 0.15 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.168 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.557 ' HG2' ' CG ' ' A' ' 48' ' ' PHE . 13.3 Cg_endo -57.19 -178.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.443 2.096 . . . . 0.0 112.172 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.6 128.28 35.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.033 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.8 -20.52 49.44 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.93 -0.652 . . . . 0.0 113.287 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.563 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 0.6 OUTLIER -83.46 110.11 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.085 0.469 . . . . 0.0 111.334 -179.093 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.625 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 2.2 m -104.74 143.87 32.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.388 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 0.8 OUTLIER -84.03 130.26 34.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.054 0.454 . . . . 0.0 110.999 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.763 ' HB2' ' HB ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -83.35 136.21 34.43 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.129 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.672 HG23 HD12 ' A' ' 65' ' ' LEU . 6.1 t -74.06 47.38 0.27 Allowed 'General case' 0 C--O 1.232 0.155 0 O-C-N 124.074 0.859 . . . . 0.0 111.779 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' HG2' ' HB3' ' A' ' 51' ' ' ASP . 5.1 pt20 -132.26 -27.98 1.74 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.127 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -174.07 32.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.837 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.08 51.03 52.93 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.763 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 1.4 m -84.23 103.8 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.625 ' HA ' ' O ' ' A' ' 49' ' ' THR . 2.8 m -85.36 120.31 26.7 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.563 ' O ' ' HA ' ' A' ' 48' ' ' PHE . 19.6 mt-10 -142.25 156.02 45.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.08 0.467 . . . . 0.0 112.035 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -54.31 111.74 0.84 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.165 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.7 mttt 64.85 -73.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.698 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 mp -57.02 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.913 0.387 . . . . 0.0 111.502 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 68.41 50.06 0.75 Allowed 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.987 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.46 -37.77 11.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.055 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.535 ' HA ' HG22 ' A' ' 52' ' ' THR . . . -165.24 77.42 0.29 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.075 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.672 HD12 HG23 ' A' ' 52' ' ' THR . 0.2 OUTLIER 66.78 147.51 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.233 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.45 -169.42 2.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.971 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -134.49 12.3 3.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 -144.85 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.2 m80 63.02 -171.72 0.17 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.829 0.347 . . . . 0.0 111.093 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.97 -5.9 25.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -113.94 173.22 6.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.964 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.4 p80 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.929 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.767 0.317 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.417 ' HB3' ' H ' ' A' ' 3' ' ' ASP . 27.0 mmm 55.49 -113.49 0.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.417 ' H ' ' HB3' ' A' ' 2' ' ' MET . 0.0 OUTLIER 64.56 141.05 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.038 0.446 . . . . 0.0 111.309 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.418 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 21.2 t -93.6 101.25 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HE2' ' O ' ' A' ' 10' ' ' VAL . 1.2 mmpt? -95.09 100.02 11.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.005 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.36 123.39 29.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.63 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 t0 61.66 14.57 6.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.047 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.9 mtt 51.69 39.03 24.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.975 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -139.73 -24.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.737 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.734 HG21 ' HB2' ' A' ' 26' ' ' TRP . 86.8 t -117.94 142.85 30.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.739 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.8 t -113.1 96.08 5.74 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.418 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 62.5 m -113.36 84.77 7.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -66.92 -165.33 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.702 2.268 . . . . 0.0 113.171 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -50.12 132.54 23.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.345 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 84.64 0.76 89.26 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.716 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 92.6 m-85 -116.47 153.07 32.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.161 0.505 . . . . 0.0 111.469 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.547 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 98.2 m -121.88 134.77 54.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.189 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 19.8 p -104.05 105.08 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.073 0.463 . . . . 0.0 111.056 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.07 139.39 44.71 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.281 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.481 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 0.8 OUTLIER -53.94 159.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.363 179.116 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.91 -26.18 7.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.404 0.621 . . . . 0.0 109.64 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 23' ' ' SER . 3.9 tt0 -172.09 -46.99 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.541 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 0.2 OUTLIER 170.25 -32.01 0.0 OUTLIER 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.144 179.802 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.76 -51.5 28.45 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.683 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -166.59 -165.99 0.81 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.784 0.326 . . . . 0.0 110.947 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.734 ' HB2' HG21 ' A' ' 10' ' ' VAL . 38.5 m95 -106.41 156.45 18.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -116.82 154.65 16.65 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.219 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 17' ' ' THR . 85.6 m -104.64 116.91 32.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.834 0.349 . . . . 0.0 111.362 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 1.3 t -103.53 114.16 65.05 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.734 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.52 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 87.3 Cg_endo -74.07 72.81 3.92 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.24 2.626 . . . . 0.0 113.211 -178.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -165.88 -170.26 1.72 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.573 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -158.79 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.872 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.0 -165.51 1.03 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.632 0.253 . . . . 0.0 111.259 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 35' ' ' VAL . . . 69.61 86.05 0.13 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.603 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.493 HG11 ' O ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -160.88 -177.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.867 179.567 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.0 m 58.53 25.33 12.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.185 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.0 m -54.19 -64.69 0.75 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -116.14 -10.89 11.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.39 -179.43 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.788 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -159.68 49.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.721 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -163.09 -13.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.29 98.95 4.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.493 ' O ' HG11 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -82.39 26.9 0.52 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 96.7 m 64.01 142.53 0.07 OUTLIER Pre-proline 0 N--CA 1.463 0.208 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.308 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -56.78 163.76 6.85 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.511 2.14 . . . . 0.0 112.184 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.55 121.74 15.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.323 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.58 -22.72 14.54 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.784 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.527 ' HD1' ' N ' ' A' ' 59' ' ' GLN . 7.0 m-85 -114.83 159.12 21.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.108 0.48 . . . . 0.0 111.68 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 9.3 t -132.52 172.82 12.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.403 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 115.25 22.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.939 0.399 . . . . 0.0 110.449 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.487 ' OD1' HG23 ' A' ' 49' ' ' THR . 12.9 m-20 -110.35 168.38 9.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.28 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 62.94 10.49 4.41 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.492 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.17 6.46 0.71 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.243 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 -38.51 9.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.361 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.29 33.48 0.53 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.566 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.08 111.81 20.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.697 0.284 . . . . 0.0 110.748 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' A' ' 49' ' ' THR . 14.2 m -83.66 103.47 13.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.073 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.43 ' C ' ' HD1' ' A' ' 48' ' ' PHE . 19.1 mt-10 -134.62 164.66 27.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.193 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.527 ' N ' ' HD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -73.84 65.44 1.04 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.849 -179.556 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm 48.66 84.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.124 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.07 -6.33 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.31 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -160.32 2.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.423 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.12 -87.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.35 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.42 70.71 0.61 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.237 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 54.83 81.53 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.969 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -157.48 -59.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -66.76 159.0 28.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.57 168.64 10.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -131.72 -173.73 3.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -95.7 75.74 3.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -121.24 178.32 4.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.973 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.755 0.312 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 46.8 mtm 58.8 95.57 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.73 -61.07 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.161 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 3.7 t -104.02 127.56 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.954 0.407 . . . . 0.0 111.379 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -126.22 133.68 51.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.344 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 -12.08 15.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.334 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -167.73 174.77 7.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.834 0.349 . . . . 0.0 110.977 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttm -84.86 46.31 1.25 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.85 -12.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.996 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.72 165.59 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.045 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.3 p -158.52 84.85 0.84 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.476 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 40.0 m -103.41 93.84 5.26 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.845 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.24 -164.93 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.437 2.091 . . . . 0.0 112.815 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.83 131.28 35.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.435 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 89.33 -5.2 84.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.72 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 81.1 m-85 -111.77 158.14 19.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.138 0.494 . . . . 0.0 111.31 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 4.2 m -129.46 145.43 51.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.804 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 28.1 p -103.7 109.24 20.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.135 0.493 . . . . 0.0 110.826 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.37 131.75 45.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.173 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.453 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -54.25 155.35 3.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.638 -179.715 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.7 mt -139.65 105.47 5.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.061 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 63.23 19.4 11.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.414 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.42 6.35 1.91 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.778 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.48 -28.04 41.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.048 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 20' ' ' ARG . . . -176.57 -166.92 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.453 ' CE3' ' HG2' ' A' ' 20' ' ' ARG . 71.0 m95 -110.84 162.81 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.702 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -131.26 156.64 21.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.376 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 17' ' ' THR . 84.7 m -105.34 109.5 21.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.893 0.378 . . . . 0.0 111.242 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.537 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -104.23 124.61 36.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.253 179.498 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.516 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 91.9 Cg_endo -77.26 66.69 7.82 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.897 2.398 . . . . 0.0 112.954 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -163.08 173.31 13.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.988 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.2 t -82.24 159.64 23.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.074 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 60.55 -169.24 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.72 177.82 6.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.011 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.531 HG23 ' HZ ' ' A' ' 31' ' ' PHE . 13.6 t -144.05 -66.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.0 m 62.87 95.36 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.26 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.412 ' HB3' ' H ' ' A' ' 38' ' ' GLU . 58.2 m -116.2 -146.1 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.285 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.412 ' H ' ' HB3' ' A' ' 37' ' ' CYS . 6.1 mt-10 -137.95 164.89 27.89 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.75 0.309 . . . . 0.0 111.201 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 t70 62.65 166.78 0.12 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.456 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -69.06 100.29 1.22 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.581 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.446 HG13 ' H ' ' A' ' 42' ' ' HIS . 0.5 OUTLIER -170.94 159.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.446 ' H ' HG13 ' A' ' 41' ' ' ILE . 40.5 p-80 -82.52 170.71 14.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.087 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.515 ' HB3' HG21 ' A' ' 35' ' ' VAL . 34.5 m -63.0 177.27 0.6 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 6.0 m -56.86 141.07 75.64 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.807 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 44' ' ' CYS . 2.7 Cg_exo -75.48 31.78 0.38 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.811 2.341 . . . . 0.0 112.274 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.47 125.34 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.56 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.1 -18.99 25.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.536 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.433 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 5.7 m-85 -119.91 169.85 9.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.59 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 26.3 p -126.08 136.0 52.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.433 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.501 ' HB2' HG13 ' A' ' 35' ' ' VAL . 9.2 t -84.22 102.96 13.02 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.106 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.52 ' HB2' ' HA ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -82.29 123.47 29.09 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.006 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.1 p -55.37 -28.28 52.88 Favored 'General case' 0 CA--C 1.522 -0.127 0 O-C-N 123.935 0.772 . . . . 0.0 112.048 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.556 ' HB2' ' HB3' ' A' ' 64' ' ' ALA . 5.3 tt0 -51.69 -28.21 14.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.6 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.21 17.97 0.56 Allowed 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.91 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . 42.5 47.14 5.78 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 5.5 t -122.25 138.21 54.57 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 49' ' ' THR . 40.6 m -95.46 115.13 27.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.52 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -135.74 173.4 11.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.0 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 84.77 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.654 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.41 -164.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.957 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.85 66.9 0.86 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.565 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.664 ' HB1' ' HB2' ' A' ' 65' ' ' LEU . . . -90.91 -47.34 7.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.693 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 63.72 -96.14 0.05 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.022 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -41.24 -41.47 1.87 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.664 ' HB2' ' HB1' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -35.64 112.14 0.15 Allowed 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.305 0.378 . . . . 0.0 111.95 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 55.41 51.64 12.58 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.768 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.6 m80 47.9 81.56 0.05 OUTLIER 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.359 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 56.92 -171.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.052 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.46 -2.75 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.782 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -89.1 -27.22 20.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.796 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.4 t60 55.27 62.54 2.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.72 0.295 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.68 -148.04 0.5 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.789 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.669 ' HB3' ' HA ' ' A' ' 13' ' ' PRO . 15.5 m-20 63.17 176.14 0.15 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 4.1 t -91.02 87.57 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.202 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -93.58 108.64 20.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.736 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -18.08 60.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.003 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -155.26 -164.78 1.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.6 ptm -104.49 40.95 1.38 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -159.01 -29.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.503 HG21 ' HB2' ' A' ' 26' ' ' TRP . 57.9 t -103.05 133.37 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.792 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.6 t -123.2 97.21 5.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.976 0.417 . . . . 0.0 111.706 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.448 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 23.3 m -106.41 93.6 8.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.532 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.669 ' HA ' ' HB3' ' A' ' 3' ' ' ASP . 97.7 Cg_endo -76.05 -158.87 0.09 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.47 2.113 . . . . 0.0 112.882 -178.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -54.45 132.6 44.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.527 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.34 -14.42 57.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.61 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.499 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 60.3 m-85 -103.33 153.13 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.098 0.475 . . . . 0.0 111.712 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 5.6 t -128.3 149.91 50.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.954 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 8.7 p -104.4 114.1 28.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.004 0.431 . . . . 0.0 111.338 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 m -134.21 131.69 38.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.527 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 1.0 OUTLIER -54.42 143.2 24.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.909 0.385 . . . . 0.0 110.808 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 mt -104.43 -97.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.395 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.26 35.11 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.18 0.514 . . . . 0.0 109.707 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 54.81 17.05 1.62 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.111 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.53 -13.59 20.21 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.39 -172.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.443 -0.378 . . . . 0.0 110.174 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.503 ' HB2' HG21 ' A' ' 10' ' ' VAL . 72.3 m95 -110.4 159.98 16.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 110.982 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.471 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -123.07 150.39 16.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.574 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 17' ' ' THR . 96.0 m -104.77 110.53 22.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -105.51 122.06 44.03 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.477 179.609 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -78.88 53.84 4.86 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.825 2.35 . . . . 0.0 111.952 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.674 ' HB2' HG23 ' A' ' 35' ' ' VAL . 4.9 p90 -65.61 168.89 6.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.528 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.0 t -139.19 19.11 2.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.995 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -177.18 -66.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.226 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.96 108.22 0.07 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.054 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 31' ' ' PHE . 2.0 t -124.53 -37.94 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.246 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.1 m -53.97 -39.7 66.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.279 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 80.0 m 60.8 123.18 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.354 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -63.38 -110.95 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.253 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 52.95 -91.58 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.797 0.332 . . . . 0.0 110.928 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -168.74 36.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.414 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.2 -175.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.723 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -137.9 -175.0 3.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.376 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 44' ' ' CYS . 57.7 m -45.35 -21.62 0.1 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.205 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 55.5 m 67.77 160.73 0.14 Allowed Pre-proline 0 N--CA 1.463 0.205 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.352 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -44.2 160.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.984 2.456 . . . . 0.0 112.947 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.95 154.23 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.546 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.65 -19.33 41.43 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.545 ' HD1' ' N ' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -84.2 177.48 8.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.078 0.466 . . . . 0.0 110.797 -179.495 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.555 ' H ' ' H ' ' A' ' 58' ' ' GLU . 54.5 m -158.9 130.22 6.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.812 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.9 110.79 18.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.199 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.435 ' OD1' ' HA ' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -83.42 124.33 30.57 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.562 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -14.07 2.72 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.957 0.786 . . . . 0.0 111.244 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.501 ' HG3' ' HB1' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -58.3 -31.21 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.928 179.491 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -171.79 31.78 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.477 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.43 47.95 22.09 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.371 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.48 122.07 43.61 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 49' ' ' THR . 27.4 p -87.23 129.91 34.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.907 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.555 ' H ' ' H ' ' A' ' 49' ' ' THR . 3.6 pt-20 -143.49 132.56 22.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.288 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -59.96 79.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.84 -179.469 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 175.53 -91.82 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 61' ' ' LEU . 4.1 mt -164.48 178.96 7.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.714 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.486 ' HB3' ' HG3' ' A' ' 66' ' ' GLU . . . -86.12 74.46 10.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.018 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.31 -24.73 67.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.501 ' HB1' ' HG3' ' A' ' 53' ' ' GLN . . . -79.59 -63.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.219 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 mt -136.98 110.17 7.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.486 ' HG3' ' HB3' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -130.64 129.05 42.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.977 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -101.41 -79.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -142.4 109.04 5.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.845 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.401 ' HB3' ' H ' ' A' ' 70' ' ' HIS . 11.7 t60 -71.53 -83.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.996 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.401 ' H ' ' HB3' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -154.34 -57.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.4 m80 66.01 138.06 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.214 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 m170 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.975 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 120.797 0.332 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.26 -164.99 0.98 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -115.5 167.24 11.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.43 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 5.1 t -127.69 134.67 64.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.1 -160.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.53 -65.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.679 0.276 . . . . 0.0 111.175 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.407 ' HB2' ' NE1' ' A' ' 26' ' ' TRP . 1.9 t0 -113.09 30.58 7.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.021 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 mtt 54.18 35.24 22.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.07 -47.87 0.66 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.596 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.407 HG22 ' SG ' ' A' ' 28' ' ' CYS . 2.7 p -89.64 156.44 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.679 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.521 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.8 m -129.94 88.11 2.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.017 0.436 . . . . 0.0 111.46 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 60.1 m -95.29 100.31 5.69 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.462 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.521 ' HD3' ' O ' ' A' ' 11' ' ' SER . 97.1 Cg_endo -78.62 -154.13 0.05 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.382 2.054 . . . . 0.0 113.168 -178.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -54.53 123.95 14.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.786 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 89.91 -20.28 36.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.1 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.549 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 24.9 m-85 -93.3 151.4 19.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.155 0.502 . . . . 0.0 111.792 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.619 HG22 ' HB2' ' A' ' 29' ' ' CYS . 6.1 t -130.75 158.57 39.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.359 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 31.9 p -104.68 114.68 29.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.111 0.482 . . . . 0.0 111.503 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.47 127.39 37.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.359 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 143.41 19.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.313 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 23' ' ' SER . 25.3 mt -115.71 7.04 14.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.683 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.557 ' C ' ' H ' ' A' ' 24' ' ' GLY . 3.8 mp0 70.43 -17.57 0.27 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.635 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.468 ' H ' ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -73.54 26.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.203 0.525 . . . . 0.0 109.722 179.538 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' A' ' 22' ' ' GLN . . . 70.16 10.87 66.35 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.194 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.63 178.89 7.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.758 0.314 . . . . 0.0 111.085 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.407 ' NE1' ' HB2' ' A' ' 7' ' ' ASP . 71.8 m95 -107.59 165.06 11.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -126.61 155.31 19.51 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.562 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 17' ' ' THR . 34.3 m -105.46 119.17 38.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.902 0.382 . . . . 0.0 111.256 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.619 ' HB2' HG22 ' A' ' 17' ' ' THR . 1.3 m -111.46 111.6 54.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.378 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.519 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 57.9 Cg_endo -85.01 62.48 6.09 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.131 2.554 . . . . 0.0 112.359 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -115.18 -161.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.415 -179.257 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.2 p -122.7 57.53 1.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.33 . . . . 0.0 111.273 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 64.82 125.87 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.6 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.461 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . . . -171.17 -151.18 0.07 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.618 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.592 ' O ' ' HB3' ' A' ' 42' ' ' HIS . 11.6 t -116.86 138.6 46.96 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 CA-C-O 120.68 0.276 . . . . 0.0 111.362 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.907 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -71.78 15.97 0.13 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.57 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.447 ' H ' ' C ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -72.86 163.07 28.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.74 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 57.32 -169.12 0.11 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.87 95.59 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -159.87 -48.21 0.05 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.602 HD13 ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -169.11 -27.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.592 ' HB3' ' O ' ' A' ' 35' ' ' VAL . 70.6 m80 -54.23 161.29 1.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.225 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.77 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.2 m -166.89 171.32 11.39 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.099 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.907 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -137.87 134.94 18.35 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.873 179.782 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.99 162.39 41.9 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.413 2.075 . . . . 0.0 112.081 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . . . 55.39 -170.7 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.204 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.3 50.5 4.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.671 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 9.3 m-30 -90.62 138.48 31.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.082 0.468 . . . . 0.0 111.694 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.644 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -131.37 165.53 23.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.732 178.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 96.2 m -83.25 131.46 35.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.945 0.402 . . . . 0.0 110.796 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.732 ' HB2' ' HB ' ' A' ' 56' ' ' THR . 1.2 m-20 -120.84 172.88 7.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.992 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.17 14.36 5.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.095 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.598 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . 0.0 OUTLIER 59.89 7.44 1.13 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.351 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -104.45 -68.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.985 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.14 38.15 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.648 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.732 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 32.4 m -84.85 104.03 14.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.774 0.321 . . . . 0.0 110.632 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.644 ' HA ' ' O ' ' A' ' 49' ' ' THR . 0.6 OUTLIER -83.45 114.84 21.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.369 -179.358 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 48' ' ' PHE . 2.3 pt-20 -151.29 169.78 21.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.811 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 98.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.421 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp 55.05 -160.19 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.492 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 67.02 147.44 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.467 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -153.8 -56.95 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.818 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.25 -86.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.803 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.598 ' HB1' ' HB2' ' A' ' 53' ' ' GLN . . . -49.8 -47.76 51.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.573 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.509 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -63.88 140.74 58.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.939 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.64 -166.87 1.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.24 -79.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.59 -55.77 0.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.808 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.68 108.2 6.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.67 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.54 ' HB3' ' H ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -77.71 -101.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.045 -179.727 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.54 ' H ' ' HB3' ' A' ' 70' ' ' HIS . 7.1 m-70 -131.13 -51.2 1.02 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.752 0.31 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.85 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.841 0.353 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.13 97.77 11.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.661 ' HB2' ' HA ' ' A' ' 13' ' ' PRO . 5.7 p30 -133.35 174.42 10.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.824 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 3.5 t -76.42 91.65 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 110.706 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -94.68 128.91 41.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.451 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.462 ' HB2' HG11 ' A' ' 10' ' ' VAL . 1.6 m -118.31 120.18 36.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.983 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.22 -159.63 0.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.372 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.93 44.74 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.69 0.281 . . . . 0.0 111.166 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.15 22.61 0.11 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.258 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.462 HG11 ' HB2' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -148.1 159.44 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.975 179.795 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 t -151.91 90.79 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 3.2 m -105.09 93.32 6.35 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.403 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.661 ' HA ' ' HB2' ' A' ' 3' ' ' ASP . 84.9 Cg_endo -78.18 -163.45 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.569 2.179 . . . . 0.0 112.974 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.98 130.29 33.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.562 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.534 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 89.91 -1.1 80.26 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.589 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -114.09 155.56 25.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.085 0.469 . . . . 0.0 111.72 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 29' ' ' CYS . 14.7 t -121.68 146.83 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.002 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.8 111.84 24.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.893 0.378 . . . . 0.0 111.571 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -136.94 138.68 40.87 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.671 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 1.1 mmt85 -62.65 153.18 33.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.258 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.3 mt -105.99 -98.46 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.679 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -93.96 32.42 1.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 110.126 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.35 9.66 3.44 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.72 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.1 -15.14 16.93 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.153 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -169.0 179.73 3.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.748 0.309 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 20' ' ' ARG . 96.1 m95 -104.9 166.13 10.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.799 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.43 144.42 15.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.891 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 17' ' ' THR . 56.7 m -104.75 121.59 43.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.591 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.538 ' O ' HG22 ' A' ' 17' ' ' THR . 34.5 t -123.01 126.54 25.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.369 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.534 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 91.2 Cg_endo -78.68 52.23 4.11 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.656 2.237 . . . . 0.0 111.921 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.454 ' CE1' ' HB ' ' A' ' 17' ' ' THR . 0.8 OUTLIER -64.29 171.91 2.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.521 -179.509 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.4 p -139.61 62.2 1.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.927 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 61.17 48.98 5.84 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.366 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -141.99 -78.19 0.26 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.768 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.706 ' HB ' ' HB3' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -112.2 -172.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.936 -179.068 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' H ' ' H ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -170.14 -24.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.93 179.715 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' H ' ' H ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -78.44 119.33 21.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.646 179.756 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -85.25 137.7 32.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.223 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -102.24 -50.22 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.573 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.438 ' C ' HG13 ' A' ' 41' ' ' ILE . 2.3 t60 -135.1 -62.55 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.438 HG13 ' C ' ' A' ' 40' ' ' HIS . 0.2 OUTLIER -136.53 -10.96 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.298 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -146.7 167.07 24.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.886 0.374 . . . . 0.0 111.125 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.706 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 66.5 m -80.33 71.76 7.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 58.64 101.22 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.011 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.41 55.58 4.74 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.632 2.221 . . . . 0.0 112.589 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.6 147.53 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.57 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.61 -21.36 33.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.521 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.479 ' HD1' ' N ' ' A' ' 59' ' ' GLN . 1.3 m-85 -126.9 162.19 26.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.928 0.394 . . . . 0.0 111.358 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.575 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -137.28 169.56 17.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.817 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.459 ' HB3' ' CA ' ' A' ' 55' ' ' GLY . 59.9 m -83.96 115.98 22.58 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.601 0.563 . . . . 0.0 110.691 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.588 ' O ' ' HB ' ' A' ' 52' ' ' THR . 15.7 t0 179.87 -172.35 0.19 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.995 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER 101.99 -35.45 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 124.43 1.081 . . . . 0.0 111.426 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -178.44 -2.57 0.01 OUTLIER 'General case' 0 C--O 1.232 0.133 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -169.53 -44.84 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.219 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.459 ' CA ' ' HB3' ' A' ' 50' ' ' CYS . . . 153.7 45.25 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.058 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.6 p -84.44 138.79 32.62 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 49' ' ' THR . 15.7 m -82.74 104.73 13.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.853 0.359 . . . . 0.0 111.161 -179.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.46 ' C ' ' HB3' ' A' ' 48' ' ' PHE . 5.8 mm-40 -135.16 162.83 31.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.211 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.479 ' N ' ' HD1' ' A' ' 48' ' ' PHE . 5.8 tt0 -78.89 50.61 1.03 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.078 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.75 172.35 2.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.061 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' A' ' 61' ' ' LEU . 2.4 mm? 61.6 171.26 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.665 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -167.8 137.24 2.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 65.05 140.55 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.294 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.85 94.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.454 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 47.75 73.29 0.21 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.304 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.03 70.31 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.455 ' HB3' ' H ' ' A' ' 68' ' ' HIS . 0.3 OUTLIER 51.7 -146.38 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.455 ' H ' ' HB3' ' A' ' 67' ' ' HIS . 10.3 p80 -149.91 -41.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.369 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -136.19 -166.54 1.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 58.42 -172.76 0.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.89 -163.67 0.17 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.071 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.166 -0.921 . . . . 0.0 110.919 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.759 0.314 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.43 107.09 17.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -160.04 123.05 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.23 142.73 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.53 122.5 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.797 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -21.49 17.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.295 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.448 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -155.11 177.6 11.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.157 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ttm -86.67 41.0 0.93 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.994 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -160.7 -22.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.448 HG12 ' H ' ' A' ' 7' ' ' ASP . 2.9 p -96.55 156.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.488 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 4.5 p -148.64 86.18 1.52 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.003 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.5 m -100.32 97.58 6.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.05 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' ' 11' ' ' SER . 86.6 Cg_endo -78.74 -165.06 0.31 Allowed 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.515 2.143 . . . . 0.0 112.869 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -49.84 124.6 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.004 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 90.4 3.8 71.64 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.801 -0.636 . . . . 0.0 113.327 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 85.8 m-85 -119.58 156.24 30.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.075 0.464 . . . . 0.0 111.79 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.555 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 6.9 t -129.58 153.7 47.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.051 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 21.0 p -104.27 123.48 47.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.914 0.387 . . . . 0.0 111.356 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -141.54 132.69 26.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.412 HH11 ' HB3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -61.42 155.08 22.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.743 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.6 mt -123.35 -96.43 0.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.6 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.41 ' HG2' ' H ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -96.35 27.91 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.125 0.488 . . . . 0.0 110.109 179.308 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.23 0.17 1.61 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.201 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.0 -31.06 49.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.729 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.89 177.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.625 -0.287 . . . . 0.0 110.563 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.406 ' CE3' ' HG2' ' A' ' 20' ' ' ARG . 79.2 m95 -90.92 161.75 15.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.954 0.407 . . . . 0.0 110.807 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.485 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -125.84 150.4 17.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 17' ' ' THR . 71.2 m -106.62 113.58 27.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.942 0.401 . . . . 0.0 111.211 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -104.58 127.06 29.75 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.194 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.438 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 49.7 Cg_endo -72.53 34.54 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.538 2.159 . . . . 0.0 113.164 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.44 ' H ' ' C ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER 60.12 155.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.861 178.571 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.24 28.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.492 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 63.17 2.89 1.17 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.192 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.75 175.82 1.02 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.663 HG11 ' SG ' ' A' ' 44' ' ' CYS . 42.4 t 65.08 154.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.198 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.487 ' N ' HG12 ' A' ' 35' ' ' VAL . 1.6 p -160.65 6.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.029 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.54 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -103.69 106.16 16.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.533 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -167.42 139.94 3.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.201 0.524 . . . . 0.0 111.655 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.11 75.38 1.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.605 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.9 t60 68.62 46.88 0.92 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.432 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 1.1 tt -154.86 18.99 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.208 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 41' ' ' ILE . 9.6 m170 67.05 156.0 0.1 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.663 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.438 ' SG ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.9 55.45 3.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.163 179.68 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.663 ' SG ' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER 53.28 83.12 0.23 Allowed Pre-proline 0 C--O 1.232 0.141 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.501 -179.18 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.583 ' HG2' ' HE2' ' A' ' 48' ' ' PHE . 61.4 Cg_endo -73.3 69.33 4.1 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.926 2.417 . . . . 0.0 113.215 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.93 147.74 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.207 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.8 -23.59 7.53 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.99 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.583 ' HE2' ' HG2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -119.27 -178.12 3.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.212 0.529 . . . . 0.0 111.199 -179.496 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -164.27 163.44 22.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.246 179.631 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.562 ' HB3' ' HA2' ' A' ' 55' ' ' GLY . 3.1 m -83.95 113.23 20.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.076 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -128.33 -173.92 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.259 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.665 HG21 ' HB2' ' A' ' 65' ' ' LEU . 1.4 p 64.5 17.14 10.68 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.507 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.63 11.9 0.98 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.457 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.66 -10.57 13.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.7 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.562 ' HA2' ' HB3' ' A' ' 50' ' ' CYS . . . 84.95 35.74 12.31 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.278 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.47 116.8 24.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.631 0.253 . . . . 0.0 110.954 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.56 ' HA ' ' O ' ' A' ' 49' ' ' THR . 55.8 m -83.31 109.25 17.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.008 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.477 ' C ' ' H ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -138.2 156.59 47.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 179.794 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.536 ' O ' ' HB3' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -75.25 37.12 0.12 Allowed 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.294 -179.57 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.536 ' HB3' ' O ' ' A' ' 59' ' ' GLN . 2.2 ptpt 169.3 -169.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.531 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.77 129.18 55.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.658 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -121.65 -40.24 2.57 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.035 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.503 ' HA ' HG22 ' A' ' 52' ' ' THR . . . 64.77 158.43 0.09 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.609 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 60.81 23.5 13.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.743 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.665 ' HB2' HG21 ' A' ' 52' ' ' THR . 0.8 OUTLIER -57.92 154.22 12.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.71 0.29 . . . . 0.0 110.939 179.778 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.24 -174.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.034 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.92 -167.29 0.47 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -80.4 157.63 26.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.831 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -115.25 83.77 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.8 76.79 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.605 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -88.92 20.17 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.897 179.896 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.9 t0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.783 0.325 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.58 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 7.4 t -125.68 143.38 39.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' ' 10' ' ' VAL . 6.4 mttp -147.05 142.4 27.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.755 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -29.81 13.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.666 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.18 -171.79 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.717 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 mtt -92.75 46.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.93 -1.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.193 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.466 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -123.6 166.2 18.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.138 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.3 p -151.35 88.88 1.46 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.298 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.58 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -122.23 92.63 48.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.142 179.515 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.418 ' O ' ' HB2' ' A' ' 16' ' ' TYR . 91.7 Cg_endo -75.48 -156.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.981 2.454 . . . . 0.0 113.401 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.4 140.51 22.02 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.44 -11.71 62.86 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.669 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.525 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 87.2 m-85 -105.16 154.89 19.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.016 0.436 . . . . 0.0 111.206 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.501 ' HB ' ' SG ' ' A' ' 29' ' ' CYS . 8.4 m -122.45 149.15 44.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.279 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.1 m -103.81 108.93 20.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 t -125.23 130.55 52.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HG2' ' CH2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -75.46 145.62 41.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.224 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.7 177.9 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.399 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.534 ' C ' ' H ' ' A' ' 24' ' ' GLY . 7.3 pt20 -84.57 -5.25 59.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.168 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.24 25.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.821 0.343 . . . . 0.0 110.34 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' A' ' 22' ' ' GLN . . . 51.85 32.67 34.06 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.578 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -161.65 -172.7 3.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 111.261 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.406 ' CH2' ' HG2' ' A' ' 20' ' ' ARG . 81.5 m95 -101.53 171.24 7.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -131.19 140.6 11.92 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.535 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 12' ' ' CYS . 28.2 m -104.47 116.13 31.56 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -105.34 106.5 56.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.575 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.432 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 87.3 Cg_endo -78.8 65.37 8.76 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.967 2.445 . . . . 0.0 112.917 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.687 ' HZ ' ' HA ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -156.37 173.22 17.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.074 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.67 92.33 3.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.414 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.01 -157.28 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.56 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.17 95.21 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.893 0.377 . . . . 0.0 110.53 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.687 ' HA ' ' HZ ' ' A' ' 31' ' ' PHE . 24.2 m -67.82 133.38 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.823 -179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.333 -0.138 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.309 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.93 0.395 . . . . 0.0 110.802 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.441 ' C ' ' H ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -97.72 146.81 32.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.542 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HD2' ' CE2' ' A' ' 48' ' ' PHE . 15.6 Cg_exo -69.13 34.68 0.19 Allowed 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 122.99 2.46 . . . . 0.0 112.778 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' A' ' 44' ' ' CYS . . . 66.29 161.4 0.15 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.097 0.475 . . . . 0.0 111.999 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.54 1.77 83.3 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.417 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' HD2' ' A' ' 45' ' ' PRO . 7.0 m-85 -123.8 141.21 52.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 111.267 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.677 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -111.14 161.26 16.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.286 179.047 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.864 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 18.0 p -83.22 128.79 34.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.173 0.511 . . . . 0.0 111.233 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.481 ' OD2' ' HG ' ' A' ' 61' ' ' LEU . 3.1 m-20 -122.54 179.96 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.661 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 63.26 10.95 5.01 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.233 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 57.46 14.05 2.08 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -110.05 -38.0 5.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.681 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.864 ' HA2' ' HB2' ' A' ' 50' ' ' CYS . . . 128.3 40.82 0.29 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.806 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.55 113.14 25.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.73 0.265 . . . . 0.0 110.825 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.677 ' HA ' ' O ' ' A' ' 49' ' ' THR . 1.1 m -84.4 115.82 22.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.874 0.369 . . . . 0.0 111.312 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -156.6 82.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.137 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.487 ' H ' ' HD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 63.24 164.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.525 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.582 ' HA ' ' OG1' ' A' ' 49' ' ' THR . 7.5 ptmm? -61.15 135.58 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.021 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.481 ' HG ' ' OD2' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -141.93 -82.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.218 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.409 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.761 0.315 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.7 t -94.25 110.48 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.334 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.61 ' HD2' ' HA ' ' A' ' 8' ' ' MET . 9.0 mtmm -99.58 132.36 44.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.33 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.4 m -123.13 17.38 9.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.365 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.546 ' HB2' ' CD1' ' A' ' 26' ' ' TRP . 20.2 t0 -173.7 13.69 0.01 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.273 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.61 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 3.4 mtt 55.08 33.24 19.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.163 0.506 . . . . 0.0 110.711 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -147.53 -41.44 0.18 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.432 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 20.0 m -84.75 174.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.617 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.79 100.32 2.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.066 0.46 . . . . 0.0 111.366 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 16' ' ' TYR . 10.1 m -113.51 85.19 8.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.557 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.84 -161.95 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.718 2.279 . . . . 0.0 113.34 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -49.42 134.46 18.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.609 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.591 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 84.48 0.5 89.35 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.392 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.542 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 98.3 m-85 -121.61 165.63 15.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.194 0.521 . . . . 0.0 111.569 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 2.7 t -143.21 158.99 43.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.499 178.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -104.35 124.15 48.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.309 0.576 . . . . 0.0 111.667 -179.236 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.95 124.87 27.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.045 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.39 153.19 12.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.205 0.526 . . . . 0.0 111.782 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.5 mt -138.08 103.42 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.572 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.27 17.36 6.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.26 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.0 t 63.66 3.51 1.55 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.692 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.16 -20.3 53.14 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.221 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.39 -171.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.696 0.284 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.546 ' CD1' ' HB2' ' A' ' 7' ' ' ASP . 88.2 m95 -115.01 166.17 12.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.703 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -132.83 153.02 20.5 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.754 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 17' ' ' THR . 75.7 m -105.32 110.21 22.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.894 0.378 . . . . 0.0 111.048 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -104.26 140.66 21.29 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.672 179.186 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.591 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 55.5 Cg_endo -74.66 39.2 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.242 1.962 . . . . 0.0 113.279 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 61.19 145.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.496 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.492 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -175.56 40.93 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.98 179.453 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 60.86 35.37 19.34 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.019 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.77 92.93 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.474 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 32' ' ' THR . 86.9 t -115.69 -67.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.069 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.796 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.846 0.355 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 10.2 m -81.14 156.83 71.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.628 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.62 36.32 0.38 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.803 2.335 . . . . 0.0 112.624 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.02 127.22 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.61 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.9 -42.3 2.0 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.726 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.415 ' HB3' ' N ' ' A' ' 58' ' ' GLU . 5.3 m-85 -88.18 170.77 10.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 111.232 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.682 HG21 HD23 ' A' ' 61' ' ' LEU . 4.1 t -135.97 177.76 7.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.655 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.59 132.53 34.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.814 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.79 -176.37 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.46 14.38 5.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 58.45 13.56 2.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -117.46 -64.61 1.28 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.7 37.44 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.618 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.2 m -84.74 120.82 26.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.659 0.266 . . . . 0.0 110.716 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 49' ' ' THR . 92.6 m -84.31 112.08 19.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.957 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.415 ' N ' ' HB3' ' A' ' 48' ' ' PHE . 3.7 mt-10 -140.03 164.99 28.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 6.0 mt-30 -51.53 103.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.35 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER 54.76 179.77 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.696 179.639 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.682 HD23 HG21 ' A' ' 49' ' ' THR . 0.0 OUTLIER -83.26 145.08 29.32 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.353 -179.719 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.828 0.347 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 t -84.22 119.7 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.06 130.15 55.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.625 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.85 -44.92 3.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.197 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -135.88 179.08 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.33 . . . . 0.0 110.999 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.18 38.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -161.06 -35.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.41 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.798 HG21 ' HB2' ' A' ' 26' ' ' TRP . 24.1 t -89.7 129.69 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.718 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.5 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -131.75 95.76 3.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.504 -179.555 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.617 ' HB3' ' HB3' ' A' ' 16' ' ' TYR . 17.8 m -100.59 97.53 6.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.524 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' ' 11' ' ' SER . 92.7 Cg_endo -80.61 -156.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.551 2.167 . . . . 0.0 113.449 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.31 128.37 19.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.952 -179.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.58 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 81.22 8.01 87.76 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.824 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.617 ' HB3' ' HB3' ' A' ' 12' ' ' CYS . 92.9 m-85 -121.63 155.68 34.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.072 0.463 . . . . 0.0 111.306 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.538 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 98.0 m -127.07 138.48 53.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.234 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 13.7 p -103.8 114.22 28.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.212 0.53 . . . . 0.0 110.495 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -149.49 139.36 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.259 -179.184 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.535 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 15.2 mmt180 -53.15 147.58 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.5 mt -105.31 -87.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.558 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.39 28.16 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.324 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.48 9.19 4.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.117 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.16 -14.78 15.79 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.028 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -169.22 177.93 4.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.746 0.308 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.798 ' HB2' HG21 ' A' ' 10' ' ' VAL . 71.7 m95 -101.38 159.28 15.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -134.19 156.0 22.15 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.545 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 17' ' ' THR . 99.3 m -105.1 113.78 27.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 t -104.41 119.41 53.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.853 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.58 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 95.3 Cg_endo -74.52 66.79 5.55 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.866 2.377 . . . . 0.0 112.548 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.486 ' HZ ' ' H ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -161.98 -171.2 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.072 -179.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.22 129.95 34.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.51 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -46.33 111.46 0.37 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.901 0.381 . . . . 0.0 111.413 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.97 -62.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.6 ' HB ' ' HB3' ' A' ' 43' ' ' CYS . 0.2 OUTLIER -112.23 -177.65 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.864 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 1.9 m . . . . . 0 C--N 1.332 -0.178 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.933 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.6 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 56.5 m . . . . . 0 N--CA 1.456 -0.125 0 CA-C-O 120.88 0.372 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 82.0 m 66.63 144.55 0.09 OUTLIER Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.322 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.889 ' HD2' ' HB2' ' A' ' 48' ' ' PHE . 28.0 Cg_exo -62.14 -141.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.925 2.417 . . . . 0.0 112.668 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.08 -83.74 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.778 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.71 43.33 1.47 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.849 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.889 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . 0.7 OUTLIER -93.2 137.32 32.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.697 0.284 . . . . 0.0 110.293 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 1.1 m -102.53 131.98 48.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.274 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.658 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -85.1 127.42 34.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.141 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.436 ' OD2' ' HB2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -84.5 134.23 34.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.894 179.452 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -49.15 -25.38 2.15 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.436 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 12.8 tt0 -52.98 -36.03 59.77 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.158 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -173.31 36.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.672 0.273 . . . . 0.0 110.859 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.658 ' HA2' ' HB2' ' A' ' 50' ' ' CYS . . . 53.08 46.99 61.3 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.239 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.549 ' C ' ' HA ' ' A' ' 50' ' ' CYS . 6.6 m -83.79 103.57 13.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 111.405 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 49' ' ' THR . 14.9 m -84.01 120.74 26.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -138.67 164.17 30.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.619 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -46.61 119.71 2.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.014 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.09 -175.89 0.13 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.894 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 pp -80.31 153.44 28.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.125 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.752 0.31 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 21.8 t -100.12 115.52 41.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.62 135.28 52.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.7 m -140.67 118.31 11.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.74 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 61.8 167.83 0.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.954 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 mtm -92.8 56.33 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -171.67 -8.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.751 HG21 ' HB2' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -125.03 134.82 65.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.22 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.409 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 5.6 t -135.79 99.01 4.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.075 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.419 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 2.9 m -106.18 91.02 5.13 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.294 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 11' ' ' SER . 88.1 Cg_endo -78.96 -154.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.666 2.244 . . . . 0.0 112.897 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -56.46 133.11 52.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.464 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.456 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 84.96 -11.73 59.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.247 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.447 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 54.6 m-85 -104.46 153.49 21.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.011 0.434 . . . . 0.0 111.257 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 10.6 t -121.63 140.32 52.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.84 178.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.68 110.82 23.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.603 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 0.6 OUTLIER -148.45 142.36 25.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.374 -179.735 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.541 ' HE ' ' HA ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -57.13 152.86 12.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.788 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -108.36 -78.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.642 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -107.35 29.85 6.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.381 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.541 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 8.2 t 63.65 10.5 5.07 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.42 -11.36 9.7 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.306 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -167.83 161.35 13.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.864 0.364 . . . . 0.0 111.425 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.751 ' HB2' HG21 ' A' ' 10' ' ' VAL . 90.6 m95 -89.69 163.45 15.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.699 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.66 144.78 16.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.676 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.629 ' SG ' HG12 ' A' ' 10' ' ' VAL . 86.4 m -108.71 108.65 19.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 111.045 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.502 ' HB3' HG22 ' A' ' 17' ' ' THR . 0.5 OUTLIER -103.89 117.9 58.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.231 179.428 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 76.3 Cg_endo -78.67 69.84 7.6 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.097 2.531 . . . . 0.0 113.26 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.406 ' CE1' ' HB3' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -161.88 179.91 7.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.096 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.6 t -83.21 -175.29 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.739 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 56.41 -160.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.83 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.64 115.67 6.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 0.0 111.397 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.2 t -128.27 138.53 54.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.69 0.281 . . . . 0.0 110.739 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.408 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 84.9 m 63.28 157.33 0.12 Allowed Pre-proline 0 CA--C 1.529 0.15 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.168 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.557 ' HG2' ' CG ' ' A' ' 48' ' ' PHE . 13.3 Cg_endo -57.19 -178.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.443 2.096 . . . . 0.0 112.172 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.6 128.28 35.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.033 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.8 -20.52 49.44 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.93 -0.652 . . . . 0.0 113.287 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.563 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 0.6 OUTLIER -83.46 110.11 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.085 0.469 . . . . 0.0 111.334 -179.093 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.625 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 2.2 m -104.74 143.87 32.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.388 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -84.03 130.26 34.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.054 0.454 . . . . 0.0 110.999 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.763 ' HB2' ' HB ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -83.35 136.21 34.43 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.129 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.1 t -74.06 47.38 0.27 Allowed 'General case' 0 C--O 1.232 0.155 0 O-C-N 124.074 0.859 . . . . 0.0 111.779 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' HG2' ' HB3' ' A' ' 51' ' ' ASP . 5.1 pt20 -132.26 -27.98 1.74 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.127 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -174.07 32.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.837 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.08 51.03 52.93 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.763 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 1.4 m -84.23 103.8 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.625 ' HA ' ' O ' ' A' ' 49' ' ' THR . 2.8 m -85.36 120.31 26.7 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.563 ' O ' ' HA ' ' A' ' 48' ' ' PHE . 19.6 mt-10 -142.25 156.02 45.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.08 0.467 . . . . 0.0 112.035 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -54.31 111.74 0.84 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.165 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.7 mttt 64.85 -73.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.698 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 mp -57.02 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.913 0.387 . . . . 0.0 111.502 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.1 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.987 -179.84 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.23 0 CA-C-O 121.038 0.446 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.418 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 21.2 t -93.6 101.25 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HE2' ' O ' ' A' ' 10' ' ' VAL . 1.2 mmpt? -95.09 100.02 11.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.005 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.36 123.39 29.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.63 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 t0 61.66 14.57 6.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.047 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.9 mtt 51.69 39.03 24.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.975 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -139.73 -24.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.737 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.734 HG21 ' HB2' ' A' ' 26' ' ' TRP . 86.8 t -117.94 142.85 30.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.739 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.8 t -113.1 96.08 5.74 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.418 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 62.5 m -113.36 84.77 7.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -66.92 -165.33 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.702 2.268 . . . . 0.0 113.171 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -50.12 132.54 23.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.345 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 84.64 0.76 89.26 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.716 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 92.6 m-85 -116.47 153.07 32.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.161 0.505 . . . . 0.0 111.469 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.547 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 98.2 m -121.88 134.77 54.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.189 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 19.8 p -104.05 105.08 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.073 0.463 . . . . 0.0 111.056 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.07 139.39 44.71 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.281 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.481 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 0.8 OUTLIER -53.94 159.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.363 179.116 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.91 -26.18 7.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.404 0.621 . . . . 0.0 109.64 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 23' ' ' SER . 3.9 tt0 -172.09 -46.99 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.541 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 0.2 OUTLIER 170.25 -32.01 0.0 OUTLIER 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.144 179.802 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.76 -51.5 28.45 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.683 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -166.59 -165.99 0.81 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.784 0.326 . . . . 0.0 110.947 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.734 ' HB2' HG21 ' A' ' 10' ' ' VAL . 38.5 m95 -106.41 156.45 18.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -116.82 154.65 16.65 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.219 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 17' ' ' THR . 85.6 m -104.64 116.91 32.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.834 0.349 . . . . 0.0 111.362 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 1.3 t -103.53 114.16 65.05 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.734 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.52 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 87.3 Cg_endo -74.07 72.81 3.92 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.24 2.626 . . . . 0.0 113.211 -178.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -165.88 -170.26 1.72 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.573 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -158.79 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.872 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.0 -165.51 1.03 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.632 0.253 . . . . 0.0 111.259 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 35' ' ' VAL . . . 69.61 86.05 0.13 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.603 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.493 HG11 ' O ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -160.88 -177.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.867 179.567 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.185 -179.64 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.493 ' O ' HG11 ' A' ' 35' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.606 0.241 . . . . 0.0 111.15 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 96.7 m 64.01 142.53 0.07 OUTLIER Pre-proline 0 N--CA 1.463 0.208 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.308 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -56.78 163.76 6.85 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.511 2.14 . . . . 0.0 112.184 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.55 121.74 15.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.323 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.58 -22.72 14.54 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.784 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.527 ' HD1' ' N ' ' A' ' 59' ' ' GLN . 7.0 m-85 -114.83 159.12 21.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.108 0.48 . . . . 0.0 111.68 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 9.3 t -132.52 172.82 12.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.403 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 115.25 22.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.939 0.399 . . . . 0.0 110.449 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.487 ' OD1' HG23 ' A' ' 49' ' ' THR . 12.9 m-20 -110.35 168.38 9.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.28 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 62.94 10.49 4.41 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.492 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.17 6.46 0.71 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.243 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 -38.51 9.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.361 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.29 33.48 0.53 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.566 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.08 111.81 20.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.697 0.284 . . . . 0.0 110.748 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' A' ' 49' ' ' THR . 14.2 m -83.66 103.47 13.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.073 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.43 ' C ' ' HD1' ' A' ' 48' ' ' PHE . 19.1 mt-10 -134.62 164.66 27.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.193 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.527 ' N ' ' HD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -73.84 65.44 1.04 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.849 -179.556 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm 48.66 84.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.124 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.07 -6.33 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.31 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.423 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.592 0.234 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 3.7 t -104.02 127.56 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.954 0.407 . . . . 0.0 111.379 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -126.22 133.68 51.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.344 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 -12.08 15.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.334 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -167.73 174.77 7.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.834 0.349 . . . . 0.0 110.977 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttm -84.86 46.31 1.25 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.85 -12.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.996 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.72 165.59 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.045 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.3 p -158.52 84.85 0.84 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.476 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 40.0 m -103.41 93.84 5.26 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.845 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.24 -164.93 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.437 2.091 . . . . 0.0 112.815 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.83 131.28 35.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.435 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 89.33 -5.2 84.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.72 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 81.1 m-85 -111.77 158.14 19.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.138 0.494 . . . . 0.0 111.31 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 4.2 m -129.46 145.43 51.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.804 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 28.1 p -103.7 109.24 20.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.135 0.493 . . . . 0.0 110.826 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.37 131.75 45.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.173 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.453 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -54.25 155.35 3.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.638 -179.715 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.7 mt -139.65 105.47 5.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.061 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 63.23 19.4 11.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.414 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.42 6.35 1.91 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.778 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.48 -28.04 41.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.048 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 20' ' ' ARG . . . -176.57 -166.92 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.453 ' CE3' ' HG2' ' A' ' 20' ' ' ARG . 71.0 m95 -110.84 162.81 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.702 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -131.26 156.64 21.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.376 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 17' ' ' THR . 84.7 m -105.34 109.5 21.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.893 0.378 . . . . 0.0 111.242 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.537 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -104.23 124.61 36.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.253 179.498 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.516 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 91.9 Cg_endo -77.26 66.69 7.82 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.897 2.398 . . . . 0.0 112.954 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -163.08 173.31 13.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.988 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.2 t -82.24 159.64 23.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.074 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 60.55 -169.24 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.72 177.82 6.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.011 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.531 HG23 ' HZ ' ' A' ' 31' ' ' PHE . 13.6 t -144.05 -66.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.0 m . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.26 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.515 ' HB3' HG21 ' A' ' 35' ' ' VAL . 34.5 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 6.0 m -56.86 141.07 75.64 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.807 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 44' ' ' CYS . 2.7 Cg_exo -75.48 31.78 0.38 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.811 2.341 . . . . 0.0 112.274 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.47 125.34 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.56 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.1 -18.99 25.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.536 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.433 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 5.7 m-85 -119.91 169.85 9.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.59 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 26.3 p -126.08 136.0 52.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.433 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.501 ' HB2' HG13 ' A' ' 35' ' ' VAL . 9.2 t -84.22 102.96 13.02 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.106 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.52 ' HB2' ' HA ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -82.29 123.47 29.09 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.006 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.1 p -55.37 -28.28 52.88 Favored 'General case' 0 CA--C 1.522 -0.127 0 O-C-N 123.935 0.772 . . . . 0.0 112.048 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' HB3' ' OD2' ' A' ' 51' ' ' ASP . 5.3 tt0 -51.69 -28.21 14.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.6 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.21 17.97 0.56 Allowed 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.91 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . 42.5 47.14 5.78 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 5.5 t -122.25 138.21 54.57 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 49' ' ' THR . 40.6 m -95.46 115.13 27.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.52 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -135.74 173.4 11.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.0 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 84.77 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.654 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.41 -164.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.957 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.85 66.9 0.86 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.565 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.52 ' HA ' ' HB2' ' A' ' 51' ' ' ASP . . . . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.693 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.669 ' HB3' ' HA ' ' A' ' 13' ' ' PRO . 15.5 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 4.1 t -91.02 87.57 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.202 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -93.58 108.64 20.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.736 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -18.08 60.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.003 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -155.26 -164.78 1.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.6 ptm -104.49 40.95 1.38 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -159.01 -29.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.503 HG21 ' HB2' ' A' ' 26' ' ' TRP . 57.9 t -103.05 133.37 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.792 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.6 t -123.2 97.21 5.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.976 0.417 . . . . 0.0 111.706 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.448 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 23.3 m -106.41 93.6 8.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.532 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.669 ' HA ' ' HB3' ' A' ' 3' ' ' ASP . 97.7 Cg_endo -76.05 -158.87 0.09 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.47 2.113 . . . . 0.0 112.882 -178.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -54.45 132.6 44.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.527 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.34 -14.42 57.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.61 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.499 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 60.3 m-85 -103.33 153.13 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.098 0.475 . . . . 0.0 111.712 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 5.6 t -128.3 149.91 50.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.954 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 8.7 p -104.4 114.1 28.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.004 0.431 . . . . 0.0 111.338 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 m -134.21 131.69 38.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.527 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 1.0 OUTLIER -54.42 143.2 24.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.909 0.385 . . . . 0.0 110.808 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 mt -104.43 -97.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.395 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.26 35.11 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.18 0.514 . . . . 0.0 109.707 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 54.81 17.05 1.62 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.111 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.53 -13.59 20.21 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.39 -172.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.443 -0.378 . . . . 0.0 110.174 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.503 ' HB2' HG21 ' A' ' 10' ' ' VAL . 72.3 m95 -110.4 159.98 16.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 110.982 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.471 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -123.07 150.39 16.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.574 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 17' ' ' THR . 96.0 m -104.77 110.53 22.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -105.51 122.06 44.03 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.477 179.609 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -78.88 53.84 4.86 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.825 2.35 . . . . 0.0 111.952 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.674 ' HB2' HG23 ' A' ' 35' ' ' VAL . 4.9 p90 -65.61 168.89 6.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.528 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.0 t -139.19 19.11 2.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.995 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -177.18 -66.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.226 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.96 108.22 0.07 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.054 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 31' ' ' PHE . 2.0 t -124.53 -37.94 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.246 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.279 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 44' ' ' CYS . 57.7 m . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 120.61 0.243 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 55.5 m 67.77 160.73 0.14 Allowed Pre-proline 0 N--CA 1.463 0.205 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.352 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -44.2 160.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.984 2.456 . . . . 0.0 112.947 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.95 154.23 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.546 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.65 -19.33 41.43 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.545 ' HD1' ' N ' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -84.2 177.48 8.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.078 0.466 . . . . 0.0 110.797 -179.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.555 ' H ' ' H ' ' A' ' 58' ' ' GLU . 54.5 m -158.9 130.22 6.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.812 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.9 110.79 18.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.199 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.435 ' OD1' ' HA ' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -83.42 124.33 30.57 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.562 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -14.07 2.72 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.957 0.786 . . . . 0.0 111.244 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -31.21 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.928 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -171.79 31.78 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.477 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.43 47.95 22.09 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.371 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.48 122.07 43.61 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 49' ' ' THR . 27.4 p -87.23 129.91 34.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.907 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.555 ' H ' ' H ' ' A' ' 49' ' ' THR . 3.6 pt-20 -143.49 132.56 22.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.288 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -59.96 79.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.84 -179.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 175.53 -91.82 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 61' ' ' LEU . 4.1 mt -164.48 178.96 7.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.714 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.435 ' HA ' ' OD1' ' A' ' 51' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.018 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.892 0.377 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.43 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 5.1 t -127.69 134.67 64.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.1 -160.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.53 -65.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.679 0.276 . . . . 0.0 111.175 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.407 ' HB2' ' NE1' ' A' ' 26' ' ' TRP . 1.9 t0 -113.09 30.58 7.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.021 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 mtt 54.18 35.24 22.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.07 -47.87 0.66 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.596 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.407 HG22 ' SG ' ' A' ' 28' ' ' CYS . 2.7 p -89.64 156.44 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.679 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.521 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.8 m -129.94 88.11 2.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.017 0.436 . . . . 0.0 111.46 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 60.1 m -95.29 100.31 5.69 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.462 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.521 ' HD3' ' O ' ' A' ' 11' ' ' SER . 97.1 Cg_endo -78.62 -154.13 0.05 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.382 2.054 . . . . 0.0 113.168 -178.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -54.53 123.95 14.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.786 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 89.91 -20.28 36.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.1 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.549 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 24.9 m-85 -93.3 151.4 19.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.155 0.502 . . . . 0.0 111.792 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.619 HG22 ' HB2' ' A' ' 29' ' ' CYS . 6.1 t -130.75 158.57 39.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.359 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 31.9 p -104.68 114.68 29.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.111 0.482 . . . . 0.0 111.503 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.47 127.39 37.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.359 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 143.41 19.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.313 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 23' ' ' SER . 25.3 mt -115.71 7.04 14.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.683 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.557 ' C ' ' H ' ' A' ' 24' ' ' GLY . 3.8 mp0 70.43 -17.57 0.27 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.635 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.468 ' H ' ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -73.54 26.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.203 0.525 . . . . 0.0 109.722 179.538 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' A' ' 22' ' ' GLN . . . 70.16 10.87 66.35 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.194 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.63 178.89 7.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.758 0.314 . . . . 0.0 111.085 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.407 ' NE1' ' HB2' ' A' ' 7' ' ' ASP . 71.8 m95 -107.59 165.06 11.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -126.61 155.31 19.51 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.562 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 17' ' ' THR . 34.3 m -105.46 119.17 38.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.902 0.382 . . . . 0.0 111.256 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.619 ' HB2' HG22 ' A' ' 17' ' ' THR . 1.3 m -111.46 111.6 54.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.378 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.519 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 57.9 Cg_endo -85.01 62.48 6.09 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.131 2.554 . . . . 0.0 112.359 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -115.18 -161.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.415 -179.257 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.2 p -122.7 57.53 1.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.33 . . . . 0.0 111.273 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 64.82 125.87 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.6 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.461 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . . . -171.17 -151.18 0.07 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.618 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.567 HG13 ' SG ' ' A' ' 57' ' ' CYS . 11.6 t -116.86 138.6 46.96 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 CA-C-O 120.68 0.276 . . . . 0.0 111.362 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.907 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.166 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.57 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.77 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.2 m . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.69 0.281 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.907 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -137.87 134.94 18.35 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.873 179.782 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.99 162.39 41.9 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.413 2.075 . . . . 0.0 112.081 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.432 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . . . 55.39 -170.7 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.204 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.3 50.5 4.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.671 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 9.3 m-30 -90.62 138.48 31.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.082 0.468 . . . . 0.0 111.694 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.644 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -131.37 165.53 23.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.732 178.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 96.2 m -83.25 131.46 35.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.945 0.402 . . . . 0.0 110.796 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.732 ' HB2' ' HB ' ' A' ' 56' ' ' THR . 1.2 m-20 -120.84 172.88 7.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.992 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.17 14.36 5.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.095 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.89 7.44 1.13 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.351 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -104.45 -68.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.985 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.14 38.15 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.648 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.732 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 32.4 m -84.85 104.03 14.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.774 0.321 . . . . 0.0 110.632 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.644 ' HA ' ' O ' ' A' ' 49' ' ' THR . 0.6 OUTLIER -83.45 114.84 21.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.369 -179.358 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 48' ' ' PHE . 2.3 pt-20 -151.29 169.78 21.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.811 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 98.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.421 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp 55.05 -160.19 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.492 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 67.02 147.44 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.467 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.818 179.82 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.661 ' HB2' ' HA ' ' A' ' 13' ' ' PRO . 5.7 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.718 0.294 . . . . 0.0 110.824 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 3.5 t -76.42 91.65 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 110.706 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -94.68 128.91 41.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.451 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.462 ' HB2' HG11 ' A' ' 10' ' ' VAL . 1.6 m -118.31 120.18 36.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.983 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.22 -159.63 0.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.372 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.93 44.74 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.69 0.281 . . . . 0.0 111.166 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.15 22.61 0.11 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.258 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.462 HG11 ' HB2' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -148.1 159.44 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.975 179.795 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 t -151.91 90.79 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 3.2 m -105.09 93.32 6.35 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.403 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.661 ' HA ' ' HB2' ' A' ' 3' ' ' ASP . 84.9 Cg_endo -78.18 -163.45 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.569 2.179 . . . . 0.0 112.974 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.98 130.29 33.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.562 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.534 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 89.91 -1.1 80.26 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.589 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -114.09 155.56 25.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.085 0.469 . . . . 0.0 111.72 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 29' ' ' CYS . 14.7 t -121.68 146.83 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.002 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.8 111.84 24.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.893 0.378 . . . . 0.0 111.571 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -136.94 138.68 40.87 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.671 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 1.1 mmt85 -62.65 153.18 33.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.258 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.3 mt -105.99 -98.46 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.679 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -93.96 32.42 1.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 110.126 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.35 9.66 3.44 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.72 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.1 -15.14 16.93 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.153 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -169.0 179.73 3.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.748 0.309 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 20' ' ' ARG . 96.1 m95 -104.9 166.13 10.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.799 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.43 144.42 15.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.891 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 17' ' ' THR . 56.7 m -104.75 121.59 43.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.591 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.538 ' O ' HG22 ' A' ' 17' ' ' THR . 34.5 t -123.01 126.54 25.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.369 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.534 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 91.2 Cg_endo -78.68 52.23 4.11 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.656 2.237 . . . . 0.0 111.921 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.454 ' CE1' ' HB ' ' A' ' 17' ' ' THR . 0.8 OUTLIER -64.29 171.91 2.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.521 -179.509 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.4 p -139.61 62.2 1.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.927 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 61.17 48.98 5.84 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.366 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -141.99 -78.19 0.26 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.768 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.706 ' HB ' ' HB3' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -112.2 -172.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.936 -179.068 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.158 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.93 179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.706 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 66.5 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.738 0.304 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 58.64 101.22 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.011 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.41 55.58 4.74 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.632 2.221 . . . . 0.0 112.589 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.6 147.53 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.57 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.61 -21.36 33.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.521 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.479 ' HD1' ' N ' ' A' ' 59' ' ' GLN . 1.3 m-85 -126.9 162.19 26.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.928 0.394 . . . . 0.0 111.358 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.575 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -137.28 169.56 17.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.817 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.459 ' HB3' ' CA ' ' A' ' 55' ' ' GLY . 59.9 m -83.96 115.98 22.58 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.601 0.563 . . . . 0.0 110.691 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.588 ' O ' ' HB ' ' A' ' 52' ' ' THR . 15.7 t0 179.87 -172.35 0.19 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.995 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER 101.99 -35.45 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 124.43 1.081 . . . . 0.0 111.426 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -178.44 -2.57 0.01 OUTLIER 'General case' 0 C--O 1.232 0.133 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -169.53 -44.84 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.219 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.459 ' CA ' ' HB3' ' A' ' 50' ' ' CYS . . . 153.7 45.25 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.058 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.6 p -84.44 138.79 32.62 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 49' ' ' THR . 15.7 m -82.74 104.73 13.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.853 0.359 . . . . 0.0 111.161 -179.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.46 ' C ' ' HB3' ' A' ' 48' ' ' PHE . 5.8 mm-40 -135.16 162.83 31.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.211 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.479 ' N ' ' HD1' ' A' ' 48' ' ' PHE . 5.8 tt0 -78.89 50.61 1.03 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.078 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.75 172.35 2.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.061 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' A' ' 61' ' ' LEU . 2.4 mm? 61.6 171.26 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.665 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.856 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.811 0.339 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.23 142.73 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.53 122.5 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.797 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -21.49 17.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.295 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.448 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -155.11 177.6 11.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.157 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ttm -86.67 41.0 0.93 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.994 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -160.7 -22.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.448 HG12 ' H ' ' A' ' 7' ' ' ASP . 2.9 p -96.55 156.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.488 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 4.5 p -148.64 86.18 1.52 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.003 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.5 m -100.32 97.58 6.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.05 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' ' 11' ' ' SER . 86.6 Cg_endo -78.74 -165.06 0.31 Allowed 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.515 2.143 . . . . 0.0 112.869 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -49.84 124.6 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.004 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 90.4 3.8 71.64 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.801 -0.636 . . . . 0.0 113.327 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 85.8 m-85 -119.58 156.24 30.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.075 0.464 . . . . 0.0 111.79 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.555 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 6.9 t -129.58 153.7 47.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.051 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 21.0 p -104.27 123.48 47.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.914 0.387 . . . . 0.0 111.356 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -141.54 132.69 26.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.412 HH11 ' HB3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -61.42 155.08 22.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.743 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.6 mt -123.35 -96.43 0.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.6 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.41 ' HG2' ' H ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -96.35 27.91 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.125 0.488 . . . . 0.0 110.109 179.308 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.23 0.17 1.61 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.201 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.0 -31.06 49.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.729 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.89 177.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.625 -0.287 . . . . 0.0 110.563 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.406 ' CE3' ' HG2' ' A' ' 20' ' ' ARG . 79.2 m95 -90.92 161.75 15.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.954 0.407 . . . . 0.0 110.807 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.485 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -125.84 150.4 17.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 17' ' ' THR . 71.2 m -106.62 113.58 27.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.942 0.401 . . . . 0.0 111.211 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -104.58 127.06 29.75 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.194 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.438 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 49.7 Cg_endo -72.53 34.54 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.538 2.159 . . . . 0.0 113.164 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.44 ' H ' ' C ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER 60.12 155.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.861 178.571 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.24 28.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.492 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 63.17 2.89 1.17 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.192 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.75 175.82 1.02 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.663 HG11 ' SG ' ' A' ' 44' ' ' CYS . 42.4 t 65.08 154.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.198 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.487 ' N ' HG12 ' A' ' 35' ' ' VAL . 1.6 p . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.029 179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.438 ' SG ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.004 0.431 . . . . 0.0 110.163 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.663 ' SG ' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER 53.28 83.12 0.23 Allowed Pre-proline 0 C--O 1.232 0.141 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.501 -179.18 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.583 ' HG2' ' HE2' ' A' ' 48' ' ' PHE . 61.4 Cg_endo -73.3 69.33 4.1 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.926 2.417 . . . . 0.0 113.215 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.93 147.74 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.207 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.8 -23.59 7.53 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.99 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.583 ' HE2' ' HG2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -119.27 -178.12 3.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.212 0.529 . . . . 0.0 111.199 -179.496 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -164.27 163.44 22.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.246 179.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.562 ' HB3' ' HA2' ' A' ' 55' ' ' GLY . 3.1 m -83.95 113.23 20.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.076 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -128.33 -173.92 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.259 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 p 64.5 17.14 10.68 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.507 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.63 11.9 0.98 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.457 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.66 -10.57 13.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.7 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.562 ' HA2' ' HB3' ' A' ' 50' ' ' CYS . . . 84.95 35.74 12.31 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.278 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.47 116.8 24.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.631 0.253 . . . . 0.0 110.954 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.56 ' HA ' ' O ' ' A' ' 49' ' ' THR . 55.8 m -83.31 109.25 17.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.008 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.477 ' C ' ' H ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -138.2 156.59 47.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 179.794 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.536 ' O ' ' HB3' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -75.25 37.12 0.12 Allowed 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.294 -179.57 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.536 ' HB3' ' O ' ' A' ' 59' ' ' GLN . 2.2 ptpt 169.3 -169.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.531 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.77 129.18 55.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.658 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.171 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.035 -179.833 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.701 0.286 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.6 ptt? -118.8 27.01 9.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -70.71 -42.12 71.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.814 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.58 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 7.4 t -125.68 143.38 39.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' ' 10' ' ' VAL . 6.4 mttp -147.05 142.4 27.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.755 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.91 -29.81 13.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.666 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.18 -171.79 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.717 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 mtt -92.75 46.28 1.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -164.93 -1.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.193 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.466 ' O ' ' HE3' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -123.6 166.2 18.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.138 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.3 p -151.35 88.88 1.46 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.298 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.58 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -122.23 92.63 48.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.142 179.515 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.418 ' O ' ' HB2' ' A' ' 16' ' ' TYR . 91.7 Cg_endo -75.48 -156.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.981 2.454 . . . . 0.0 113.401 -179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.4 140.51 22.02 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.935 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 86.44 -11.71 62.86 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.669 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.525 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 87.2 m-85 -105.16 154.89 19.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.016 0.436 . . . . 0.0 111.206 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.501 ' HB ' ' SG ' ' A' ' 29' ' ' CYS . 8.4 m -122.45 149.15 44.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.279 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 67.1 m -103.81 108.93 20.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 t -125.23 130.55 52.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HG2' ' CH2' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -75.46 145.62 41.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.224 -179.801 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.7 177.9 7.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.399 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.534 ' C ' ' H ' ' A' ' 24' ' ' GLY . 7.3 pt20 -84.57 -5.25 59.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.168 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.24 25.71 0.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.821 0.343 . . . . 0.0 110.34 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.534 ' H ' ' C ' ' A' ' 22' ' ' GLN . . . 51.85 32.67 34.06 Favored Glycine 0 C--N 1.332 0.361 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.578 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -161.65 -172.7 3.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 111.261 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.406 ' CH2' ' HG2' ' A' ' 20' ' ' ARG . 81.5 m95 -101.53 171.24 7.68 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.066 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -131.19 140.6 11.92 Favored Glycine 0 CA--C 1.518 0.264 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.535 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.499 ' HB3' ' HB3' ' A' ' 12' ' ' CYS . 28.2 m -104.47 116.13 31.56 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.832 0.349 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -105.34 106.5 56.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.575 179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.432 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 87.3 Cg_endo -78.8 65.37 8.76 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.967 2.445 . . . . 0.0 112.917 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.687 ' HZ ' ' HA ' ' A' ' 35' ' ' VAL . 0.5 OUTLIER -156.37 173.22 17.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.074 179.793 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.67 92.33 3.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.414 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.01 -157.28 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.56 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.17 95.21 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.893 0.377 . . . . 0.0 110.53 179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.687 ' HA ' ' HZ ' ' A' ' 31' ' ' PHE . 24.2 m -67.82 133.38 31.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.823 -179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.459 ' HB2' ' O ' ' A' ' 55' ' ' GLY . 0.0 OUTLIER 47.62 44.07 16.91 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.309 179.815 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.3 t -162.37 164.07 27.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.998 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 57.17 -167.97 0.12 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.259 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.29 -140.63 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.712 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.443 ' C ' HG13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER 62.86 -95.31 0.05 OUTLIER 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.118 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.443 HG13 ' C ' ' A' ' 40' ' ' HIS . 0.3 OUTLIER -135.02 104.97 5.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.872 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.34 137.17 43.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.804 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.23 -1.42 12.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.802 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.441 ' C ' ' H ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -97.72 146.81 32.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.542 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HD2' ' CE2' ' A' ' 48' ' ' PHE . 15.6 Cg_exo -69.13 34.68 0.19 Allowed 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 122.99 2.46 . . . . 0.0 112.778 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' A' ' 44' ' ' CYS . . . 66.29 161.4 0.15 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 121.097 0.475 . . . . 0.0 111.999 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.54 1.77 83.3 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.716 -0.674 . . . . 0.0 112.417 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' HD2' ' A' ' 45' ' ' PRO . 7.0 m-85 -123.8 141.21 52.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.797 0.332 . . . . 0.0 111.267 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.677 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -111.14 161.26 16.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.286 179.047 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.864 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 18.0 p -83.22 128.79 34.8 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.173 0.511 . . . . 0.0 111.233 -179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.481 ' OD2' ' HG ' ' A' ' 61' ' ' LEU . 3.1 m-20 -122.54 179.96 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.661 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 63.26 10.95 5.01 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.233 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 57.46 14.05 2.08 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.946 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -110.05 -38.0 5.43 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.681 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.864 ' HA2' ' HB2' ' A' ' 50' ' ' CYS . . . 128.3 40.82 0.29 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.806 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.55 113.14 25.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.73 0.265 . . . . 0.0 110.825 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.677 ' HA ' ' O ' ' A' ' 49' ' ' THR . 1.1 m -84.4 115.82 22.73 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.874 0.369 . . . . 0.0 111.312 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -156.6 82.32 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.137 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.487 ' H ' ' HD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 63.24 164.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.525 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.582 ' HA ' ' OG1' ' A' ' 49' ' ' THR . 7.5 ptmm? -61.15 135.58 57.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.021 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.481 ' HG ' ' OD2' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -141.93 -82.15 0.21 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -166.71 -10.67 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.409 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 64.3 109.3 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 55.88 72.71 0.47 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.584 HD23 ' H ' ' A' ' 65' ' ' LEU . 0.3 OUTLIER -77.22 121.42 23.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.961 -179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -119.65 -13.28 9.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.691 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -100.57 -178.32 3.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -119.33 -59.91 1.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 86.4 m-70 -88.25 140.27 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.754 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -161.83 148.04 13.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -130.71 110.95 11.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.868 0.366 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.42 ' H ' ' HG2' ' A' ' 2' ' ' MET . 0.6 OUTLIER -101.85 40.57 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.105 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -72.37 130.89 41.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.669 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.7 t -94.25 110.48 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.334 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.61 ' HD2' ' HA ' ' A' ' 8' ' ' MET . 9.0 mtmm -99.58 132.36 44.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.33 179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.4 m -123.13 17.38 9.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.365 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.546 ' HB2' ' CD1' ' A' ' 26' ' ' TRP . 20.2 t0 -173.7 13.69 0.01 OUTLIER 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.273 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.61 ' HA ' ' HD2' ' A' ' 5' ' ' LYS . 3.4 mtt 55.08 33.24 19.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.163 0.506 . . . . 0.0 110.711 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -147.53 -41.44 0.18 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.432 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 20.0 m -84.75 174.79 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.617 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.79 100.32 2.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.066 0.46 . . . . 0.0 111.366 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 16' ' ' TYR . 10.1 m -113.51 85.19 8.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.557 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.84 -161.95 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.718 2.279 . . . . 0.0 113.34 -178.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -49.42 134.46 18.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.609 -179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.591 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 84.48 0.5 89.35 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.392 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.542 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 98.3 m-85 -121.61 165.63 15.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.194 0.521 . . . . 0.0 111.569 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 2.7 t -143.21 158.99 43.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.499 178.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 0.5 OUTLIER -104.35 124.15 48.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.309 0.576 . . . . 0.0 111.667 -179.236 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -133.95 124.87 27.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.045 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.39 153.19 12.95 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.205 0.526 . . . . 0.0 111.782 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 24.5 mt -138.08 103.42 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.572 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.27 17.36 6.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.26 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.0 t 63.66 3.51 1.55 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.692 179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.16 -20.3 53.14 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.221 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -174.39 -171.87 0.63 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.696 0.284 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.546 ' CD1' ' HB2' ' A' ' 7' ' ' ASP . 88.2 m95 -115.01 166.17 12.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.703 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -132.83 153.02 20.5 Favored Glycine 0 CA--C 1.517 0.167 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.754 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 17' ' ' THR . 75.7 m -105.32 110.21 22.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.894 0.378 . . . . 0.0 111.048 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.0 OUTLIER -104.26 140.66 21.29 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.672 179.186 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.591 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 55.5 Cg_endo -74.66 39.2 0.55 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.242 1.962 . . . . 0.0 113.279 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 61.19 145.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.496 178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.492 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -175.56 40.93 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.98 179.453 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 60.86 35.37 19.34 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.019 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 58.77 92.93 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.474 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.741 HG12 ' H ' ' A' ' 37' ' ' CYS . 86.9 t -115.69 -67.95 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.069 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER 55.95 33.43 21.7 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.796 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.741 ' H ' HG12 ' A' ' 35' ' ' VAL . 2.1 t -161.23 -79.36 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.738 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -167.43 142.8 3.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.647 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -165.43 -56.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.972 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -147.41 -48.86 0.18 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.972 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -117.67 -2.22 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 63.25 165.41 0.12 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.952 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.26 -13.33 13.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.926 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 10.2 m -81.14 156.83 71.62 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.628 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.62 36.32 0.38 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.803 2.335 . . . . 0.0 112.624 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.02 127.22 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.61 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 109.9 -42.3 2.0 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.726 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.415 ' HB3' ' N ' ' A' ' 58' ' ' GLU . 5.3 m-85 -88.18 170.77 10.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 111.232 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.682 HG21 HD23 ' A' ' 61' ' ' LEU . 4.1 t -135.97 177.76 7.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.655 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.59 132.53 34.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.832 0.349 . . . . 0.0 110.814 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.79 -176.37 4.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.46 14.38 5.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.299 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 58.45 13.56 2.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -117.46 -64.61 1.28 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 163.7 37.44 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.618 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.2 m -84.74 120.82 26.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.659 0.266 . . . . 0.0 110.716 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 49' ' ' THR . 92.6 m -84.31 112.08 19.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.957 -179.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.415 ' N ' ' HB3' ' A' ' 48' ' ' PHE . 3.7 mt-10 -140.03 164.99 28.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.221 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 6.0 mt-30 -51.53 103.8 0.07 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.35 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER 54.76 179.77 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.696 179.639 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.682 HD23 HG21 ' A' ' 49' ' ' THR . 0.0 OUTLIER -83.26 145.08 29.32 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.27 -62.09 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.353 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.2 -158.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.193 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 59.57 -95.92 0.06 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.348 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.0 tp 62.57 170.6 0.14 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.971 0.415 . . . . 0.0 111.085 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -82.29 163.67 21.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.823 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -164.37 32.33 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.9 17.72 19.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.001 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -127.58 166.69 17.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.76 168.94 19.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -120.74 -4.51 9.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.5 m80 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.869 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.766 0.317 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER 55.55 84.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.02 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -96.71 144.51 26.65 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 t -84.22 119.7 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.06 130.15 55.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.625 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.85 -44.92 3.01 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.197 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -135.88 179.08 6.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.792 0.33 . . . . 0.0 110.999 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -87.18 38.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -161.06 -35.48 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.41 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.798 HG21 ' HB2' ' A' ' 26' ' ' TRP . 24.1 t -89.7 129.69 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.718 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.5 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 0.0 OUTLIER -131.75 95.76 3.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.504 -179.555 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.617 ' HB3' ' HB3' ' A' ' 16' ' ' TYR . 17.8 m -100.59 97.53 6.74 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.524 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' ' 11' ' ' SER . 92.7 Cg_endo -80.61 -156.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.551 2.167 . . . . 0.0 113.449 -178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.31 128.37 19.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.952 -179.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.58 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 81.22 8.01 87.76 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.824 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.617 ' HB3' ' HB3' ' A' ' 12' ' ' CYS . 92.9 m-85 -121.63 155.68 34.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.072 0.463 . . . . 0.0 111.306 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.538 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 98.0 m -127.07 138.48 53.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.234 179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.406 ' O ' ' SG ' ' A' ' 18' ' ' CYS . 13.7 p -103.8 114.22 28.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.212 0.53 . . . . 0.0 110.495 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 0.7 OUTLIER -149.49 139.36 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.259 -179.184 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.535 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 15.2 mmt180 -53.15 147.58 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.5 mt -105.31 -87.92 0.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.558 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -94.39 28.16 2.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.324 179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.48 9.19 4.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.117 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -108.16 -14.78 15.79 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.028 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -169.22 177.93 4.57 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.746 0.308 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.798 ' HB2' HG21 ' A' ' 10' ' ' VAL . 71.7 m95 -101.38 159.28 15.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -134.19 156.0 22.15 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.545 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 17' ' ' THR . 99.3 m -105.1 113.78 27.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.883 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 3.7 t -104.41 119.41 53.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.853 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.58 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 95.3 Cg_endo -74.52 66.79 5.55 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.866 2.377 . . . . 0.0 112.548 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.486 ' HZ ' ' H ' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -161.98 -171.2 2.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.072 -179.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.22 129.95 34.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.51 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -46.33 111.46 0.37 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.901 0.381 . . . . 0.0 111.413 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -157.97 -62.52 0.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.6 ' HB ' ' HB3' ' A' ' 43' ' ' CYS . 0.2 OUTLIER -112.23 -177.65 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.864 179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.492 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 1.9 m -147.99 -74.84 0.19 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.933 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 46.38 -151.97 0.07 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.464 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -80.33 -168.2 1.6 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.17 109.16 9.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.825 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.48 -35.18 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.946 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -165.23 -30.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.295 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -169.26 169.66 9.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.999 0.428 . . . . 0.0 111.308 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.6 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 56.5 m -94.87 72.14 3.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.364 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 82.0 m 66.63 144.55 0.09 OUTLIER Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.322 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.889 ' HD2' ' HB2' ' A' ' 48' ' ' PHE . 28.0 Cg_exo -62.14 -141.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.925 2.417 . . . . 0.0 112.668 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.08 -83.74 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.778 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.71 43.33 1.47 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.849 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.889 ' HB2' ' HD2' ' A' ' 45' ' ' PRO . 0.7 OUTLIER -93.2 137.32 32.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.697 0.284 . . . . 0.0 110.293 179.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 1.1 m -102.53 131.98 48.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 111.274 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.658 ' HB2' ' HA2' ' A' ' 55' ' ' GLY . 0.8 OUTLIER -85.1 127.42 34.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.141 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.448 ' HB2' ' H ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -84.5 134.23 34.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.894 179.452 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.727 HG22 ' HB1' ' A' ' 64' ' ' ALA . 8.8 t -49.15 -25.38 2.15 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -178.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.436 ' HB2' ' OD2' ' A' ' 51' ' ' ASP . 12.8 tt0 -52.98 -36.03 59.77 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.158 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' HD3' ' O ' ' A' ' 54' ' ' LYS . 0.0 OUTLIER -173.31 36.09 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.672 0.273 . . . . 0.0 110.859 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.658 ' HA2' ' HB2' ' A' ' 50' ' ' CYS . . . 53.08 46.99 61.3 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.239 -179.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.549 ' C ' ' HA ' ' A' ' 50' ' ' CYS . 6.6 m -83.79 103.57 13.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 111.405 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 49' ' ' THR . 14.9 m -84.01 120.74 26.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.923 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -138.67 164.17 30.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.619 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -46.61 119.71 2.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.014 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.09 -175.89 0.13 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.894 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 pp -80.31 153.44 28.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.125 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -124.57 8.52 8.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 57.15 30.26 18.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.286 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.727 ' HB1' HG22 ' A' ' 52' ' ' THR . . . 61.05 105.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.411 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.448 ' H ' ' HB2' ' A' ' 51' ' ' ASP . 9.1 mt -64.5 143.51 57.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -135.44 146.56 48.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 61.87 103.68 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.209 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -80.0 143.23 34.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.753 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -81.77 141.52 33.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.06 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -107.39 -148.11 0.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.449 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -128.9 129.84 46.04 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.825 0.345 . . . . 0.0 110.939 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.4 m80 . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.884 -179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.755 0.312 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -131.23 125.87 34.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.88 158.84 36.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.419 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 21.8 t -100.12 115.52 41.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.62 135.28 52.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.7 m -140.67 118.31 11.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.74 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 t70 61.8 167.83 0.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.954 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 mtm -92.8 56.33 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -171.67 -8.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.751 HG21 ' HB2' ' A' ' 26' ' ' TRP . 0.2 OUTLIER -125.03 134.82 65.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.22 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.409 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 5.6 t -135.79 99.01 4.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.075 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.419 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 2.9 m -106.18 91.02 5.13 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.294 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' A' ' 11' ' ' SER . 88.1 Cg_endo -78.96 -154.32 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.666 2.244 . . . . 0.0 112.897 -179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -56.46 133.11 52.96 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.464 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.456 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 84.96 -11.73 59.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.247 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.447 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 54.6 m-85 -104.46 153.49 21.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.011 0.434 . . . . 0.0 111.257 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 10.6 t -121.63 140.32 52.41 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.84 178.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.68 110.82 23.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.603 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 36' ' ' CYS . 0.6 OUTLIER -148.45 142.36 25.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.374 -179.735 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.541 ' HE ' ' HA ' ' A' ' 23' ' ' SER . 0.4 OUTLIER -57.13 152.86 12.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.788 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.1 mt -108.36 -78.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.642 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -107.35 29.85 6.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.381 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.541 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 8.2 t 63.65 10.5 5.07 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.867 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -116.42 -11.36 9.7 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.306 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -167.83 161.35 13.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.864 0.364 . . . . 0.0 111.425 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.751 ' HB2' HG21 ' A' ' 10' ' ' VAL . 90.6 m95 -89.69 163.45 15.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.699 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -137.66 144.78 16.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.676 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.629 ' SG ' HG12 ' A' ' 10' ' ' VAL . 86.4 m -108.71 108.65 19.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 111.045 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.502 ' HB3' HG22 ' A' ' 17' ' ' THR . 0.5 OUTLIER -103.89 117.9 58.54 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.231 179.428 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 76.3 Cg_endo -78.67 69.84 7.6 Favored 'Trans proline' 0 C--N 1.35 0.616 0 C-N-CA 123.097 2.531 . . . . 0.0 113.26 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.406 ' CE1' ' HB3' ' A' ' 29' ' ' CYS . 0.1 OUTLIER -161.88 179.91 7.68 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.096 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.6 t -83.21 -175.29 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.739 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 56.41 -160.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.83 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -148.64 115.67 6.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 0.0 111.397 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.2 t -128.27 138.53 54.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 19' ' ' CYS . 0.6 OUTLIER -174.84 39.5 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.675 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -64.36 168.66 5.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.233 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -68.13 168.39 12.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 55.58 -161.99 0.16 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.97 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 57.21 -168.13 0.12 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.3 tp -143.01 -20.64 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.795 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 40.7 m80 -112.79 165.97 11.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.845 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.83 27.3 3.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.739 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.408 ' HB3' ' HD2' ' A' ' 45' ' ' PRO . 84.9 m 63.28 157.33 0.12 Allowed Pre-proline 0 CA--C 1.529 0.15 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.168 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.557 ' HG2' ' CG ' ' A' ' 48' ' ' PHE . 13.3 Cg_endo -57.19 -178.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.443 2.096 . . . . 0.0 112.172 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.6 128.28 35.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 112.033 -179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.8 -20.52 49.44 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.93 -0.652 . . . . 0.0 113.287 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.563 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 0.6 OUTLIER -83.46 110.11 17.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.085 0.469 . . . . 0.0 111.334 -179.093 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.625 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 2.2 m -104.74 143.87 32.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.388 179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' A' ' 57' ' ' CYS . 0.8 OUTLIER -84.03 130.26 34.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.054 0.454 . . . . 0.0 110.999 -179.87 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.763 ' HB2' ' HB ' ' A' ' 56' ' ' THR . 0.1 OUTLIER -83.35 136.21 34.43 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.129 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.672 HG23 HD12 ' A' ' 65' ' ' LEU . 6.1 t -74.06 47.38 0.27 Allowed 'General case' 0 C--O 1.232 0.155 0 O-C-N 124.074 0.859 . . . . 0.0 111.779 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' HG2' ' HB3' ' A' ' 51' ' ' ASP . 5.1 pt20 -132.26 -27.98 1.74 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.127 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -174.07 32.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.837 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.08 51.03 52.93 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.763 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 1.4 m -84.23 103.8 13.73 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -178.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.625 ' HA ' ' O ' ' A' ' 49' ' ' THR . 2.8 m -85.36 120.31 26.7 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.54 179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.563 ' O ' ' HA ' ' A' ' 48' ' ' PHE . 19.6 mt-10 -142.25 156.02 45.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.08 0.467 . . . . 0.0 112.035 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -54.31 111.74 0.84 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.165 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.7 mttt 64.85 -73.16 0.06 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.698 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 mp -57.02 -174.68 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.913 0.387 . . . . 0.0 111.502 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . 68.41 50.06 0.75 Allowed 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.987 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -93.46 -37.77 11.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.055 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.535 ' HA ' HG22 ' A' ' 52' ' ' THR . . . -165.24 77.42 0.29 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.075 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.672 HD12 HG23 ' A' ' 52' ' ' THR . 0.2 OUTLIER 66.78 147.51 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.233 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -127.45 -169.42 2.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.971 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -134.49 12.3 3.78 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.081 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 -144.85 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 43.2 m80 63.02 -171.72 0.17 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.829 0.347 . . . . 0.0 111.093 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.97 -5.9 25.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.139 -179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -113.94 173.22 6.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.964 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.4 p80 . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.929 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.767 0.317 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.417 ' HB3' ' H ' ' A' ' 3' ' ' ASP . 27.0 mmm 55.49 -113.49 0.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.417 ' H ' ' HB3' ' A' ' 2' ' ' MET . 0.0 OUTLIER 64.56 141.05 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.038 0.446 . . . . 0.0 111.309 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.418 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 21.2 t -93.6 101.25 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.904 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HE2' ' O ' ' A' ' 10' ' ' VAL . 1.2 mmpt? -95.09 100.02 11.91 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.005 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.36 123.39 29.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.63 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 t0 61.66 14.57 6.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.047 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.9 mtt 51.69 39.03 24.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.975 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -139.73 -24.01 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.737 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.734 HG21 ' HB2' ' A' ' 26' ' ' TRP . 86.8 t -117.94 142.85 30.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.739 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.8 t -113.1 96.08 5.74 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.418 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 62.5 m -113.36 84.77 7.92 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -66.92 -165.33 0.1 OUTLIER 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.702 2.268 . . . . 0.0 113.171 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -50.12 132.54 23.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.345 -179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 84.64 0.76 89.26 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.716 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 92.6 m-85 -116.47 153.07 32.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.161 0.505 . . . . 0.0 111.469 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.547 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 98.2 m -121.88 134.77 54.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.189 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 19.8 p -104.05 105.08 15.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.073 0.463 . . . . 0.0 111.056 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 t -135.07 139.39 44.71 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.281 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.481 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 0.8 OUTLIER -53.94 159.71 1.67 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.363 179.116 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.91 -26.18 7.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.404 0.621 . . . . 0.0 109.64 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 23' ' ' SER . 3.9 tt0 -172.09 -46.99 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.541 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.484 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 0.2 OUTLIER 170.25 -32.01 0.0 OUTLIER 'General case' 0 C--O 1.231 0.095 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.144 179.802 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -49.76 -51.5 28.45 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.683 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -166.59 -165.99 0.81 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.784 0.326 . . . . 0.0 110.947 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.734 ' HB2' HG21 ' A' ' 10' ' ' VAL . 38.5 m95 -106.41 156.45 18.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.809 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -116.82 154.65 16.65 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.219 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 17' ' ' THR . 85.6 m -104.64 116.91 32.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.834 0.349 . . . . 0.0 111.362 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 1.3 t -103.53 114.16 65.05 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.734 179.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.52 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 87.3 Cg_endo -74.07 72.81 3.92 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.24 2.626 . . . . 0.0 113.211 -178.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -165.88 -170.26 1.72 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.573 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.65 -158.79 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.872 179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -109.0 -165.51 1.03 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.632 0.253 . . . . 0.0 111.259 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 35' ' ' VAL . . . 69.61 86.05 0.13 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.603 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.493 HG11 ' O ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -160.88 -177.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.867 179.567 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 27.0 m 58.53 25.33 12.96 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.185 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.0 m -54.19 -64.69 0.75 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.925 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -116.14 -10.89 11.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -112.39 -179.43 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.788 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -159.68 49.37 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.721 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -163.09 -13.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.29 98.95 4.1 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.493 ' O ' HG11 ' A' ' 35' ' ' VAL . 0.8 OUTLIER -82.39 26.9 0.52 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 96.7 m 64.01 142.53 0.07 OUTLIER Pre-proline 0 N--CA 1.463 0.208 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.308 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -56.78 163.76 6.85 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.511 2.14 . . . . 0.0 112.184 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.55 121.74 15.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.323 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.58 -22.72 14.54 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.784 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.527 ' HD1' ' N ' ' A' ' 59' ' ' GLN . 7.0 m-85 -114.83 159.12 21.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.108 0.48 . . . . 0.0 111.68 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 9.3 t -132.52 172.82 12.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.403 179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.97 115.25 22.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.939 0.399 . . . . 0.0 110.449 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.487 ' OD1' HG23 ' A' ' 49' ' ' THR . 12.9 m-20 -110.35 168.38 9.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.28 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 62.94 10.49 4.41 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.492 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.17 6.46 0.71 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.243 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 -38.51 9.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.361 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 129.29 33.48 0.53 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.566 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.08 111.81 20.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.697 0.284 . . . . 0.0 110.748 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.565 ' HA ' ' O ' ' A' ' 49' ' ' THR . 14.2 m -83.66 103.47 13.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.073 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.43 ' C ' ' HD1' ' A' ' 48' ' ' PHE . 19.1 mt-10 -134.62 164.66 27.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.193 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.527 ' N ' ' HD1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -73.84 65.44 1.04 Allowed 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.849 -179.556 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm 48.66 84.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.124 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -124.07 -6.33 7.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.31 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -160.32 2.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.423 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.12 -87.51 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.35 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -157.42 70.71 0.61 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.237 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 54.83 81.53 0.11 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.969 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -157.48 -59.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 40.9 m80 -66.76 159.0 28.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.57 168.64 10.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -131.72 -173.73 3.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -95.7 75.74 3.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -121.24 178.32 4.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.973 179.908 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.755 0.312 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 46.8 mtm 58.8 95.57 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.067 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.73 -61.07 1.8 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.161 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 3.7 t -104.02 127.56 58.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.954 0.407 . . . . 0.0 111.379 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -126.22 133.68 51.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.344 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 -12.08 15.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.334 -179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -167.73 174.77 7.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.834 0.349 . . . . 0.0 110.977 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttm -84.86 46.31 1.25 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.85 -12.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.996 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.72 165.59 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.045 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.3 p -158.52 84.85 0.84 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.141 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.476 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 40.0 m -103.41 93.84 5.26 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.845 179.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -73.24 -164.93 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.437 2.091 . . . . 0.0 112.815 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.83 131.28 35.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.435 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.516 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 89.33 -5.2 84.25 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.72 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 81.1 m-85 -111.77 158.14 19.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.138 0.494 . . . . 0.0 111.31 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 4.2 m -129.46 145.43 51.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.804 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 28.1 p -103.7 109.24 20.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.135 0.493 . . . . 0.0 110.826 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.37 131.75 45.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.173 -179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.453 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 0.0 OUTLIER -54.25 155.35 3.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.638 -179.715 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 20.7 mt -139.65 105.47 5.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.061 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 63.23 19.4 11.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.414 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.42 6.35 1.91 Allowed 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.778 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.48 -28.04 41.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.048 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 20' ' ' ARG . . . -176.57 -166.92 0.17 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.453 ' CE3' ' HG2' ' A' ' 20' ' ' ARG . 71.0 m95 -110.84 162.81 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.89 0.376 . . . . 0.0 110.702 179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -131.26 156.64 21.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.376 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 17' ' ' THR . 84.7 m -105.34 109.5 21.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.893 0.378 . . . . 0.0 111.242 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.537 ' HB3' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER -104.23 124.61 36.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.253 179.498 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.516 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 91.9 Cg_endo -77.26 66.69 7.82 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.897 2.398 . . . . 0.0 112.954 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.537 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 0.2 OUTLIER -163.08 173.31 13.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.988 179.79 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.2 t -82.24 159.64 23.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.074 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 60.55 -169.24 0.16 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -125.72 177.82 6.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.011 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.531 HG23 ' HZ ' ' A' ' 31' ' ' PHE . 13.6 t -144.05 -66.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.0 m 62.87 95.36 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.26 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.412 ' HB3' ' H ' ' A' ' 38' ' ' GLU . 58.2 m -116.2 -146.1 0.4 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.285 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.412 ' H ' ' HB3' ' A' ' 37' ' ' CYS . 6.1 mt-10 -137.95 164.89 27.89 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.75 0.309 . . . . 0.0 111.201 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 t70 62.65 166.78 0.12 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.456 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -69.06 100.29 1.22 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.581 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.446 HG13 ' H ' ' A' ' 42' ' ' HIS . 0.5 OUTLIER -170.94 159.38 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.446 ' H ' HG13 ' A' ' 41' ' ' ILE . 40.5 p-80 -82.52 170.71 14.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.087 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.515 ' HB3' HG21 ' A' ' 35' ' ' VAL . 34.5 m -63.0 177.27 0.6 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 6.0 m -56.86 141.07 75.64 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.807 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 44' ' ' CYS . 2.7 Cg_exo -75.48 31.78 0.38 Allowed 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.811 2.341 . . . . 0.0 112.274 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.47 125.34 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.56 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.1 -18.99 25.54 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.536 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.433 ' HB2' ' HB3' ' A' ' 57' ' ' CYS . 5.7 m-85 -119.91 169.85 9.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.824 0.345 . . . . 0.0 110.894 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.59 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 26.3 p -126.08 136.0 52.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.433 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.501 ' HB2' HG13 ' A' ' 35' ' ' VAL . 9.2 t -84.22 102.96 13.02 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.106 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.52 ' HB2' ' HA ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -82.29 123.47 29.09 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.006 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 59.1 p -55.37 -28.28 52.88 Favored 'General case' 0 CA--C 1.522 -0.127 0 O-C-N 123.935 0.772 . . . . 0.0 112.048 -178.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.556 ' HB2' ' HB3' ' A' ' 64' ' ' ALA . 5.3 tt0 -51.69 -28.21 14.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.6 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.21 17.97 0.56 Allowed 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.91 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 51' ' ' ASP . . . 42.5 47.14 5.78 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -179.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 5.5 t -122.25 138.21 54.57 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -178.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 49' ' ' THR . 40.6 m -95.46 115.13 27.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.52 179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -135.74 173.4 11.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.0 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.43 84.77 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.654 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.41 -164.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.957 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.85 66.9 0.86 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.565 179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.664 ' HB1' ' HB2' ' A' ' 65' ' ' LEU . . . -90.91 -47.34 7.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.693 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 63.72 -96.14 0.05 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.022 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.556 ' HB3' ' HB2' ' A' ' 53' ' ' GLN . . . -41.24 -41.47 1.87 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.664 ' HB2' ' HB1' ' A' ' 62' ' ' ALA . 0.6 OUTLIER -35.64 112.14 0.15 Allowed 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.305 0.378 . . . . 0.0 111.95 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 55.41 51.64 12.58 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.768 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.6 m80 47.9 81.56 0.05 OUTLIER 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.359 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 56.92 -171.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.052 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.46 -2.75 2.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.782 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -89.1 -27.22 20.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.796 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 12.4 t60 55.27 62.54 2.44 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.72 0.295 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.68 -148.04 0.5 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.789 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.669 ' HB3' ' HA ' ' A' ' 13' ' ' PRO . 15.5 m-20 63.17 176.14 0.15 Allowed 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 4.1 t -91.02 87.57 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.202 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.0 mttp -93.58 108.64 20.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.736 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -74.43 -18.08 60.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.003 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -155.26 -164.78 1.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.6 ptm -104.49 40.95 1.38 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.956 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -159.01 -29.55 0.07 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.503 HG21 ' HB2' ' A' ' 26' ' ' TRP . 57.9 t -103.05 133.37 47.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.792 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.6 t -123.2 97.21 5.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.976 0.417 . . . . 0.0 111.706 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.448 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 23.3 m -106.41 93.6 8.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.532 178.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.669 ' HA ' ' HB3' ' A' ' 3' ' ' ASP . 97.7 Cg_endo -76.05 -158.87 0.09 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 122.47 2.113 . . . . 0.0 112.882 -178.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -54.45 132.6 44.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.527 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.34 -14.42 57.77 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.61 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.499 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 60.3 m-85 -103.33 153.13 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.098 0.475 . . . . 0.0 111.712 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.454 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 5.6 t -128.3 149.91 50.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.954 178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 8.7 p -104.4 114.1 28.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.004 0.431 . . . . 0.0 111.338 -179.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 m -134.21 131.69 38.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.527 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HG2' ' CE3' ' A' ' 26' ' ' TRP . 1.0 OUTLIER -54.42 143.2 24.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.909 0.385 . . . . 0.0 110.808 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.9 mt -104.43 -97.4 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.395 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.26 35.11 1.01 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.18 0.514 . . . . 0.0 109.707 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 54.81 17.05 1.62 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.111 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.53 -13.59 20.21 Favored Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.39 -172.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.443 -0.378 . . . . 0.0 110.174 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.503 ' HB2' HG21 ' A' ' 10' ' ' VAL . 72.3 m95 -110.4 159.98 16.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.94 0.4 . . . . 0.0 110.982 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.471 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -123.07 150.39 16.83 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.574 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 17' ' ' THR . 96.0 m -104.77 110.53 22.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.877 0.37 . . . . 0.0 110.878 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -105.51 122.06 44.03 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.477 179.609 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -78.88 53.84 4.86 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.825 2.35 . . . . 0.0 111.952 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.674 ' HB2' HG23 ' A' ' 35' ' ' VAL . 4.9 p90 -65.61 168.89 6.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.528 -179.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.0 t -139.19 19.11 2.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.995 179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -177.18 -66.8 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.85 -1.068 . . . . 0.0 110.226 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.96 108.22 0.07 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.054 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 31' ' ' PHE . 2.0 t -124.53 -37.94 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.246 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.1 m -53.97 -39.7 66.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.279 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 80.0 m 60.8 123.18 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.354 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -63.38 -110.95 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.253 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 52.95 -91.58 0.03 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.797 0.332 . . . . 0.0 110.928 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -168.74 36.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.414 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.2 -175.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.723 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -137.9 -175.0 3.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.376 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 44' ' ' CYS . 57.7 m -45.35 -21.62 0.1 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.205 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.489 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 55.5 m 67.77 160.73 0.14 Allowed Pre-proline 0 N--CA 1.463 0.205 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.352 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_exo -44.2 160.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 122.984 2.456 . . . . 0.0 112.947 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.95 154.23 19.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.546 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.65 -19.33 41.43 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.545 ' HD1' ' N ' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -84.2 177.48 8.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.078 0.466 . . . . 0.0 110.797 -179.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.555 ' H ' ' H ' ' A' ' 58' ' ' GLU . 54.5 m -158.9 130.22 6.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.812 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.9 110.79 18.67 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.199 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.435 ' OD1' ' HA ' ' A' ' 62' ' ' ALA . 0.9 OUTLIER -83.42 124.33 30.57 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.562 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.41 -14.07 2.72 Favored 'General case' 0 C--N 1.331 -0.231 0 O-C-N 123.957 0.786 . . . . 0.0 111.244 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.501 ' HG3' ' HB1' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -58.3 -31.21 67.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.928 179.491 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 tmtm? -171.79 31.78 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.477 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 47.43 47.95 22.09 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.371 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.48 122.07 43.61 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 49' ' ' THR . 27.4 p -87.23 129.91 34.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.907 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.555 ' H ' ' H ' ' A' ' 49' ' ' THR . 3.6 pt-20 -143.49 132.56 22.98 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.288 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -59.96 79.45 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.84 -179.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 175.53 -91.82 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 179.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 61' ' ' LEU . 4.1 mt -164.48 178.96 7.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.714 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.486 ' HB3' ' HG3' ' A' ' 66' ' ' GLU . . . -86.12 74.46 10.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.018 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.31 -24.73 67.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.501 ' HB1' ' HG3' ' A' ' 53' ' ' GLN . . . -79.59 -63.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.219 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 mt -136.98 110.17 7.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.486 ' HG3' ' HB3' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -130.64 129.05 42.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.977 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -101.41 -79.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -142.4 109.04 5.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.845 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.401 ' HB3' ' H ' ' A' ' 70' ' ' HIS . 11.7 t60 -71.53 -83.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.996 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.401 ' H ' ' HB3' ' A' ' 69' ' ' HIS . 0.1 OUTLIER -154.34 -57.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 -179.897 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.4 m80 66.01 138.06 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.214 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.6 m170 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.975 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.264 0 CA-C-O 120.797 0.332 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.26 -164.99 0.98 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -115.5 167.24 11.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.43 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 5.1 t -127.69 134.67 64.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.149 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.1 -160.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.418 179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -154.53 -65.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.679 0.276 . . . . 0.0 111.175 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.407 ' HB2' ' NE1' ' A' ' 26' ' ' TRP . 1.9 t0 -113.09 30.58 7.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.021 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.9 mtt 54.18 35.24 22.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.818 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -136.07 -47.87 0.66 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.596 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.407 HG22 ' SG ' ' A' ' 28' ' ' CYS . 2.7 p -89.64 156.44 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.679 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.521 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 2.8 m -129.94 88.11 2.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.017 0.436 . . . . 0.0 111.46 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 60.1 m -95.29 100.31 5.69 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.462 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.521 ' HD3' ' O ' ' A' ' 11' ' ' SER . 97.1 Cg_endo -78.62 -154.13 0.05 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.382 2.054 . . . . 0.0 113.168 -178.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -54.53 123.95 14.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.786 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 89.91 -20.28 36.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.859 -0.686 . . . . 0.0 113.1 179.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.549 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 24.9 m-85 -93.3 151.4 19.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.155 0.502 . . . . 0.0 111.792 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.619 HG22 ' HB2' ' A' ' 29' ' ' CYS . 6.1 t -130.75 158.57 39.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.359 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 31.9 p -104.68 114.68 29.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.111 0.482 . . . . 0.0 111.503 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -131.47 127.39 37.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.359 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.54 143.41 19.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.313 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' A' ' 23' ' ' SER . 25.3 mt -115.71 7.04 14.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.683 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.557 ' C ' ' H ' ' A' ' 24' ' ' GLY . 3.8 mp0 70.43 -17.57 0.27 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.635 -179.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.468 ' H ' ' C ' ' A' ' 21' ' ' LEU . 0.3 OUTLIER -73.54 26.67 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.203 0.525 . . . . 0.0 109.722 179.538 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' A' ' 22' ' ' GLN . . . 70.16 10.87 66.35 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.194 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.63 178.89 7.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.758 0.314 . . . . 0.0 111.085 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.407 ' NE1' ' HB2' ' A' ' 7' ' ' ASP . 71.8 m95 -107.59 165.06 11.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -126.61 155.31 19.51 Favored Glycine 0 C--N 1.331 0.281 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.562 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 17' ' ' THR . 34.3 m -105.46 119.17 38.44 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.902 0.382 . . . . 0.0 111.256 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.619 ' HB2' HG22 ' A' ' 17' ' ' THR . 1.3 m -111.46 111.6 54.88 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.378 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.519 ' HB3' ' CE2' ' A' ' 16' ' ' TYR . 57.9 Cg_endo -85.01 62.48 6.09 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 123.131 2.554 . . . . 0.0 112.359 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.461 ' CE2' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -115.18 -161.73 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.415 -179.257 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.2 p -122.7 57.53 1.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.33 . . . . 0.0 111.273 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 64.82 125.87 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.6 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.461 ' HB3' ' CE2' ' A' ' 31' ' ' PHE . . . -171.17 -151.18 0.07 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.618 179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.592 ' O ' ' HB3' ' A' ' 42' ' ' HIS . 11.6 t -116.86 138.6 46.96 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 CA-C-O 120.68 0.276 . . . . 0.0 111.362 -179.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.907 ' HB2' ' HB2' ' A' ' 44' ' ' CYS . 0.1 OUTLIER -71.78 15.97 0.13 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.57 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.447 ' H ' ' C ' ' A' ' 35' ' ' VAL . 0.8 OUTLIER -72.86 163.07 28.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.74 179.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 57.32 -169.12 0.11 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.87 95.59 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -159.87 -48.21 0.05 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.602 HD13 ' O ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -169.11 -27.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.592 ' HB3' ' O ' ' A' ' 35' ' ' VAL . 70.6 m80 -54.23 161.29 1.36 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.225 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.77 ' HA ' ' HA ' ' A' ' 36' ' ' CYS . 1.2 m -166.89 171.32 11.39 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.099 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.907 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . 0.0 OUTLIER -137.87 134.94 18.35 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.873 179.782 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -68.99 162.39 41.9 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.413 2.075 . . . . 0.0 112.081 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.432 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . . . 55.39 -170.7 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.204 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.3 50.5 4.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.671 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' HA ' ' O ' ' A' ' 58' ' ' GLU . 9.3 m-30 -90.62 138.48 31.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.082 0.468 . . . . 0.0 111.694 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.644 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -131.37 165.53 23.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.732 178.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 96.2 m -83.25 131.46 35.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.945 0.402 . . . . 0.0 110.796 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.732 ' HB2' ' HB ' ' A' ' 56' ' ' THR . 1.2 m-20 -120.84 172.88 7.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.992 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.17 14.36 5.46 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.095 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.598 ' HB2' ' HB1' ' A' ' 64' ' ' ALA . 0.0 OUTLIER 59.89 7.44 1.13 Allowed 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.351 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -104.45 -68.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.985 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 171.14 38.15 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.648 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.732 ' HB ' ' HB2' ' A' ' 51' ' ' ASP . 32.4 m -84.85 104.03 14.45 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.774 0.321 . . . . 0.0 110.632 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.644 ' HA ' ' O ' ' A' ' 49' ' ' THR . 0.6 OUTLIER -83.45 114.84 21.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.369 -179.358 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 48' ' ' PHE . 2.3 pt-20 -151.29 169.78 21.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.811 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.78 98.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.421 -179.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp 55.05 -160.19 0.17 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.492 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 67.02 147.44 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.467 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -153.8 -56.95 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.818 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 61.25 -86.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.803 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.598 ' HB1' ' HB2' ' A' ' 53' ' ' GLN . . . -49.8 -47.76 51.03 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.573 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.509 ' HA ' ' HG2' ' A' ' 53' ' ' GLN . 0.2 OUTLIER -63.88 140.74 58.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.939 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.64 -166.87 1.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.24 -79.27 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -132.59 -55.77 0.95 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.808 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.68 108.2 6.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.67 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.54 ' HB3' ' H ' ' A' ' 71' ' ' HIS . 0.1 OUTLIER -77.71 -101.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.045 -179.727 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.54 ' H ' ' HB3' ' A' ' 70' ' ' HIS . 7.1 m-70 -131.13 -51.2 1.02 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.752 0.31 . . . . 0.0 110.905 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.85 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.841 0.353 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.13 97.77 11.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.661 ' HB2' ' HA ' ' A' ' 13' ' ' PRO . 5.7 p30 -133.35 174.42 10.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.824 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.449 ' HB ' ' O ' ' A' ' 12' ' ' CYS . 3.5 t -76.42 91.65 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 110.706 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -94.68 128.91 41.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.451 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.462 ' HB2' HG11 ' A' ' 10' ' ' VAL . 1.6 m -118.31 120.18 36.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.983 179.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.22 -159.63 0.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.372 -179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -118.93 44.74 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.69 0.281 . . . . 0.0 111.166 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -162.15 22.61 0.11 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.258 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.462 HG11 ' HB2' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -148.1 159.44 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.975 179.795 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.6 t -151.91 90.79 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 3.2 m -105.09 93.32 6.35 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.403 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.661 ' HA ' ' HB2' ' A' ' 3' ' ' ASP . 84.9 Cg_endo -78.18 -163.45 0.22 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.569 2.179 . . . . 0.0 112.974 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.98 130.29 33.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.562 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.534 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 89.91 -1.1 80.26 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.589 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -114.09 155.56 25.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.085 0.469 . . . . 0.0 111.72 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 29' ' ' CYS . 14.7 t -121.68 146.83 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.002 178.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.8 111.84 24.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.893 0.378 . . . . 0.0 111.571 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -136.94 138.68 40.87 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.671 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 26' ' ' TRP . 1.1 mmt85 -62.65 153.18 33.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.258 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.3 mt -105.99 -98.46 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.679 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -93.96 32.42 1.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.9 0.381 . . . . 0.0 110.126 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.35 9.66 3.44 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.72 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.1 -15.14 16.93 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.02 -0.61 . . . . 0.0 112.153 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -169.0 179.73 3.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.748 0.309 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 20' ' ' ARG . 96.1 m95 -104.9 166.13 10.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.799 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -139.43 144.42 15.2 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.891 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 17' ' ' THR . 56.7 m -104.75 121.59 43.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.591 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.538 ' O ' HG22 ' A' ' 17' ' ' THR . 34.5 t -123.01 126.54 25.98 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.369 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.534 ' HA ' ' O ' ' A' ' 15' ' ' GLY . 91.2 Cg_endo -78.68 52.23 4.11 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.656 2.237 . . . . 0.0 111.921 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.454 ' CE1' ' HB ' ' A' ' 17' ' ' THR . 0.8 OUTLIER -64.29 171.91 2.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.521 -179.509 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.4 p -139.61 62.2 1.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.927 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 61.17 48.98 5.84 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.366 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -141.99 -78.19 0.26 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.768 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.706 ' HB ' ' HB3' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -112.2 -172.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.936 -179.068 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.401 ' H ' ' H ' ' A' ' 37' ' ' CYS . 0.0 OUTLIER -170.14 -24.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.93 179.715 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' H ' ' H ' ' A' ' 36' ' ' CYS . 0.1 OUTLIER -78.44 119.33 21.6 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.646 179.756 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -85.25 137.7 32.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.223 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -102.24 -50.22 3.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.573 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.438 ' C ' HG13 ' A' ' 41' ' ' ILE . 2.3 t60 -135.1 -62.55 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.901 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.438 HG13 ' C ' ' A' ' 40' ' ' HIS . 0.2 OUTLIER -136.53 -10.96 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.298 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -146.7 167.07 24.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.886 0.374 . . . . 0.0 111.125 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.706 ' HB3' ' HB ' ' A' ' 35' ' ' VAL . 66.5 m -80.33 71.76 7.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.861 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 58.64 101.22 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.011 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -76.41 55.58 4.74 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.632 2.221 . . . . 0.0 112.589 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 64.6 147.53 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.57 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.61 -21.36 33.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.521 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.479 ' HD1' ' N ' ' A' ' 59' ' ' GLN . 1.3 m-85 -126.9 162.19 26.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.928 0.394 . . . . 0.0 111.358 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.575 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -137.28 169.56 17.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.817 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.459 ' HB3' ' CA ' ' A' ' 55' ' ' GLY . 59.9 m -83.96 115.98 22.58 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.601 0.563 . . . . 0.0 110.691 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.588 ' O ' ' HB ' ' A' ' 52' ' ' THR . 15.7 t0 179.87 -172.35 0.19 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.995 -179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER 101.99 -35.45 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 124.43 1.081 . . . . 0.0 111.426 179.629 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -178.44 -2.57 0.01 OUTLIER 'General case' 0 C--O 1.232 0.133 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -169.53 -44.84 0.02 OUTLIER 'General case' 0 CA--C 1.518 -0.253 0 C-N-CA 120.615 -0.434 . . . . 0.0 111.219 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.459 ' CA ' ' HB3' ' A' ' 50' ' ' CYS . . . 153.7 45.25 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.058 -179.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.6 p -84.44 138.79 32.62 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 49' ' ' THR . 15.7 m -82.74 104.73 13.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.853 0.359 . . . . 0.0 111.161 -179.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.46 ' C ' ' HB3' ' A' ' 48' ' ' PHE . 5.8 mm-40 -135.16 162.83 31.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.211 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.479 ' N ' ' HD1' ' A' ' 48' ' ' PHE . 5.8 tt0 -78.89 50.61 1.03 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.078 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.75 172.35 2.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.061 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' A' ' 61' ' ' LEU . 2.4 mm? 61.6 171.26 0.11 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.665 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -167.8 137.24 2.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.856 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 65.05 140.55 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.294 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.85 94.71 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.454 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mm? 47.75 73.29 0.21 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.304 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.03 70.31 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.455 ' HB3' ' H ' ' A' ' 68' ' ' HIS . 0.3 OUTLIER 51.7 -146.38 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.455 ' H ' ' HB3' ' A' ' 67' ' ' HIS . 10.3 p80 -149.91 -41.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.369 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -136.19 -166.54 1.89 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.955 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 58.42 -172.76 0.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.075 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.89 -163.67 0.17 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.071 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.166 -0.921 . . . . 0.0 110.919 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.759 0.314 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.43 107.09 17.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -160.04 123.05 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -88.23 142.73 12.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -136.53 122.5 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.797 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.6 -21.49 17.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.295 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.448 ' H ' HG12 ' A' ' 10' ' ' VAL . 0.8 OUTLIER -155.11 177.6 11.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.157 -179.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ttm -86.67 41.0 0.93 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.994 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -160.7 -22.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.448 HG12 ' H ' ' A' ' 7' ' ' ASP . 2.9 p -96.55 156.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.488 ' O ' ' HD3' ' A' ' 13' ' ' PRO . 4.5 p -148.64 86.18 1.52 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.003 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.5 m -100.32 97.58 6.56 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.05 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.488 ' HD3' ' O ' ' A' ' 11' ' ' SER . 86.6 Cg_endo -78.74 -165.06 0.31 Allowed 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.515 2.143 . . . . 0.0 112.869 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -49.84 124.6 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.004 -179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . 90.4 3.8 71.64 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.801 -0.636 . . . . 0.0 113.327 179.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.503 ' HA ' ' O ' ' A' ' 29' ' ' CYS . 85.8 m-85 -119.58 156.24 30.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.075 0.464 . . . . 0.0 111.79 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.555 ' O ' ' HA ' ' A' ' 28' ' ' CYS . 6.9 t -129.58 153.7 47.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.051 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 27' ' ' GLY . 21.0 p -104.27 123.48 47.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.914 0.387 . . . . 0.0 111.356 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -141.54 132.69 26.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.412 HH11 ' HB3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -61.42 155.08 22.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.743 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.6 mt -123.35 -96.43 0.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.6 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.41 ' HG2' ' H ' ' A' ' 22' ' ' GLN . 0.0 OUTLIER -96.35 27.91 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.125 0.488 . . . . 0.0 110.109 179.308 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 66.23 0.17 1.61 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.201 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.0 -31.06 49.6 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.729 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -176.89 177.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.625 -0.287 . . . . 0.0 110.563 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.406 ' CE3' ' HG2' ' A' ' 20' ' ' ARG . 79.2 m95 -90.92 161.75 15.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.954 0.407 . . . . 0.0 110.807 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.485 ' O ' ' HA ' ' A' ' 18' ' ' CYS . . . -125.84 150.4 17.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 17' ' ' THR . 71.2 m -106.62 113.58 27.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.942 0.401 . . . . 0.0 111.211 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 0.1 OUTLIER -104.58 127.06 29.75 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.194 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.438 ' HD2' ' SG ' ' A' ' 43' ' ' CYS . 49.7 Cg_endo -72.53 34.54 0.31 Allowed 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.538 2.159 . . . . 0.0 113.164 -178.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.44 ' H ' ' C ' ' A' ' 29' ' ' CYS . 0.2 OUTLIER 60.12 155.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.861 178.571 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.24 28.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.492 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 63.17 2.89 1.17 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.192 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.75 175.82 1.02 Allowed 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.107 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.663 HG11 ' SG ' ' A' ' 44' ' ' CYS . 42.4 t 65.08 154.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.198 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.487 ' N ' HG12 ' A' ' 35' ' ' VAL . 1.6 p -160.65 6.36 0.08 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.029 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.54 ' HB2' ' HA3' ' A' ' 55' ' ' GLY . 0.5 OUTLIER -103.69 106.16 16.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.856 -1.066 . . . . 0.0 110.533 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -167.42 139.94 3.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.201 0.524 . . . . 0.0 111.655 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.11 75.38 1.37 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.605 179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.9 t60 68.62 46.88 0.92 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.432 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.408 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 1.1 tt -154.86 18.99 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.208 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 41' ' ' ILE . 9.6 m170 67.05 156.0 0.1 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.663 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.438 ' SG ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -83.9 55.45 3.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.163 179.68 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.663 ' SG ' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER 53.28 83.12 0.23 Allowed Pre-proline 0 C--O 1.232 0.141 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.501 -179.18 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.583 ' HG2' ' HE2' ' A' ' 48' ' ' PHE . 61.4 Cg_endo -73.3 69.33 4.1 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.926 2.417 . . . . 0.0 113.215 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.93 147.74 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.207 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.8 -23.59 7.53 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.99 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.583 ' HE2' ' HG2' ' A' ' 45' ' ' PRO . 0.6 OUTLIER -119.27 -178.12 3.51 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.212 0.529 . . . . 0.0 111.199 -179.496 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 57' ' ' CYS . 0.2 OUTLIER -164.27 163.44 22.67 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.246 179.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.562 ' HB3' ' HA2' ' A' ' 55' ' ' GLY . 3.1 m -83.95 113.23 20.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.076 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -128.33 -173.92 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.259 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.665 HG21 ' HB2' ' A' ' 65' ' ' LEU . 1.4 p 64.5 17.14 10.68 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.507 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.63 11.9 0.98 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.457 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.66 -10.57 13.07 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.7 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.562 ' HA2' ' HB3' ' A' ' 50' ' ' CYS . . . 84.95 35.74 12.31 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.278 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.47 116.8 24.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.631 0.253 . . . . 0.0 110.954 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.56 ' HA ' ' O ' ' A' ' 49' ' ' THR . 55.8 m -83.31 109.25 17.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.008 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.477 ' C ' ' H ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -138.2 156.59 47.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.19 179.794 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.536 ' O ' ' HB3' ' A' ' 60' ' ' LYS . 0.5 OUTLIER -75.25 37.12 0.12 Allowed 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.294 -179.57 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.536 ' HB3' ' O ' ' A' ' 59' ' ' GLN . 2.2 ptpt 169.3 -169.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.531 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.77 129.18 55.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.658 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -121.65 -40.24 2.57 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.035 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.503 ' HA ' HG22 ' A' ' 52' ' ' THR . . . 64.77 158.43 0.09 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.609 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . 60.81 23.5 13.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.743 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.665 ' HB2' HG21 ' A' ' 52' ' ' THR . 0.8 OUTLIER -57.92 154.22 12.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.71 0.29 . . . . 0.0 110.939 179.778 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -69.24 -174.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.034 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.92 -167.29 0.47 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -80.4 157.63 26.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.831 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -115.25 83.77 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.8 76.79 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.605 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -88.92 20.17 3.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.073 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.897 179.896 . . . . . . . . 0 0 . 1 stop_ save_