data_2m0w_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 2m0w _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.9 t0 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.218 0.532 . . . . 1.0 110.195 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -47.35 -47.33 25.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.294 -0.879 . . . . 1.0 110.263 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -54.64 -28.97 50.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.936 . . . . 1.0 109.753 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -62.92 -36.16 82.47 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.338 -0.851 . . . . 1.0 109.858 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -68.03 -54.4 18.68 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.286 -0.884 . . . . 1.0 109.861 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.03 -24.47 9.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.17 -0.956 . . . . 1.0 109.314 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.518 ' HE2' ' CD1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -79.27 -45.69 19.24 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.434 -0.791 . . . . 1.0 110.118 179.757 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 12' ' ' SER . 23.5 m -57.36 -34.84 69.23 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 1.0 109.801 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -15.77 63.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.364 -0.835 . . . . 1.0 109.997 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt -102.42 -48.53 4.14 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.294 -0.879 . . . . 1.0 110.492 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.518 ' CD1' ' HE2' ' A' ' 7' ' ' MET . 2.3 m-85 -82.95 -39.45 21.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.196 -0.94 . . . . 1.0 110.654 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.1 OUTLIER -82.72 13.25 3.93 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.85 . . . . 1.0 110.334 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.33 -41.61 1.74 Allowed Glycine 0 N--CA 1.486 1.995 0 N-CA-C 109.916 -1.274 . . . . 1.0 109.916 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.643 ' CD2' ' N ' ' A' ' 15' ' ' SER . 17.6 p-90 -83.67 -41.91 17.23 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.201 -1.176 . . . . 1.0 110.676 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.643 ' N ' ' CD2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -81.96 -31.94 30.99 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.086 -1.009 . . . . 1.0 110.453 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t 52.14 20.92 1.43 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.083 -1.01 . . . . 1.0 109.382 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.454 ' O ' HG23 ' A' ' 19' ' ' THR . 22.0 t80 -135.01 -42.28 0.73 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.603 -0.685 . . . . 1.0 110.031 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 17' ' ' PHE . 50.8 p -40.92 -27.32 0.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.507 -0.745 . . . . 1.0 110.339 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 17' ' ' PHE . 8.8 t -50.42 -35.35 28.13 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.138 -0.976 . . . . 1.0 109.803 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.38 -44.45 58.51 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.162 -1.575 . . . . 1.0 109.162 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.48 -35.35 24.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.257 -1.143 . . . . 1.0 110.197 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 m -74.93 -19.83 59.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.311 -0.868 . . . . 1.0 110.304 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' THR . 2.9 mmmt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.388 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 2' ' ' PHE . 27.8 t70 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.335 0.588 . . . . 1.0 110.233 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' ASP . 10.9 t80 -43.55 -47.99 7.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.158 -0.964 . . . . 1.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.5 -38.39 71.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.297 -0.877 . . . . 1.0 109.904 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.49 -42.09 96.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.266 -0.896 . . . . 1.0 109.8 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -43.23 95.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.335 -0.853 . . . . 1.0 109.581 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.93 -31.25 68.5 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.311 -0.868 . . . . 1.0 109.315 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.457 ' CA ' ' HE1' ' A' ' 7' ' ' MET . 0.0 OUTLIER -79.98 -41.35 26.08 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.459 -0.775 . . . . 1.0 109.774 179.62 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -48.21 -31.86 6.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.39 -0.819 . . . . 1.0 110.004 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -72.4 -14.59 61.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.361 -0.837 . . . . 1.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 10' ' ' LEU . 16.2 mt -98.37 -45.03 6.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.237 -0.914 . . . . 1.0 110.334 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -41.54 17.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 1.0 110.336 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.38 0.23 34.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.884 . . . . 1.0 110.244 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.99 -43.27 6.41 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 109.699 -1.361 . . . . 1.0 109.699 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.593 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 19.1 p-90 -87.59 -29.22 21.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -1.176 . . . . 1.0 110.545 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.593 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -99.38 -25.29 14.52 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.197 -0.939 . . . . 1.0 110.358 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t 48.94 23.62 0.73 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.185 -0.947 . . . . 1.0 109.243 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -133.82 -41.27 0.84 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.563 -0.71 . . . . 1.0 110.018 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.437 HG23 ' HB3' ' A' ' 15' ' ' SER . 74.8 p -43.94 -26.02 0.24 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.412 -0.805 . . . . 1.0 110.418 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.1 t -61.82 -22.26 65.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.92 . . . . 1.0 110.201 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.41 -42.66 97.55 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.554 -1.418 . . . . 1.0 109.554 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.14 23.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -1.132 . . . . 1.0 110.356 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 m -70.58 -34.47 72.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.18 -0.95 . . . . 1.0 110.186 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.244 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 4' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.165 0.507 . . . . 1.0 110.378 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' ASP . 35.6 t80 -43.34 -47.28 6.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.158 -0.964 . . . . 1.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -27.09 68.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 1.0 109.4 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 1' ' ' ASP . 11.2 t30 -70.95 -38.01 72.82 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.416 -0.803 . . . . 1.0 109.466 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -69.97 -46.85 64.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.355 -0.84 . . . . 1.0 109.806 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.29 -36.94 54.22 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.276 -0.89 . . . . 1.0 109.521 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.571 ' HE3' ' CG ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -72.57 -46.85 52.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.457 -0.777 . . . . 1.0 109.871 179.39 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -42.82 -48.58 5.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.362 -0.836 . . . . 1.0 110.016 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 p -52.33 -26.27 11.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 1.0 109.891 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 7' ' ' MET . 5.4 mt -91.21 -44.3 9.31 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.358 -0.839 . . . . 1.0 110.167 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CG ' ' HE3' ' A' ' 7' ' ' MET . 0.2 OUTLIER -72.79 -48.75 35.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.227 -0.921 . . . . 1.0 110.248 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.46 ' HB2' ' HB ' ' A' ' 19' ' ' THR . 0.1 OUTLIER -73.74 -5.74 42.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.331 -0.856 . . . . 1.0 110.0 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.26 -32.46 31.46 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.012 -1.235 . . . . 1.0 110.012 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.582 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 16.0 p-90 -104.37 -30.99 9.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.063 -1.257 . . . . 1.0 110.842 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.582 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -97.75 -29.08 13.58 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.071 -1.018 . . . . 1.0 110.45 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 53.28 19.81 1.68 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.107 -0.996 . . . . 1.0 109.34 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' THR . 17.5 t80 -134.91 -45.99 0.73 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.427 -0.796 . . . . 1.0 110.34 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.42 HG23 ' CB ' ' A' ' 15' ' ' SER . 61.4 p -41.19 -35.23 0.57 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.396 -0.815 . . . . 1.0 110.608 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.46 ' HB ' ' HB2' ' A' ' 12' ' ' SER . 5.1 t -48.58 -42.94 35.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.112 -0.992 . . . . 1.0 110.489 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' N ' HG23 ' A' ' 19' ' ' THR . . . -45.94 -45.66 14.2 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.463 -1.455 . . . . 1.0 109.463 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.8 -39.08 64.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.302 -1.116 . . . . 1.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -32.57 74.29 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.924 . . . . 1.0 110.345 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' OXT' ' CG ' ' A' ' 23' ' ' LYS . 2.5 tpmt? . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 118.026 -0.988 . . . . 1.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 35.5 t70 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.198 0.523 . . . . 1.0 110.29 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -48.87 -47.83 42.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.126 -0.984 . . . . 1.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -23.2 44.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 1.0 109.868 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 3.8 t-20 -68.15 -36.33 79.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.336 -0.853 . . . . 1.0 109.893 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -69.75 -49.04 56.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.248 -0.908 . . . . 1.0 109.873 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.73 -34.48 27.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.141 -0.975 . . . . 1.0 109.443 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -46.41 11.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.385 -0.822 . . . . 1.0 109.883 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 12' ' ' SER . 2.1 m -53.0 -27.96 21.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.438 -0.789 . . . . 1.0 110.141 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 t -73.61 -19.13 60.95 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.288 -0.883 . . . . 1.0 110.404 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mt -110.03 -38.68 5.25 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.293 -0.88 . . . . 1.0 110.387 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.569 ' O ' ' CD1' ' A' ' 14' ' ' TRP . 1.1 m-85 -81.26 -39.15 25.74 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 1.0 110.197 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.5 OUTLIER -77.14 -8.1 56.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.322 -0.861 . . . . 1.0 110.053 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.19 -36.4 17.99 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.541 -1.423 . . . . 1.0 109.541 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.59 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 32.6 p-90 -88.26 -31.33 19.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.182 -1.187 . . . . 1.0 110.731 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.59 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 42.4 t -110.06 -28.53 8.65 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.137 -0.977 . . . . 1.0 110.627 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER 47.36 23.98 0.41 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.091 -1.006 . . . . 1.0 109.318 -179.262 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -125.16 -39.74 2.2 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.514 -0.741 . . . . 1.0 109.989 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.4 p -50.14 -20.16 0.94 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.609 -0.682 . . . . 1.0 110.615 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -67.72 -20.07 65.22 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.205 -0.934 . . . . 1.0 110.516 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.21 -43.9 98.47 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.949 -1.26 . . . . 1.0 109.949 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.22 -35.58 63.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.181 -1.188 . . . . 1.0 110.532 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.5 m -69.45 -35.46 75.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.162 -0.961 . . . . 1.0 110.355 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 118.049 -0.977 . . . . 1.0 110.142 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.318 0.58 . . . . 1.0 110.187 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -48.96 -50.72 34.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.231 -0.918 . . . . 1.0 110.137 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -34.95 41.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.123 -0.986 . . . . 1.0 109.547 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 0.7 OUTLIER -56.65 -33.65 66.56 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.253 -0.904 . . . . 1.0 109.705 179.613 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.433 ' O ' ' OG ' ' A' ' 8' ' ' SER . 32.3 t -70.1 -57.16 5.28 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.253 -0.904 . . . . 1.0 109.518 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . . . -44.98 -30.4 1.02 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.128 -0.982 . . . . 1.0 109.237 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.43 ' HE3' ' C ' ' A' ' 7' ' ' MET . 1.1 ttp -74.78 -52.38 11.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.483 -0.761 . . . . 1.0 109.955 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 5' ' ' SER . 57.7 p -51.15 -45.14 61.58 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.253 -0.904 . . . . 1.0 109.91 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -20.1 65.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -0.913 . . . . 1.0 109.621 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.26 -48.96 8.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.464 -0.773 . . . . 1.0 109.893 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -45.82 60.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.319 -0.863 . . . . 1.0 110.015 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.1 m -84.91 12.36 7.64 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.387 -0.821 . . . . 1.0 110.116 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.78 -36.33 3.5 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.688 -1.365 . . . . 1.0 109.688 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.606 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 29.8 p-90 -83.65 -42.34 16.78 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.22 -1.164 . . . . 1.0 110.524 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.606 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -103.79 -37.48 7.44 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.213 -0.929 . . . . 1.0 110.58 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.9 OUTLIER 46.63 25.32 0.41 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.113 -0.992 . . . . 1.0 108.844 -179.165 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.416 ' O ' HG21 ' A' ' 19' ' ' THR . 66.8 t80 -130.76 -43.46 1.1 Allowed 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.502 0.668 . . . . 1.0 110.039 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 21' ' ' ALA . 59.1 p -45.9 -30.26 1.68 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.382 -0.823 . . . . 1.0 110.18 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' THR . 5.6 t -43.77 -38.87 3.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.281 -0.887 . . . . 1.0 109.767 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.76 -33.2 81.87 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 109.239 -1.544 . . . . 1.0 109.239 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -69.11 -36.78 77.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.301 -1.117 . . . . 1.0 109.94 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 m -82.77 -25.99 32.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.352 -0.843 . . . . 1.0 109.949 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 tttm . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.187 179.875 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.272 0.558 . . . . 1.0 110.186 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -46.25 -50.51 15.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.374 -0.829 . . . . 1.0 110.025 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -58.62 -28.95 66.11 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.285 -0.885 . . . . 1.0 109.889 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -37.55 79.54 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.234 -0.917 . . . . 1.0 109.623 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -69.23 -47.53 64.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.293 -0.88 . . . . 1.0 109.67 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.97 -30.67 59.64 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.207 -0.933 . . . . 1.0 109.385 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.524 ' HE3' ' CA ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -76.37 -45.85 30.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.46 -0.775 . . . . 1.0 109.84 179.587 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -41.89 -53.11 3.89 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.508 -0.745 . . . . 1.0 109.891 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.457 ' N ' ' OG ' ' A' ' 8' ' ' SER . 0.2 OUTLIER -49.91 -30.35 10.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.36 -0.837 . . . . 1.0 109.571 179.509 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 7' ' ' MET . 1.0 OUTLIER -82.98 -58.62 2.79 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.499 -0.751 . . . . 1.0 109.909 179.599 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.591 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -50.18 -30.4 11.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.271 -0.893 . . . . 1.0 109.845 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 t -98.36 3.86 48.57 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.364 -0.835 . . . . 1.0 110.049 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.63 -33.59 2.43 Favored Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.868 -1.293 . . . . 1.0 109.868 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.605 ' CZ2' ' HB2' ' A' ' 15' ' ' SER . 12.6 p-90 -79.9 -30.84 40.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.132 -1.216 . . . . 1.0 110.422 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.605 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 41.0 t -110.32 -28.52 8.55 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.219 -0.926 . . . . 1.0 110.248 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 44.28 26.14 0.15 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.273 -0.892 . . . . 1.0 109.255 -179.44 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' THR . 51.8 t80 -132.75 -43.47 0.9 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.552 -0.718 . . . . 1.0 110.291 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' PHE . 44.0 p -40.74 -35.07 0.44 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.536 -0.727 . . . . 1.0 110.414 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.7 t -49.82 -32.95 15.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.161 -0.962 . . . . 1.0 110.081 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.61 -37.48 68.03 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 109.466 -1.453 . . . . 1.0 109.466 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.21 -44.29 20.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.385 -1.068 . . . . 1.0 110.262 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.2 m -66.39 -30.56 70.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.213 -0.93 . . . . 1.0 110.203 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.994 -1.003 . . . . 1.0 110.289 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.2 t0 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.234 0.54 . . . . 1.0 110.141 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -46.71 -50.72 17.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.278 -0.889 . . . . 1.0 110.121 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -28.41 68.41 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.199 -0.938 . . . . 1.0 109.483 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.17 -35.29 77.81 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.461 -0.774 . . . . 1.0 109.647 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -73.39 -50.16 23.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.933 . . . . 1.0 109.561 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.12 -25.5 13.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.376 -0.827 . . . . 1.0 109.48 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.444 ' CE ' ' HB2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -78.25 -47.28 18.28 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.419 -0.8 . . . . 1.0 109.696 179.584 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 12' ' ' SER . 1.1 m -46.98 -48.24 21.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.435 -0.791 . . . . 1.0 110.388 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -62.1 -26.38 68.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.251 -0.906 . . . . 1.0 110.499 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mt -87.55 -40.89 13.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 1.0 110.565 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.444 ' HB2' ' CE ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -87.04 -41.99 13.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.928 . . . . 1.0 110.574 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 8' ' ' SER . 9.0 t -81.98 11.83 4.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.292 -0.88 . . . . 1.0 110.427 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.05 -41.86 1.88 Allowed Glycine 0 N--CA 1.487 2.052 0 N-CA-C 109.886 -1.285 . . . . 1.0 109.886 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.604 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 16.3 p-90 -79.35 -30.29 42.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.165 -1.197 . . . . 1.0 110.471 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.604 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -106.27 -29.31 9.88 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.225 -0.922 . . . . 1.0 110.468 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t 51.66 21.53 1.36 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.197 -0.939 . . . . 1.0 109.365 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -133.53 -44.42 0.83 Allowed 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.604 -0.685 . . . . 1.0 110.159 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' THR . 41.6 p -45.99 -31.37 2.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.439 -0.788 . . . . 1.0 110.631 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' THR . 5.1 t -42.84 -29.04 0.29 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.132 -0.98 . . . . 1.0 110.173 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.44 -32.97 85.98 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 109.694 -1.362 . . . . 1.0 109.694 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -87.86 -35.01 18.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -1.131 . . . . 1.0 110.407 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.3 m -70.99 -30.53 66.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.182 -0.949 . . . . 1.0 110.205 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 mttm . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 118.061 -0.971 . . . . 1.0 110.189 179.88 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 2' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.242 0.544 . . . . 1.0 110.144 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' ASP . 13.4 t80 -42.5 -42.48 3.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.835 . . . . 1.0 110.015 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -51.82 -37.86 53.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.35 -0.843 . . . . 1.0 110.092 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -40.54 95.08 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.263 -0.898 . . . . 1.0 109.85 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -68.97 -48.51 62.97 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.224 -0.923 . . . . 1.0 109.736 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.23 -31.86 15.07 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.291 -0.881 . . . . 1.0 109.725 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.46 ' O ' ' HE3' ' A' ' 7' ' ' MET . 0.7 OUTLIER -78.57 -47.48 17.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.841 . . . . 1.0 110.14 179.798 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -44.9 37.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.169 -0.957 . . . . 1.0 109.918 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -34.1 56.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.252 -0.905 . . . . 1.0 110.116 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 3.5 mm? -79.67 -46.81 16.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.292 -0.88 . . . . 1.0 110.372 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.419 ' HB2' ' HE3' ' A' ' 7' ' ' MET . 0.5 OUTLIER -71.22 -47.53 56.75 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.206 -0.933 . . . . 1.0 110.53 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -74.58 0.43 14.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.34 -0.85 . . . . 1.0 110.175 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.76 -49.64 3.78 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 110.05 -1.22 . . . . 1.0 110.05 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.595 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 25.4 p-90 -76.65 -37.81 55.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.026 -1.279 . . . . 1.0 110.581 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.595 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 1.1 t -113.75 -27.52 7.77 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.102 -0.999 . . . . 1.0 110.76 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 46.5 26.9 0.55 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.094 -1.004 . . . . 1.0 108.581 -179.075 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.412 ' HB3' ' OG ' ' A' ' 15' ' ' SER . 20.8 t80 -133.82 -38.53 0.89 Allowed 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.427 0.632 . . . . 1.0 109.899 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.0 p -52.98 -34.02 54.14 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.536 -0.727 . . . . 1.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' LYS . 8.8 t -52.67 -39.31 61.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.213 -0.93 . . . . 1.0 110.286 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' N ' HG23 ' A' ' 19' ' ' THR . . . -58.88 -27.04 61.43 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.756 -1.337 . . . . 1.0 109.756 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.52 -42.79 6.43 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.252 -1.146 . . . . 1.0 110.112 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -77.58 -30.2 52.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.266 -0.896 . . . . 1.0 109.843 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 118.05 -0.976 . . . . 1.0 110.599 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 11.1 t70 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.192 0.52 . . . . 1.0 110.277 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -49.27 -43.64 43.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 1.0 110.126 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -31.51 66.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 1.0 109.77 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 1.1 t-20 -63.59 -39.44 94.38 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.374 -0.829 . . . . 1.0 109.722 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -51.79 39.76 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.329 -0.857 . . . . 1.0 109.75 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.62 -24.1 7.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.321 -0.862 . . . . 1.0 109.443 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -85.35 -49.02 8.48 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.463 -0.773 . . . . 1.0 109.882 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 12' ' ' SER . 26.1 p -63.19 -28.54 70.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.301 -0.875 . . . . 1.0 109.911 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.4 p -77.03 -26.08 53.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.302 -0.874 . . . . 1.0 110.103 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mt -95.73 -32.89 12.52 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.298 -0.876 . . . . 1.0 110.32 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.42 -43.19 8.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.241 -0.912 . . . . 1.0 110.186 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -89.24 16.09 7.9 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.352 -0.843 . . . . 1.0 109.987 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.42 -25.76 4.53 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 109.725 -1.35 . . . . 1.0 109.725 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.587 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 20.9 p-90 -90.94 -39.63 12.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.244 -1.151 . . . . 1.0 110.276 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.587 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -106.25 -29.95 9.49 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.203 -0.936 . . . . 1.0 110.58 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.02 24.86 0.68 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.133 -0.979 . . . . 1.0 109.05 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -128.45 -47.36 1.3 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.58 -0.7 . . . . 1.0 110.061 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' ALA . 35.1 p -47.94 -39.53 19.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 1.0 110.077 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 t -45.62 -36.22 4.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.291 -0.88 . . . . 1.0 110.321 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.95 -21.19 78.2 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.702 -1.359 . . . . 1.0 109.702 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -104.98 -35.36 7.69 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.198 -1.178 . . . . 1.0 110.336 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.3 m -81.34 -28.63 34.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 1.0 110.114 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.431 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.229 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 14.7 t70 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.214 0.53 . . . . 1.0 110.15 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 2' ' ' PHE . 6.9 t80 -45.92 -45.16 15.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.184 -0.948 . . . . 1.0 109.937 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.27 -28.77 65.25 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.177 -0.952 . . . . 1.0 109.535 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 1.0 OUTLIER -61.02 -40.6 94.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.356 -0.84 . . . . 1.0 109.624 179.437 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -68.69 -51.67 39.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 1.0 109.746 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.55 -25.79 7.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.212 -0.93 . . . . 1.0 109.566 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.41 ' HE1' ' HB3' ' A' ' 7' ' ' MET . 0.0 OUTLIER -78.78 -47.82 16.0 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.431 -0.793 . . . . 1.0 110.138 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 12' ' ' SER . 0.2 OUTLIER -49.7 -23.9 2.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.392 -0.818 . . . . 1.0 110.41 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 t -74.21 -27.26 60.71 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.232 -0.917 . . . . 1.0 110.461 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -91.54 -39.47 11.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.136 -0.978 . . . . 1.0 110.357 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -39.04 33.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.302 -0.873 . . . . 1.0 110.433 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' A' ' 8' ' ' SER . 4.9 t -87.84 14.67 8.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.901 . . . . 1.0 110.544 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.27 -38.56 1.22 Allowed Glycine 0 N--CA 1.486 2.015 0 N-CA-C 109.932 -1.267 . . . . 1.0 109.932 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.597 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 20.9 p-90 -76.39 -37.51 57.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.238 -1.154 . . . . 1.0 110.703 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.597 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 17.2 t -119.01 -39.61 2.92 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.26 -0.9 . . . . 1.0 110.847 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.5 24.97 0.56 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.059 -1.025 . . . . 1.0 108.618 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 20' ' ' GLY . 58.5 t80 -120.97 -46.11 2.34 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.705 -0.622 . . . . 1.0 109.978 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' PHE . 32.1 p -40.99 -33.66 0.34 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.61 -0.681 . . . . 1.0 110.147 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' LYS . 3.1 t -65.65 -30.71 71.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.353 -0.842 . . . . 1.0 110.193 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -68.15 -40.35 88.07 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 109.49 -1.444 . . . . 1.0 109.49 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.96 -45.67 48.77 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.274 -1.133 . . . . 1.0 110.137 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -80.91 -25.06 37.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.352 -0.843 . . . . 1.0 110.088 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.991 -1.004 . . . . 1.0 110.103 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.244 0.545 . . . . 1.0 110.213 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 2' ' ' PHE . 9.0 t80 -52.19 -44.9 64.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 1.0 110.218 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -28.49 69.19 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.268 -0.895 . . . . 1.0 109.851 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.72 -27.31 64.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 1.0 109.772 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -75.39 -49.53 18.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.391 -0.818 . . . . 1.0 110.059 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.34 -32.01 62.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.121 -0.987 . . . . 1.0 109.578 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.49 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -79.73 -41.89 25.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.472 -0.768 . . . . 1.0 109.717 179.564 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -40.43 -44.63 2.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.645 -0.659 . . . . 1.0 110.252 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.6 -36.83 69.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.185 -0.947 . . . . 1.0 109.555 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -79.7 -54.69 5.62 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.491 -0.755 . . . . 1.0 109.959 179.538 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.51 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 1.5 t80 -54.2 -32.05 54.68 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.309 -0.87 . . . . 1.0 110.513 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.1 m -93.3 1.28 57.05 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.231 -0.918 . . . . 1.0 110.669 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.55 -5.84 36.2 Favored Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.869 -1.157 . . . . 1.0 110.303 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.595 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 29.6 p-90 -108.92 -38.02 5.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.953 -1.322 . . . . 1.0 110.984 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.595 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 2.0 t -109.07 -31.9 7.44 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.161 -0.962 . . . . 1.0 110.869 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER 46.95 24.98 0.42 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.11 -0.994 . . . . 1.0 108.973 -179.156 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' THR . 29.9 t80 -126.07 -43.7 1.8 Allowed 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.597 -0.689 . . . . 1.0 109.967 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.6 p -41.89 -39.42 1.82 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.419 -0.801 . . . . 1.0 110.224 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.498 HG21 ' N ' ' A' ' 20' ' ' GLY . 5.9 t -51.05 -42.51 60.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.238 -0.914 . . . . 1.0 110.068 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.498 ' N ' HG21 ' A' ' 19' ' ' THR . . . -63.86 -38.84 96.7 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.508 -1.437 . . . . 1.0 109.508 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.96 -9.82 50.0 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.261 -1.141 . . . . 1.0 110.331 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' THR . 72.9 m -100.41 -27.53 13.4 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.249 -0.907 . . . . 1.0 110.291 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.989 -1.005 . . . . 1.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.089 0.471 . . . . 1.0 110.353 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -58.24 -42.41 86.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.198 -0.939 . . . . 1.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.409 HD21 ' N ' ' A' ' 3' ' ' LEU . 2.7 mm? -52.27 -27.41 14.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 1.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -42.22 98.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.321 -0.862 . . . . 1.0 110.162 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -49.68 71.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 1.0 109.961 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.98 -28.71 64.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.126 -0.984 . . . . 1.0 109.594 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -81.89 -39.17 24.25 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.358 -0.839 . . . . 1.0 109.664 179.443 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.412 ' O ' ' OG ' ' A' ' 12' ' ' SER . 0.5 OUTLIER -43.18 -48.5 6.46 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.458 -0.776 . . . . 1.0 109.947 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -21.51 64.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 1.0 109.631 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 7' ' ' MET . 2.2 mt -84.23 -40.93 17.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.317 -0.864 . . . . 1.0 110.126 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.494 ' HB2' ' CE ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -86.72 -17.79 32.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.218 -0.926 . . . . 1.0 110.306 -179.784 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 8' ' ' SER . 38.6 p -98.86 0.36 44.03 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.23 -0.919 . . . . 1.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.41 -36.23 4.69 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.927 -1.269 . . . . 1.0 109.927 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.594 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 23.4 p-90 -80.27 -43.47 21.28 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.044 -1.268 . . . . 1.0 110.865 -179.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.594 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -105.88 -38.22 6.42 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.124 -0.985 . . . . 1.0 110.586 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.4 OUTLIER 46.59 26.2 0.5 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.078 -1.014 . . . . 1.0 108.741 -179.073 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 20' ' ' GLY . 27.7 t80 -127.2 -48.76 1.45 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.695 -0.628 . . . . 1.0 110.774 -179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' PHE . 37.9 p -38.08 -33.03 0.08 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.457 -0.777 . . . . 1.0 110.731 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.509 HG22 ' N ' ' A' ' 20' ' ' GLY . 9.3 t -85.79 -26.83 25.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.222 -0.924 . . . . 1.0 110.642 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -49.68 -49.83 32.92 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.205 -1.158 . . . . 1.0 110.205 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.75 -19.95 26.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.118 -1.225 . . . . 1.0 110.817 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.475 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 72.5 m -82.53 -24.37 34.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.106 -0.996 . . . . 1.0 110.631 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.3 tttt . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 117.979 -1.01 . . . . 1.0 110.203 -179.877 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.159 0.505 . . . . 1.0 110.199 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -49.26 -52.03 29.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.26 -0.9 . . . . 1.0 109.979 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.07 -25.17 4.6 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 1.0 109.925 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 1.2 t-20 -69.42 -45.13 69.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.384 -0.822 . . . . 1.0 109.876 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 t -67.46 -39.66 85.33 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.186 -0.946 . . . . 1.0 109.746 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.61 -30.47 67.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 1.0 109.448 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.83 -46.25 10.12 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.514 -0.741 . . . . 1.0 109.773 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.525 ' O ' ' CB ' ' A' ' 12' ' ' SER . 3.3 t -49.51 -32.84 13.12 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.347 -0.846 . . . . 1.0 109.855 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 t -64.84 -27.71 69.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 1.0 109.649 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mt -79.68 -56.15 4.5 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.405 -0.809 . . . . 1.0 109.973 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.65 -42.63 64.17 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.882 . . . . 1.0 110.224 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.4 OUTLIER -82.41 8.83 10.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.368 -0.832 . . . . 1.0 110.027 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.81 -30.7 6.32 Favored Glycine 0 N--CA 1.486 2.021 0 N-CA-C 109.757 -1.337 . . . . 1.0 109.757 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.576 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 8.4 p-90 -106.86 -26.55 11.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.059 -1.26 . . . . 1.0 110.734 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.576 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -103.89 -24.27 13.29 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.055 -1.028 . . . . 1.0 110.564 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.79 24.41 0.57 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.083 -1.011 . . . . 1.0 109.003 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 15.7 t80 -133.18 -41.53 0.89 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.539 0.685 . . . . 1.0 110.183 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 17' ' ' PHE . 41.4 p -38.03 -41.59 0.58 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.794 -0.566 . . . . 1.0 111.012 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -52.52 -22.08 4.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.111 -0.993 . . . . 1.0 110.338 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.22 -44.29 86.75 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.611 -1.396 . . . . 1.0 109.611 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.52 80.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.344 -1.092 . . . . 1.0 110.296 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.89 -24.63 26.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.28 -0.888 . . . . 1.0 110.388 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.245 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 2' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.264 0.555 . . . . 1.0 110.234 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 1' ' ' ASP . 74.6 t80 -43.18 -44.39 5.11 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.187 -0.946 . . . . 1.0 110.17 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.435 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.2 mm? -55.47 -37.83 68.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.251 -0.905 . . . . 1.0 110.146 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.34 -41.84 89.02 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.261 -0.899 . . . . 1.0 109.858 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -41.76 60.89 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.302 -0.874 . . . . 1.0 109.764 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.75 -23.29 63.09 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.159 -0.963 . . . . 1.0 109.312 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.34 -48.79 6.7 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.43 -0.794 . . . . 1.0 109.86 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 12' ' ' SER . 29.5 t -59.35 -43.22 92.83 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.404 -0.918 . . . . 1.0 109.22 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.6 p -57.58 -23.56 51.43 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.323 -0.861 . . . . 1.0 109.475 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 10' ' ' LEU . 1.4 mt -89.31 -59.84 2.11 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.333 -0.854 . . . . 1.0 110.531 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -43.34 18.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.065 -1.022 . . . . 1.0 110.128 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' A' ' 8' ' ' SER . 55.8 m -86.52 14.12 7.33 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.376 -0.828 . . . . 1.0 109.482 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.74 -47.11 1.21 Allowed Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.712 -1.355 . . . . 1.0 109.712 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.595 ' CZ2' ' HB2' ' A' ' 15' ' ' SER . 8.7 p-90 -76.0 -30.5 58.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.075 -1.25 . . . . 1.0 110.082 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.595 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 36.9 t -112.64 -26.05 8.82 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.239 -0.913 . . . . 1.0 110.083 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER 43.45 27.1 0.13 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.35 -0.844 . . . . 1.0 109.196 -179.401 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 20' ' ' GLY . 48.4 t80 -133.86 -42.28 0.83 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.547 -0.72 . . . . 1.0 110.21 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.45 ' O ' ' OG ' ' A' ' 22' ' ' SER . 42.7 p -41.54 -35.25 0.69 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.457 -0.777 . . . . 1.0 110.162 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 t -75.36 -33.05 61.04 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.905 . . . . 1.0 109.891 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -62.84 -29.83 75.28 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.34 -1.504 . . . . 1.0 109.34 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.96 -34.8 29.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.373 -1.075 . . . . 1.0 110.15 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 18' ' ' THR . 0.8 OUTLIER -75.59 -26.95 58.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.284 -0.885 . . . . 1.0 110.362 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 117.951 -1.023 . . . . 1.0 110.151 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 4' ' ' ASN . 3.9 t0 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.266 0.555 . . . . 1.0 110.12 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -48.48 -43.57 34.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.221 -0.925 . . . . 1.0 109.981 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -23.15 67.25 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.155 -0.965 . . . . 1.0 109.336 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 1' ' ' ASP . 3.7 t-20 -68.17 -39.65 82.49 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.434 -0.792 . . . . 1.0 109.763 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -70.17 -49.8 46.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.283 -0.886 . . . . 1.0 109.854 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.93 -23.74 33.6 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.188 -0.945 . . . . 1.0 109.516 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.416 ' HE2' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -85.04 -45.37 12.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.41 -0.806 . . . . 1.0 110.036 179.822 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -49.28 -49.17 44.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.238 -0.914 . . . . 1.0 109.907 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 p -51.34 -27.09 8.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.281 -0.887 . . . . 1.0 109.375 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -90.57 -62.31 1.49 Allowed 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.461 -0.774 . . . . 1.0 110.051 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.459 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -50.47 -57.15 8.7 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.394 -0.816 . . . . 1.0 110.525 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 31.2 t -77.58 4.93 10.09 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.339 -0.85 . . . . 1.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.49 -28.2 4.68 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 110.086 -1.206 . . . . 1.0 110.086 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.62 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 7.3 p-90 -97.51 -30.56 12.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.176 -1.191 . . . . 1.0 110.804 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.62 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 5.0 t -132.47 -35.11 1.16 Allowed 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.121 -0.987 . . . . 1.0 111.256 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 46.72 26.56 0.56 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.023 -1.048 . . . . 1.0 108.575 -178.828 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.424 ' HB3' ' OG ' ' A' ' 15' ' ' SER . 33.0 t80 -127.1 -40.12 1.87 Allowed 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 121.408 0.623 . . . . 1.0 110.186 -179.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.1 p -48.42 -26.95 2.33 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.39 -0.818 . . . . 1.0 110.453 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 20' ' ' GLY . 14.4 t -66.28 -30.65 71.12 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.161 -0.962 . . . . 1.0 110.303 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.493 ' N ' HG22 ' A' ' 19' ' ' THR . . . -62.05 -36.45 92.92 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.602 -1.399 . . . . 1.0 109.602 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.93 -38.17 72.88 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.213 -1.169 . . . . 1.0 110.363 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.81 -31.71 69.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.242 -0.911 . . . . 1.0 110.138 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.952 -1.023 . . . . 1.0 110.245 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.6 t0 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.226 0.536 . . . . 1.0 110.376 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -52.54 -43.14 64.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.144 -0.973 . . . . 1.0 110.289 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -25.72 64.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.127 -0.983 . . . . 1.0 109.432 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -69.53 -35.62 75.64 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.523 -0.735 . . . . 1.0 109.291 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -51.83 45.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.311 -0.868 . . . . 1.0 109.787 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.18 -25.02 58.3 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.188 -0.945 . . . . 1.0 109.427 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -85.37 -42.45 14.55 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.475 -0.765 . . . . 1.0 110.151 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 12' ' ' SER . 33.9 t -57.99 -45.29 87.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.293 -0.879 . . . . 1.0 109.927 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 t -67.21 -24.87 65.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.266 -0.896 . . . . 1.0 109.985 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.493 ' N ' HD21 ' A' ' 10' ' ' LEU . 1.3 mm? -84.89 -42.39 15.08 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.297 -0.877 . . . . 1.0 110.665 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.64 -38.04 9.28 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 1.0 110.494 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -85.01 -1.58 56.98 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.318 -0.864 . . . . 1.0 110.184 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.29 -37.33 6.69 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.894 -1.283 . . . . 1.0 109.894 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.586 ' CH2' ' OG ' ' A' ' 15' ' ' SER . 6.1 p-90 -85.62 -28.91 24.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.128 -1.219 . . . . 1.0 110.662 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.586 ' OG ' ' CH2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -105.7 -28.33 10.77 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.218 -0.926 . . . . 1.0 110.217 179.744 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.7 24.45 0.55 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.311 -0.868 . . . . 1.0 109.25 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 10.4 t80 -134.96 -41.71 0.74 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.409 -0.807 . . . . 1.0 110.51 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' PHE . 75.2 p -40.68 -38.39 0.89 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.498 -0.751 . . . . 1.0 110.557 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' LYS . 1.8 t -56.44 -21.02 22.59 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.223 -0.923 . . . . 1.0 110.715 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.94 -51.15 47.53 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.584 -1.407 . . . . 1.0 109.584 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 -52.01 11.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.2 -1.176 . . . . 1.0 110.394 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.6 m -60.72 -25.22 66.27 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.234 -0.916 . . . . 1.0 110.204 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.162 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.286 0.565 . . . . 1.0 110.147 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -44.96 -42.06 7.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.283 -0.886 . . . . 1.0 110.117 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 7' ' ' MET . 4.0 mm? -59.18 -33.7 71.25 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.301 -0.874 . . . . 1.0 110.026 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -36.92 85.7 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.303 -0.873 . . . . 1.0 109.945 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -50.38 41.67 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.225 -0.922 . . . . 1.0 109.796 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.79 -26.59 62.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.185 -0.947 . . . . 1.0 109.263 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -88.29 -43.58 11.45 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.468 -0.77 . . . . 1.0 109.744 179.398 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 7' ' ' MET . 13.4 t -44.1 -38.76 3.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.266 -0.896 . . . . 1.0 109.668 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -29.57 70.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.272 -0.893 . . . . 1.0 109.514 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -81.38 -52.17 7.56 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.51 -0.744 . . . . 1.0 110.103 179.716 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -38.68 74.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.174 -0.954 . . . . 1.0 109.68 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -92.1 1.43 57.21 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.569 -0.707 . . . . 1.0 109.795 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.28 -38.63 4.22 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.66 -1.376 . . . . 1.0 109.66 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.614 ' CD2' ' N ' ' A' ' 15' ' ' SER . 11.1 p-90 -77.96 -39.96 40.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.037 -1.272 . . . . 1.0 110.324 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.614 ' N ' ' CD2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -87.08 -31.93 20.22 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.188 -0.945 . . . . 1.0 110.165 179.718 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.78 24.33 0.56 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.226 -0.921 . . . . 1.0 109.079 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.524 ' O ' ' N ' ' A' ' 19' ' ' THR . 77.6 t80 -140.1 -42.47 0.42 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.563 -0.71 . . . . 1.0 110.504 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' PHE . 25.4 p -34.95 -30.86 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.313 0.578 . . . . 1.0 110.72 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 17' ' ' PHE . 20.3 p -42.76 -53.59 4.49 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.287 -0.883 . . . . 1.0 110.124 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.25 -23.09 2.68 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.485 -1.446 . . . . 1.0 109.485 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -99.09 -49.77 4.39 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.22 -1.165 . . . . 1.0 110.295 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.0 m -71.15 -28.05 63.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 1.0 110.26 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.285 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 121.309 0.576 . . . . 1.0 110.638 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' ASP . 10.0 t80 -43.21 -46.95 6.29 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.32 -0.863 . . . . 1.0 110.232 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.528 HD21 ' N ' ' A' ' 3' ' ' LEU . 3.1 mm? -57.95 -29.54 65.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.261 -0.9 . . . . 1.0 110.15 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 1' ' ' ASP . 0.4 OUTLIER -69.81 -34.21 73.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.197 -0.939 . . . . 1.0 109.885 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -74.81 -46.19 38.4 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.304 -0.873 . . . . 1.0 109.626 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.33 -29.19 32.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.241 -0.912 . . . . 1.0 109.403 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.405 ' HE1' ' HB2' ' A' ' 11' ' ' TYR . 1.2 ttp -84.04 -48.52 9.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.474 -0.766 . . . . 1.0 109.725 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 12' ' ' SER . 1.1 p -52.2 -46.36 65.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.359 -0.838 . . . . 1.0 110.196 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -27.49 67.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.239 -0.913 . . . . 1.0 109.684 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mt -90.17 -51.5 5.42 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.426 -0.796 . . . . 1.0 110.037 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.405 ' HB2' ' HE1' ' A' ' 7' ' ' MET . 0.2 OUTLIER -73.99 -48.23 31.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.31 -0.869 . . . . 1.0 110.147 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' A' ' 8' ' ' SER . 1.7 m -80.83 6.91 11.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.356 -0.84 . . . . 1.0 110.005 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.13 -27.14 9.58 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 110.099 -1.2 . . . . 1.0 110.099 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.603 ' CZ2' ' HB2' ' A' ' 15' ' ' SER . 8.9 p-90 -102.39 -28.53 12.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.978 -1.307 . . . . 1.0 110.501 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.603 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 46.9 t -108.0 -25.89 10.94 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.19 -0.944 . . . . 1.0 110.17 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 45.1 25.46 0.17 Allowed 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.244 -0.91 . . . . 1.0 109.422 -179.483 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 18' ' ' THR . 3.5 t80 -132.64 -42.85 0.92 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.563 -0.71 . . . . 1.0 109.937 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 17' ' ' PHE . 42.3 p -42.09 -34.91 0.8 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.469 -0.769 . . . . 1.0 110.145 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 t -52.52 -26.99 14.65 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 1.0 110.033 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.49 -41.85 99.75 Favored Glycine 0 N--CA 1.486 2.017 0 N-CA-C 109.517 -1.433 . . . . 1.0 109.517 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 -51.24 37.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.333 -1.098 . . . . 1.0 110.194 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -56.43 -31.48 63.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.244 -0.91 . . . . 1.0 110.105 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.228 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.348 0.594 . . . . 1.0 110.4 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -127.22 -60.64 1.19 Allowed 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.212 -0.93 . . . . 1.0 109.779 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -57.54 -23.87 52.83 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.533 -0.867 . . . . 1.0 108.876 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.53 -44.6 82.02 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.636 -0.665 . . . . 1.0 109.445 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -50.77 63.64 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.281 -0.887 . . . . 1.0 109.611 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.96 -27.93 34.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.251 -0.906 . . . . 1.0 109.441 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.408 ' HE1' ' CG ' ' A' ' 11' ' ' TYR . 3.3 mmm -89.7 -45.39 9.35 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.462 -0.773 . . . . 1.0 109.808 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 12' ' ' SER . 30.4 t -49.3 -40.24 34.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.27 -0.894 . . . . 1.0 109.818 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -17.53 48.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.28 -0.887 . . . . 1.0 109.907 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mt -104.72 -52.27 2.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.289 -0.882 . . . . 1.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.468 ' O ' ' CD1' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -74.61 -44.53 50.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.236 -0.915 . . . . 1.0 110.071 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.471 ' HB2' ' O ' ' A' ' 8' ' ' SER . 1.2 m -72.7 -3.74 26.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.425 -0.797 . . . . 1.0 109.955 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.5 -43.32 7.42 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.539 -1.424 . . . . 1.0 109.539 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.597 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 21.0 p-90 -82.39 -29.19 30.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.136 -1.214 . . . . 1.0 110.59 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.597 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 1.2 t -117.55 -28.73 5.98 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.176 -0.952 . . . . 1.0 110.682 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.471 ' CA ' ' O ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 47.36 25.08 0.54 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.018 -1.051 . . . . 1.0 109.134 -179.371 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 20' ' ' GLY . 73.2 t80 -127.2 -44.39 1.59 Allowed 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.557 -0.714 . . . . 1.0 110.158 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 17' ' ' PHE . 41.1 p -42.4 -31.13 0.38 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 1.0 110.353 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 t -76.09 -29.02 57.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.378 -0.826 . . . . 1.0 110.364 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -56.2 -36.33 68.17 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.664 -1.374 . . . . 1.0 109.664 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.26 -52.4 10.07 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.332 -1.099 . . . . 1.0 110.421 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 m -60.94 -35.96 78.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.139 -0.975 . . . . 1.0 110.287 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . 0.482 ' HB3' ' HB2' ' A' ' 4' ' ' ASN . 11.9 m-20 . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 121.359 0.6 . . . . 1.0 110.443 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.454 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 8.4 t80 -83.92 -65.61 0.99 Allowed 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.435 -0.791 . . . . 1.0 109.935 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.454 ' N ' ' CD2' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -50.04 -22.73 1.71 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.276 -0.89 . . . . 1.0 109.629 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.482 ' HB2' ' HB3' ' A' ' 1' ' ' ASP . 3.6 m-20 -66.59 -39.81 88.59 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.484 -0.76 . . . . 1.0 109.642 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -69.46 -52.45 26.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.275 -0.89 . . . . 1.0 109.512 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.05 -32.94 16.75 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.253 -0.904 . . . . 1.0 109.385 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.4 ttp -80.01 -47.51 14.81 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.613 -0.679 . . . . 1.0 110.036 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -49.88 -41.01 44.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.338 -0.851 . . . . 1.0 109.863 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -56.5 -34.39 66.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.341 -0.849 . . . . 1.0 109.765 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.19 -52.69 4.93 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.405 -0.81 . . . . 1.0 110.236 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.72 -48.67 24.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 1.0 109.963 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -75.56 -3.4 34.03 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.399 -0.813 . . . . 1.0 109.778 179.602 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.71 -37.59 13.42 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.562 -1.415 . . . . 1.0 109.562 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.592 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 18.8 p-90 -91.73 -30.26 16.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.13 -1.218 . . . . 1.0 110.348 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.592 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -108.6 -27.18 10.0 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.296 -0.878 . . . . 1.0 110.327 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 12' ' ' SER . 0.3 OUTLIER 46.93 25.65 0.49 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.235 -0.916 . . . . 1.0 108.968 -179.269 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 20' ' ' GLY . 54.2 t80 -135.93 -47.55 0.66 Allowed 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.628 -0.67 . . . . 1.0 110.188 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.8 p -44.03 -41.33 5.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 1.0 110.389 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.431 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 14.3 t -57.8 -25.47 60.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.162 -0.961 . . . . 1.0 110.18 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -45.4 -54.98 7.07 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.618 -1.393 . . . . 1.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.9 -37.55 34.47 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.358 -1.084 . . . . 1.0 110.283 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.431 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 13.2 m -51.14 -31.6 20.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.162 -0.961 . . . . 1.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tttt . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 117.987 -1.006 . . . . 1.0 110.227 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.9 t0 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.218 0.532 . . . . 1.0 110.195 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -47.35 -47.33 25.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.294 -0.879 . . . . 1.0 110.263 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -54.64 -28.97 50.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.936 . . . . 1.0 109.753 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -62.92 -36.16 82.47 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.338 -0.851 . . . . 1.0 109.858 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -68.03 -54.4 18.68 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.286 -0.884 . . . . 1.0 109.861 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.03 -24.47 9.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.17 -0.956 . . . . 1.0 109.314 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.518 ' HE2' ' CD1' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -79.27 -45.69 19.24 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.434 -0.791 . . . . 1.0 110.118 179.757 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 12' ' ' SER . 23.5 m -57.36 -34.84 69.23 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 1.0 109.801 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -15.77 63.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.364 -0.835 . . . . 1.0 109.997 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt -102.42 -48.53 4.14 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.294 -0.879 . . . . 1.0 110.492 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.518 ' CD1' ' HE2' ' A' ' 7' ' ' MET . 2.3 m-85 -82.95 -39.45 21.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.196 -0.94 . . . . 1.0 110.654 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.1 OUTLIER -82.72 13.25 3.93 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.85 . . . . 1.0 110.334 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.33 -41.61 1.74 Allowed Glycine 0 N--CA 1.486 1.995 0 N-CA-C 109.916 -1.274 . . . . 1.0 109.916 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.643 ' CD2' ' N ' ' A' ' 15' ' ' SER . 17.6 p-90 -83.67 -41.91 17.23 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.201 -1.176 . . . . 1.0 110.676 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.643 ' N ' ' CD2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -81.96 -31.94 30.99 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.086 -1.009 . . . . 1.0 110.453 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t 52.14 20.92 1.43 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.083 -1.01 . . . . 1.0 109.382 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.454 ' O ' HG23 ' A' ' 19' ' ' THR . 22.0 t80 -135.01 -42.28 0.73 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.603 -0.685 . . . . 1.0 110.031 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.437 ' C ' ' O ' ' A' ' 17' ' ' PHE . 50.8 p -40.92 -27.32 0.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.507 -0.745 . . . . 1.0 110.339 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 17' ' ' PHE . 8.8 t -50.42 -35.35 28.13 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.138 -0.976 . . . . 1.0 109.803 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.38 -44.45 58.51 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.162 -1.575 . . . . 1.0 109.162 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.48 -35.35 24.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.257 -1.143 . . . . 1.0 110.197 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.8 m -74.93 -19.83 59.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.311 -0.868 . . . . 1.0 110.304 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' THR . 2.9 mmmt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.388 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 2' ' ' PHE . 27.8 t70 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.335 0.588 . . . . 1.0 110.233 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' ASP . 10.9 t80 -43.55 -47.99 7.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.158 -0.964 . . . . 1.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.5 -38.39 71.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.297 -0.877 . . . . 1.0 109.904 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.49 -42.09 96.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.266 -0.896 . . . . 1.0 109.8 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -43.23 95.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.335 -0.853 . . . . 1.0 109.581 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.93 -31.25 68.5 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.311 -0.868 . . . . 1.0 109.315 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.457 ' CA ' ' HE1' ' A' ' 7' ' ' MET . 0.0 OUTLIER -79.98 -41.35 26.08 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.459 -0.775 . . . . 1.0 109.774 179.62 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -48.21 -31.86 6.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.39 -0.819 . . . . 1.0 110.004 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -72.4 -14.59 61.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.361 -0.837 . . . . 1.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 10' ' ' LEU . 16.2 mt -98.37 -45.03 6.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.237 -0.914 . . . . 1.0 110.334 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -41.54 17.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 1.0 110.336 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.38 0.23 34.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.884 . . . . 1.0 110.244 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.99 -43.27 6.41 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 109.699 -1.361 . . . . 1.0 109.699 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.593 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 19.1 p-90 -87.59 -29.22 21.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -1.176 . . . . 1.0 110.545 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.593 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -99.38 -25.29 14.52 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.197 -0.939 . . . . 1.0 110.358 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t 48.94 23.62 0.73 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.185 -0.947 . . . . 1.0 109.243 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -133.82 -41.27 0.84 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.563 -0.71 . . . . 1.0 110.018 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.437 HG23 ' HB3' ' A' ' 15' ' ' SER . 74.8 p -43.94 -26.02 0.24 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.412 -0.805 . . . . 1.0 110.418 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.1 t -61.82 -22.26 65.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.92 . . . . 1.0 110.201 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.41 -42.66 97.55 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.554 -1.418 . . . . 1.0 109.554 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.14 23.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -1.132 . . . . 1.0 110.356 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 m -70.58 -34.47 72.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.18 -0.95 . . . . 1.0 110.186 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.244 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 4' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.165 0.507 . . . . 1.0 110.378 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' ASP . 35.6 t80 -43.34 -47.28 6.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.158 -0.964 . . . . 1.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -27.09 68.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 1.0 109.4 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 1' ' ' ASP . 11.2 t30 -70.95 -38.01 72.82 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.416 -0.803 . . . . 1.0 109.466 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -69.97 -46.85 64.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.355 -0.84 . . . . 1.0 109.806 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.29 -36.94 54.22 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.276 -0.89 . . . . 1.0 109.521 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.571 ' HE3' ' CG ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -72.57 -46.85 52.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.457 -0.777 . . . . 1.0 109.871 179.39 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -42.82 -48.58 5.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.362 -0.836 . . . . 1.0 110.016 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 p -52.33 -26.27 11.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 1.0 109.891 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 7' ' ' MET . 5.4 mt -91.21 -44.3 9.31 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.358 -0.839 . . . . 1.0 110.167 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CG ' ' HE3' ' A' ' 7' ' ' MET . 0.2 OUTLIER -72.79 -48.75 35.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.227 -0.921 . . . . 1.0 110.248 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.46 ' HB2' ' HB ' ' A' ' 19' ' ' THR . 0.1 OUTLIER -73.74 -5.74 42.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.331 -0.856 . . . . 1.0 110.0 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.26 -32.46 31.46 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.012 -1.235 . . . . 1.0 110.012 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.582 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 16.0 p-90 -104.37 -30.99 9.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.063 -1.257 . . . . 1.0 110.842 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.582 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -97.75 -29.08 13.58 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.071 -1.018 . . . . 1.0 110.45 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 53.28 19.81 1.68 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.107 -0.996 . . . . 1.0 109.34 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' THR . 17.5 t80 -134.91 -45.99 0.73 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.427 -0.796 . . . . 1.0 110.34 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.42 HG23 ' CB ' ' A' ' 15' ' ' SER . 61.4 p -41.19 -35.23 0.57 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.396 -0.815 . . . . 1.0 110.608 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.46 ' HB ' ' HB2' ' A' ' 12' ' ' SER . 5.1 t -48.58 -42.94 35.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.112 -0.992 . . . . 1.0 110.489 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' N ' HG23 ' A' ' 19' ' ' THR . . . -45.94 -45.66 14.2 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.463 -1.455 . . . . 1.0 109.463 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.8 -39.08 64.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.302 -1.116 . . . . 1.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -32.57 74.29 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.924 . . . . 1.0 110.345 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' OXT' ' CG ' ' A' ' 23' ' ' LYS . 2.5 tpmt? . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 118.026 -0.988 . . . . 1.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 35.5 t70 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.198 0.523 . . . . 1.0 110.29 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -48.87 -47.83 42.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.126 -0.984 . . . . 1.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -23.2 44.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 1.0 109.868 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 3.8 t-20 -68.15 -36.33 79.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.336 -0.853 . . . . 1.0 109.893 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -69.75 -49.04 56.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.248 -0.908 . . . . 1.0 109.873 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.73 -34.48 27.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.141 -0.975 . . . . 1.0 109.443 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.57 -46.41 11.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.385 -0.822 . . . . 1.0 109.883 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 12' ' ' SER . 2.1 m -53.0 -27.96 21.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.438 -0.789 . . . . 1.0 110.141 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 t -73.61 -19.13 60.95 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.288 -0.883 . . . . 1.0 110.404 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 mt -110.03 -38.68 5.25 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.293 -0.88 . . . . 1.0 110.387 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.569 ' O ' ' CD1' ' A' ' 14' ' ' TRP . 1.1 m-85 -81.26 -39.15 25.74 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 1.0 110.197 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.5 OUTLIER -77.14 -8.1 56.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.322 -0.861 . . . . 1.0 110.053 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.19 -36.4 17.99 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.541 -1.423 . . . . 1.0 109.541 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.59 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 32.6 p-90 -88.26 -31.33 19.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.182 -1.187 . . . . 1.0 110.731 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.59 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 42.4 t -110.06 -28.53 8.65 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.137 -0.977 . . . . 1.0 110.627 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 12' ' ' SER . 0.1 OUTLIER 47.36 23.98 0.41 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.091 -1.006 . . . . 1.0 109.318 -179.262 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -125.16 -39.74 2.2 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.514 -0.741 . . . . 1.0 109.989 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.4 p -50.14 -20.16 0.94 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.609 -0.682 . . . . 1.0 110.615 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -67.72 -20.07 65.22 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.205 -0.934 . . . . 1.0 110.516 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.21 -43.9 98.47 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.949 -1.26 . . . . 1.0 109.949 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.22 -35.58 63.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.181 -1.188 . . . . 1.0 110.532 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.5 m -69.45 -35.46 75.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.162 -0.961 . . . . 1.0 110.355 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 118.049 -0.977 . . . . 1.0 110.142 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.318 0.58 . . . . 1.0 110.187 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -48.96 -50.72 34.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.231 -0.918 . . . . 1.0 110.137 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -34.95 41.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.123 -0.986 . . . . 1.0 109.547 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 0.7 OUTLIER -56.65 -33.65 66.56 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.253 -0.904 . . . . 1.0 109.705 179.613 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.433 ' O ' ' OG ' ' A' ' 8' ' ' SER . 32.3 t -70.1 -57.16 5.28 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.253 -0.904 . . . . 1.0 109.518 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . . . -44.98 -30.4 1.02 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.128 -0.982 . . . . 1.0 109.237 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.43 ' HE3' ' C ' ' A' ' 7' ' ' MET . 1.1 ttp -74.78 -52.38 11.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.483 -0.761 . . . . 1.0 109.955 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 5' ' ' SER . 57.7 p -51.15 -45.14 61.58 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.253 -0.904 . . . . 1.0 109.91 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -20.1 65.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -0.913 . . . . 1.0 109.621 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 mt -86.26 -48.96 8.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.464 -0.773 . . . . 1.0 109.893 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -45.82 60.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.319 -0.863 . . . . 1.0 110.015 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.1 m -84.91 12.36 7.64 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.387 -0.821 . . . . 1.0 110.116 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.78 -36.33 3.5 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.688 -1.365 . . . . 1.0 109.688 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.606 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 29.8 p-90 -83.65 -42.34 16.78 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.22 -1.164 . . . . 1.0 110.524 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.606 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -103.79 -37.48 7.44 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.213 -0.929 . . . . 1.0 110.58 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.9 OUTLIER 46.63 25.32 0.41 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.113 -0.992 . . . . 1.0 108.844 -179.165 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.416 ' O ' HG21 ' A' ' 19' ' ' THR . 66.8 t80 -130.76 -43.46 1.1 Allowed 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.502 0.668 . . . . 1.0 110.039 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.495 ' O ' ' N ' ' A' ' 21' ' ' ALA . 59.1 p -45.9 -30.26 1.68 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.382 -0.823 . . . . 1.0 110.18 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 18' ' ' THR . 5.6 t -43.77 -38.87 3.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.281 -0.887 . . . . 1.0 109.767 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.76 -33.2 81.87 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 109.239 -1.544 . . . . 1.0 109.239 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -69.11 -36.78 77.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.301 -1.117 . . . . 1.0 109.94 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 m -82.77 -25.99 32.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.352 -0.843 . . . . 1.0 109.949 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 tttm . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.187 179.875 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.272 0.558 . . . . 1.0 110.186 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -46.25 -50.51 15.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.374 -0.829 . . . . 1.0 110.025 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -58.62 -28.95 66.11 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.285 -0.885 . . . . 1.0 109.889 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -37.55 79.54 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.234 -0.917 . . . . 1.0 109.623 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -69.23 -47.53 64.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.293 -0.88 . . . . 1.0 109.67 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.97 -30.67 59.64 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.207 -0.933 . . . . 1.0 109.385 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.524 ' HE3' ' CA ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -76.37 -45.85 30.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.46 -0.775 . . . . 1.0 109.84 179.587 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -41.89 -53.11 3.89 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.508 -0.745 . . . . 1.0 109.891 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.457 ' N ' ' OG ' ' A' ' 8' ' ' SER . 0.2 OUTLIER -49.91 -30.35 10.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.36 -0.837 . . . . 1.0 109.571 179.509 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 7' ' ' MET . 1.0 OUTLIER -82.98 -58.62 2.79 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.499 -0.751 . . . . 1.0 109.909 179.599 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.591 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -50.18 -30.4 11.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.271 -0.893 . . . . 1.0 109.845 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 t -98.36 3.86 48.57 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.364 -0.835 . . . . 1.0 110.049 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.63 -33.59 2.43 Favored Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.868 -1.293 . . . . 1.0 109.868 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.605 ' CZ2' ' HB2' ' A' ' 15' ' ' SER . 12.6 p-90 -79.9 -30.84 40.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.132 -1.216 . . . . 1.0 110.422 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.605 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 41.0 t -110.32 -28.52 8.55 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.219 -0.926 . . . . 1.0 110.248 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 44.28 26.14 0.15 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.273 -0.892 . . . . 1.0 109.255 -179.44 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' THR . 51.8 t80 -132.75 -43.47 0.9 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.552 -0.718 . . . . 1.0 110.291 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' PHE . 44.0 p -40.74 -35.07 0.44 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.536 -0.727 . . . . 1.0 110.414 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.7 t -49.82 -32.95 15.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.161 -0.962 . . . . 1.0 110.081 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.61 -37.48 68.03 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 109.466 -1.453 . . . . 1.0 109.466 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.21 -44.29 20.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.385 -1.068 . . . . 1.0 110.262 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.2 m -66.39 -30.56 70.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.213 -0.93 . . . . 1.0 110.203 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.994 -1.003 . . . . 1.0 110.289 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.2 t0 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.234 0.54 . . . . 1.0 110.141 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -46.71 -50.72 17.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.278 -0.889 . . . . 1.0 110.121 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -28.41 68.41 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.199 -0.938 . . . . 1.0 109.483 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.17 -35.29 77.81 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.461 -0.774 . . . . 1.0 109.647 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -73.39 -50.16 23.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.933 . . . . 1.0 109.561 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.12 -25.5 13.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.376 -0.827 . . . . 1.0 109.48 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.444 ' CE ' ' HB2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -78.25 -47.28 18.28 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.419 -0.8 . . . . 1.0 109.696 179.584 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.429 ' O ' ' HB3' ' A' ' 12' ' ' SER . 1.1 m -46.98 -48.24 21.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.435 -0.791 . . . . 1.0 110.388 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -62.1 -26.38 68.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.251 -0.906 . . . . 1.0 110.499 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.8 mt -87.55 -40.89 13.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 1.0 110.565 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.444 ' HB2' ' CE ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -87.04 -41.99 13.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.928 . . . . 1.0 110.574 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 8' ' ' SER . 9.0 t -81.98 11.83 4.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.292 -0.88 . . . . 1.0 110.427 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.05 -41.86 1.88 Allowed Glycine 0 N--CA 1.487 2.052 0 N-CA-C 109.886 -1.285 . . . . 1.0 109.886 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.604 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 16.3 p-90 -79.35 -30.29 42.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.165 -1.197 . . . . 1.0 110.471 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.604 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -106.27 -29.31 9.88 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.225 -0.922 . . . . 1.0 110.468 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t 51.66 21.53 1.36 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.197 -0.939 . . . . 1.0 109.365 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -133.53 -44.42 0.83 Allowed 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.604 -0.685 . . . . 1.0 110.159 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' THR . 41.6 p -45.99 -31.37 2.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.439 -0.788 . . . . 1.0 110.631 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' THR . 5.1 t -42.84 -29.04 0.29 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.132 -0.98 . . . . 1.0 110.173 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.44 -32.97 85.98 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 109.694 -1.362 . . . . 1.0 109.694 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -87.86 -35.01 18.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -1.131 . . . . 1.0 110.407 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.3 m -70.99 -30.53 66.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.182 -0.949 . . . . 1.0 110.205 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 mttm . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 118.061 -0.971 . . . . 1.0 110.189 179.88 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 2' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.242 0.544 . . . . 1.0 110.144 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' ASP . 13.4 t80 -42.5 -42.48 3.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.835 . . . . 1.0 110.015 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -51.82 -37.86 53.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.35 -0.843 . . . . 1.0 110.092 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.56 -40.54 95.08 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.263 -0.898 . . . . 1.0 109.85 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -68.97 -48.51 62.97 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.224 -0.923 . . . . 1.0 109.736 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.23 -31.86 15.07 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.291 -0.881 . . . . 1.0 109.725 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.46 ' O ' ' HE3' ' A' ' 7' ' ' MET . 0.7 OUTLIER -78.57 -47.48 17.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.841 . . . . 1.0 110.14 179.798 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -44.9 37.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.169 -0.957 . . . . 1.0 109.918 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -34.1 56.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.252 -0.905 . . . . 1.0 110.116 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 3.5 mm? -79.67 -46.81 16.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.292 -0.88 . . . . 1.0 110.372 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.419 ' HB2' ' HE3' ' A' ' 7' ' ' MET . 0.5 OUTLIER -71.22 -47.53 56.75 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.206 -0.933 . . . . 1.0 110.53 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -74.58 0.43 14.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.34 -0.85 . . . . 1.0 110.175 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.76 -49.64 3.78 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 110.05 -1.22 . . . . 1.0 110.05 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.595 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 25.4 p-90 -76.65 -37.81 55.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.026 -1.279 . . . . 1.0 110.581 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.595 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 1.1 t -113.75 -27.52 7.77 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.102 -0.999 . . . . 1.0 110.76 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 46.5 26.9 0.55 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.094 -1.004 . . . . 1.0 108.581 -179.075 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.412 ' HB3' ' OG ' ' A' ' 15' ' ' SER . 20.8 t80 -133.82 -38.53 0.89 Allowed 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.427 0.632 . . . . 1.0 109.899 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.0 p -52.98 -34.02 54.14 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.536 -0.727 . . . . 1.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 23' ' ' LYS . 8.8 t -52.67 -39.31 61.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.213 -0.93 . . . . 1.0 110.286 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' N ' HG23 ' A' ' 19' ' ' THR . . . -58.88 -27.04 61.43 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.756 -1.337 . . . . 1.0 109.756 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.52 -42.79 6.43 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.252 -1.146 . . . . 1.0 110.112 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -77.58 -30.2 52.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.266 -0.896 . . . . 1.0 109.843 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 118.05 -0.976 . . . . 1.0 110.599 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 11.1 t70 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.192 0.52 . . . . 1.0 110.277 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -49.27 -43.64 43.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 1.0 110.126 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -31.51 66.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 1.0 109.77 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 1.1 t-20 -63.59 -39.44 94.38 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.374 -0.829 . . . . 1.0 109.722 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -51.79 39.76 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.329 -0.857 . . . . 1.0 109.75 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.62 -24.1 7.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.321 -0.862 . . . . 1.0 109.443 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -85.35 -49.02 8.48 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.463 -0.773 . . . . 1.0 109.882 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 12' ' ' SER . 26.1 p -63.19 -28.54 70.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.301 -0.875 . . . . 1.0 109.911 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.4 p -77.03 -26.08 53.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.302 -0.874 . . . . 1.0 110.103 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mt -95.73 -32.89 12.52 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.298 -0.876 . . . . 1.0 110.32 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.42 -43.19 8.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.241 -0.912 . . . . 1.0 110.186 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.428 ' HB3' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -89.24 16.09 7.9 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.352 -0.843 . . . . 1.0 109.987 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.42 -25.76 4.53 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 109.725 -1.35 . . . . 1.0 109.725 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.587 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 20.9 p-90 -90.94 -39.63 12.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.244 -1.151 . . . . 1.0 110.276 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.587 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -106.25 -29.95 9.49 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.203 -0.936 . . . . 1.0 110.58 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.02 24.86 0.68 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.133 -0.979 . . . . 1.0 109.05 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -128.45 -47.36 1.3 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.58 -0.7 . . . . 1.0 110.061 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 21' ' ' ALA . 35.1 p -47.94 -39.53 19.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 1.0 110.077 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 t -45.62 -36.22 4.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.291 -0.88 . . . . 1.0 110.321 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.95 -21.19 78.2 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.702 -1.359 . . . . 1.0 109.702 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -104.98 -35.36 7.69 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.198 -1.178 . . . . 1.0 110.336 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.3 m -81.34 -28.63 34.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 1.0 110.114 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.431 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.229 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 14.7 t70 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.214 0.53 . . . . 1.0 110.15 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 2' ' ' PHE . 6.9 t80 -45.92 -45.16 15.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.184 -0.948 . . . . 1.0 109.937 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -58.27 -28.77 65.25 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.177 -0.952 . . . . 1.0 109.535 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 1.0 OUTLIER -61.02 -40.6 94.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.356 -0.84 . . . . 1.0 109.624 179.437 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -68.69 -51.67 39.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 1.0 109.746 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.55 -25.79 7.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.212 -0.93 . . . . 1.0 109.566 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.41 ' HE1' ' HB3' ' A' ' 7' ' ' MET . 0.0 OUTLIER -78.78 -47.82 16.0 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.431 -0.793 . . . . 1.0 110.138 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 12' ' ' SER . 0.2 OUTLIER -49.7 -23.9 2.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.392 -0.818 . . . . 1.0 110.41 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 t -74.21 -27.26 60.71 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.232 -0.917 . . . . 1.0 110.461 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -91.54 -39.47 11.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.136 -0.978 . . . . 1.0 110.357 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -39.04 33.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.302 -0.873 . . . . 1.0 110.433 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.467 ' HB3' ' O ' ' A' ' 8' ' ' SER . 4.9 t -87.84 14.67 8.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.901 . . . . 1.0 110.544 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.27 -38.56 1.22 Allowed Glycine 0 N--CA 1.486 2.015 0 N-CA-C 109.932 -1.267 . . . . 1.0 109.932 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.597 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 20.9 p-90 -76.39 -37.51 57.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.238 -1.154 . . . . 1.0 110.703 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.597 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 17.2 t -119.01 -39.61 2.92 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.26 -0.9 . . . . 1.0 110.847 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.5 24.97 0.56 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.059 -1.025 . . . . 1.0 108.618 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 20' ' ' GLY . 58.5 t80 -120.97 -46.11 2.34 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.705 -0.622 . . . . 1.0 109.978 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 17' ' ' PHE . 32.1 p -40.99 -33.66 0.34 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.61 -0.681 . . . . 1.0 110.147 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' LYS . 3.1 t -65.65 -30.71 71.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.353 -0.842 . . . . 1.0 110.193 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -68.15 -40.35 88.07 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 109.49 -1.444 . . . . 1.0 109.49 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.96 -45.67 48.77 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.274 -1.133 . . . . 1.0 110.137 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -80.91 -25.06 37.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.352 -0.843 . . . . 1.0 110.088 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.991 -1.004 . . . . 1.0 110.103 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.244 0.545 . . . . 1.0 110.213 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 2' ' ' PHE . 9.0 t80 -52.19 -44.9 64.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 1.0 110.218 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -28.49 69.19 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.268 -0.895 . . . . 1.0 109.851 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.72 -27.31 64.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 1.0 109.772 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -75.39 -49.53 18.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.391 -0.818 . . . . 1.0 110.059 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.34 -32.01 62.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.121 -0.987 . . . . 1.0 109.578 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.49 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -79.73 -41.89 25.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.472 -0.768 . . . . 1.0 109.717 179.564 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -40.43 -44.63 2.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.645 -0.659 . . . . 1.0 110.252 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.6 -36.83 69.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.185 -0.947 . . . . 1.0 109.555 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -79.7 -54.69 5.62 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.491 -0.755 . . . . 1.0 109.959 179.538 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.51 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 1.5 t80 -54.2 -32.05 54.68 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.309 -0.87 . . . . 1.0 110.513 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.1 m -93.3 1.28 57.05 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.231 -0.918 . . . . 1.0 110.669 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.55 -5.84 36.2 Favored Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.869 -1.157 . . . . 1.0 110.303 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.595 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 29.6 p-90 -108.92 -38.02 5.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.953 -1.322 . . . . 1.0 110.984 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.595 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 2.0 t -109.07 -31.9 7.44 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.161 -0.962 . . . . 1.0 110.869 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER 46.95 24.98 0.42 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.11 -0.994 . . . . 1.0 108.973 -179.156 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 18' ' ' THR . 29.9 t80 -126.07 -43.7 1.8 Allowed 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.597 -0.689 . . . . 1.0 109.967 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 22' ' ' SER . 42.6 p -41.89 -39.42 1.82 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.419 -0.801 . . . . 1.0 110.224 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.498 HG21 ' N ' ' A' ' 20' ' ' GLY . 5.9 t -51.05 -42.51 60.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.238 -0.914 . . . . 1.0 110.068 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.498 ' N ' HG21 ' A' ' 19' ' ' THR . . . -63.86 -38.84 96.7 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.508 -1.437 . . . . 1.0 109.508 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.96 -9.82 50.0 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.261 -1.141 . . . . 1.0 110.331 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' THR . 72.9 m -100.41 -27.53 13.4 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.249 -0.907 . . . . 1.0 110.291 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.989 -1.005 . . . . 1.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.089 0.471 . . . . 1.0 110.353 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -58.24 -42.41 86.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.198 -0.939 . . . . 1.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.409 HD21 ' N ' ' A' ' 3' ' ' LEU . 2.7 mm? -52.27 -27.41 14.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 1.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -42.22 98.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.321 -0.862 . . . . 1.0 110.162 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -49.68 71.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 1.0 109.961 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.98 -28.71 64.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.126 -0.984 . . . . 1.0 109.594 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -81.89 -39.17 24.25 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.358 -0.839 . . . . 1.0 109.664 179.443 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.412 ' O ' ' OG ' ' A' ' 12' ' ' SER . 0.5 OUTLIER -43.18 -48.5 6.46 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.458 -0.776 . . . . 1.0 109.947 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -21.51 64.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 1.0 109.631 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 7' ' ' MET . 2.2 mt -84.23 -40.93 17.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.317 -0.864 . . . . 1.0 110.126 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.494 ' HB2' ' CE ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -86.72 -17.79 32.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.218 -0.926 . . . . 1.0 110.306 -179.784 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 8' ' ' SER . 38.6 p -98.86 0.36 44.03 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.23 -0.919 . . . . 1.0 110.353 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.41 -36.23 4.69 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.927 -1.269 . . . . 1.0 109.927 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.594 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 23.4 p-90 -80.27 -43.47 21.28 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.044 -1.268 . . . . 1.0 110.865 -179.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.594 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -105.88 -38.22 6.42 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.124 -0.985 . . . . 1.0 110.586 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.4 OUTLIER 46.59 26.2 0.5 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.078 -1.014 . . . . 1.0 108.741 -179.073 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 20' ' ' GLY . 27.7 t80 -127.2 -48.76 1.45 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.695 -0.628 . . . . 1.0 110.774 -179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.438 ' C ' ' O ' ' A' ' 17' ' ' PHE . 37.9 p -38.08 -33.03 0.08 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.457 -0.777 . . . . 1.0 110.731 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.509 HG22 ' N ' ' A' ' 20' ' ' GLY . 9.3 t -85.79 -26.83 25.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.222 -0.924 . . . . 1.0 110.642 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -49.68 -49.83 32.92 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.205 -1.158 . . . . 1.0 110.205 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.75 -19.95 26.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.118 -1.225 . . . . 1.0 110.817 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.475 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 72.5 m -82.53 -24.37 34.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.106 -0.996 . . . . 1.0 110.631 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.3 tttt . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 117.979 -1.01 . . . . 1.0 110.203 -179.877 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.407 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.159 0.505 . . . . 1.0 110.199 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -49.26 -52.03 29.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.26 -0.9 . . . . 1.0 109.979 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.07 -25.17 4.6 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 1.0 109.925 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 1.2 t-20 -69.42 -45.13 69.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.384 -0.822 . . . . 1.0 109.876 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 t -67.46 -39.66 85.33 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.186 -0.946 . . . . 1.0 109.746 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.61 -30.47 67.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 1.0 109.448 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.83 -46.25 10.12 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.514 -0.741 . . . . 1.0 109.773 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.525 ' O ' ' CB ' ' A' ' 12' ' ' SER . 3.3 t -49.51 -32.84 13.12 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.347 -0.846 . . . . 1.0 109.855 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 t -64.84 -27.71 69.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 1.0 109.649 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.8 mt -79.68 -56.15 4.5 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.405 -0.809 . . . . 1.0 109.973 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -72.65 -42.63 64.17 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.882 . . . . 1.0 110.224 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.4 OUTLIER -82.41 8.83 10.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.368 -0.832 . . . . 1.0 110.027 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.81 -30.7 6.32 Favored Glycine 0 N--CA 1.486 2.021 0 N-CA-C 109.757 -1.337 . . . . 1.0 109.757 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.576 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 8.4 p-90 -106.86 -26.55 11.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.059 -1.26 . . . . 1.0 110.734 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.576 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -103.89 -24.27 13.29 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.055 -1.028 . . . . 1.0 110.564 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.79 24.41 0.57 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.083 -1.011 . . . . 1.0 109.003 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 15.7 t80 -133.18 -41.53 0.89 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.539 0.685 . . . . 1.0 110.183 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 17' ' ' PHE . 41.4 p -38.03 -41.59 0.58 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.794 -0.566 . . . . 1.0 111.012 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -52.52 -22.08 4.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.111 -0.993 . . . . 1.0 110.338 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.22 -44.29 86.75 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.611 -1.396 . . . . 1.0 109.611 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.52 80.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.344 -1.092 . . . . 1.0 110.296 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.89 -24.63 26.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.28 -0.888 . . . . 1.0 110.388 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.245 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 2' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.264 0.555 . . . . 1.0 110.234 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 1' ' ' ASP . 74.6 t80 -43.18 -44.39 5.11 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.187 -0.946 . . . . 1.0 110.17 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.435 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.2 mm? -55.47 -37.83 68.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.251 -0.905 . . . . 1.0 110.146 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.34 -41.84 89.02 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.261 -0.899 . . . . 1.0 109.858 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -41.76 60.89 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.302 -0.874 . . . . 1.0 109.764 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.75 -23.29 63.09 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.159 -0.963 . . . . 1.0 109.312 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.34 -48.79 6.7 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.43 -0.794 . . . . 1.0 109.86 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 12' ' ' SER . 29.5 t -59.35 -43.22 92.83 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.404 -0.918 . . . . 1.0 109.22 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.6 p -57.58 -23.56 51.43 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.323 -0.861 . . . . 1.0 109.475 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 10' ' ' LEU . 1.4 mt -89.31 -59.84 2.11 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.333 -0.854 . . . . 1.0 110.531 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -43.34 18.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.065 -1.022 . . . . 1.0 110.128 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' A' ' 8' ' ' SER . 55.8 m -86.52 14.12 7.33 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.376 -0.828 . . . . 1.0 109.482 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.74 -47.11 1.21 Allowed Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.712 -1.355 . . . . 1.0 109.712 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.595 ' CZ2' ' HB2' ' A' ' 15' ' ' SER . 8.7 p-90 -76.0 -30.5 58.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.075 -1.25 . . . . 1.0 110.082 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.595 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 36.9 t -112.64 -26.05 8.82 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.239 -0.913 . . . . 1.0 110.083 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER 43.45 27.1 0.13 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.35 -0.844 . . . . 1.0 109.196 -179.401 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 20' ' ' GLY . 48.4 t80 -133.86 -42.28 0.83 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.547 -0.72 . . . . 1.0 110.21 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.45 ' O ' ' OG ' ' A' ' 22' ' ' SER . 42.7 p -41.54 -35.25 0.69 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.457 -0.777 . . . . 1.0 110.162 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 t -75.36 -33.05 61.04 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.905 . . . . 1.0 109.891 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -62.84 -29.83 75.28 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.34 -1.504 . . . . 1.0 109.34 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.96 -34.8 29.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.373 -1.075 . . . . 1.0 110.15 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 18' ' ' THR . 0.8 OUTLIER -75.59 -26.95 58.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.284 -0.885 . . . . 1.0 110.362 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 117.951 -1.023 . . . . 1.0 110.151 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 4' ' ' ASN . 3.9 t0 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.266 0.555 . . . . 1.0 110.12 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -48.48 -43.57 34.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.221 -0.925 . . . . 1.0 109.981 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -23.15 67.25 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.155 -0.965 . . . . 1.0 109.336 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 1' ' ' ASP . 3.7 t-20 -68.17 -39.65 82.49 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.434 -0.792 . . . . 1.0 109.763 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -70.17 -49.8 46.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.283 -0.886 . . . . 1.0 109.854 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.93 -23.74 33.6 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.188 -0.945 . . . . 1.0 109.516 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.416 ' HE2' ' CD2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -85.04 -45.37 12.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.41 -0.806 . . . . 1.0 110.036 179.822 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -49.28 -49.17 44.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.238 -0.914 . . . . 1.0 109.907 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 p -51.34 -27.09 8.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.281 -0.887 . . . . 1.0 109.375 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.0 mt -90.57 -62.31 1.49 Allowed 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.461 -0.774 . . . . 1.0 110.051 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.459 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -50.47 -57.15 8.7 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.394 -0.816 . . . . 1.0 110.525 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 31.2 t -77.58 4.93 10.09 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.339 -0.85 . . . . 1.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.49 -28.2 4.68 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 110.086 -1.206 . . . . 1.0 110.086 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.62 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 7.3 p-90 -97.51 -30.56 12.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.176 -1.191 . . . . 1.0 110.804 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.62 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 5.0 t -132.47 -35.11 1.16 Allowed 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.121 -0.987 . . . . 1.0 111.256 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.474 ' HA ' ' HA ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 46.72 26.56 0.56 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.023 -1.048 . . . . 1.0 108.575 -178.828 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.424 ' HB3' ' OG ' ' A' ' 15' ' ' SER . 33.0 t80 -127.1 -40.12 1.87 Allowed 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 121.408 0.623 . . . . 1.0 110.186 -179.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.1 p -48.42 -26.95 2.33 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.39 -0.818 . . . . 1.0 110.453 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.493 HG22 ' N ' ' A' ' 20' ' ' GLY . 14.4 t -66.28 -30.65 71.12 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.161 -0.962 . . . . 1.0 110.303 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.493 ' N ' HG22 ' A' ' 19' ' ' THR . . . -62.05 -36.45 92.92 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.602 -1.399 . . . . 1.0 109.602 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.93 -38.17 72.88 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.213 -1.169 . . . . 1.0 110.363 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.81 -31.71 69.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.242 -0.911 . . . . 1.0 110.138 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.952 -1.023 . . . . 1.0 110.245 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.6 t0 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.226 0.536 . . . . 1.0 110.376 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -52.54 -43.14 64.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.144 -0.973 . . . . 1.0 110.289 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -25.72 64.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.127 -0.983 . . . . 1.0 109.432 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -69.53 -35.62 75.64 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.523 -0.735 . . . . 1.0 109.291 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -51.83 45.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.311 -0.868 . . . . 1.0 109.787 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.18 -25.02 58.3 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.188 -0.945 . . . . 1.0 109.427 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -85.37 -42.45 14.55 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.475 -0.765 . . . . 1.0 110.151 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 12' ' ' SER . 33.9 t -57.99 -45.29 87.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.293 -0.879 . . . . 1.0 109.927 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 t -67.21 -24.87 65.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.266 -0.896 . . . . 1.0 109.985 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.493 ' N ' HD21 ' A' ' 10' ' ' LEU . 1.3 mm? -84.89 -42.39 15.08 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.297 -0.877 . . . . 1.0 110.665 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.64 -38.04 9.28 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 1.0 110.494 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -85.01 -1.58 56.98 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.318 -0.864 . . . . 1.0 110.184 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.29 -37.33 6.69 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.894 -1.283 . . . . 1.0 109.894 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.586 ' CH2' ' OG ' ' A' ' 15' ' ' SER . 6.1 p-90 -85.62 -28.91 24.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.128 -1.219 . . . . 1.0 110.662 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.586 ' OG ' ' CH2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -105.7 -28.33 10.77 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.218 -0.926 . . . . 1.0 110.217 179.744 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.7 24.45 0.55 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.311 -0.868 . . . . 1.0 109.25 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 10.4 t80 -134.96 -41.71 0.74 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.409 -0.807 . . . . 1.0 110.51 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' PHE . 75.2 p -40.68 -38.39 0.89 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.498 -0.751 . . . . 1.0 110.557 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' LYS . 1.8 t -56.44 -21.02 22.59 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.223 -0.923 . . . . 1.0 110.715 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.94 -51.15 47.53 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.584 -1.407 . . . . 1.0 109.584 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 -52.01 11.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.2 -1.176 . . . . 1.0 110.394 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.6 m -60.72 -25.22 66.27 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.234 -0.916 . . . . 1.0 110.204 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.162 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.286 0.565 . . . . 1.0 110.147 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -44.96 -42.06 7.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.283 -0.886 . . . . 1.0 110.117 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.446 ' O ' ' HB2' ' A' ' 7' ' ' MET . 4.0 mm? -59.18 -33.7 71.25 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.301 -0.874 . . . . 1.0 110.026 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -36.92 85.7 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.303 -0.873 . . . . 1.0 109.945 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -50.38 41.67 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.225 -0.922 . . . . 1.0 109.796 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.79 -26.59 62.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.185 -0.947 . . . . 1.0 109.263 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -88.29 -43.58 11.45 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.468 -0.77 . . . . 1.0 109.744 179.398 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 7' ' ' MET . 13.4 t -44.1 -38.76 3.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.266 -0.896 . . . . 1.0 109.668 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -29.57 70.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.272 -0.893 . . . . 1.0 109.514 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -81.38 -52.17 7.56 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.51 -0.744 . . . . 1.0 110.103 179.716 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -57.27 -38.68 74.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.174 -0.954 . . . . 1.0 109.68 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -92.1 1.43 57.21 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.569 -0.707 . . . . 1.0 109.795 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.28 -38.63 4.22 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.66 -1.376 . . . . 1.0 109.66 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.614 ' CD2' ' N ' ' A' ' 15' ' ' SER . 11.1 p-90 -77.96 -39.96 40.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.037 -1.272 . . . . 1.0 110.324 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.614 ' N ' ' CD2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -87.08 -31.93 20.22 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.188 -0.945 . . . . 1.0 110.165 179.718 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.78 24.33 0.56 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.226 -0.921 . . . . 1.0 109.079 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.524 ' O ' ' N ' ' A' ' 19' ' ' THR . 77.6 t80 -140.1 -42.47 0.42 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.563 -0.71 . . . . 1.0 110.504 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' PHE . 25.4 p -34.95 -30.86 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.313 0.578 . . . . 1.0 110.72 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 17' ' ' PHE . 20.3 p -42.76 -53.59 4.49 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.287 -0.883 . . . . 1.0 110.124 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.25 -23.09 2.68 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.485 -1.446 . . . . 1.0 109.485 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -99.09 -49.77 4.39 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.22 -1.165 . . . . 1.0 110.295 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.0 m -71.15 -28.05 63.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 1.0 110.26 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.285 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 121.309 0.576 . . . . 1.0 110.638 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' ASP . 10.0 t80 -43.21 -46.95 6.29 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.32 -0.863 . . . . 1.0 110.232 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.528 HD21 ' N ' ' A' ' 3' ' ' LEU . 3.1 mm? -57.95 -29.54 65.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.261 -0.9 . . . . 1.0 110.15 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 1' ' ' ASP . 0.4 OUTLIER -69.81 -34.21 73.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.197 -0.939 . . . . 1.0 109.885 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -74.81 -46.19 38.4 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.304 -0.873 . . . . 1.0 109.626 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.33 -29.19 32.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.241 -0.912 . . . . 1.0 109.403 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.405 ' HE1' ' HB2' ' A' ' 11' ' ' TYR . 1.2 ttp -84.04 -48.52 9.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.474 -0.766 . . . . 1.0 109.725 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 12' ' ' SER . 1.1 p -52.2 -46.36 65.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.359 -0.838 . . . . 1.0 110.196 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -27.49 67.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.239 -0.913 . . . . 1.0 109.684 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.9 mt -90.17 -51.5 5.42 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.426 -0.796 . . . . 1.0 110.037 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.405 ' HB2' ' HE1' ' A' ' 7' ' ' MET . 0.2 OUTLIER -73.99 -48.23 31.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.31 -0.869 . . . . 1.0 110.147 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' A' ' 8' ' ' SER . 1.7 m -80.83 6.91 11.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.356 -0.84 . . . . 1.0 110.005 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.13 -27.14 9.58 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 110.099 -1.2 . . . . 1.0 110.099 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.603 ' CZ2' ' HB2' ' A' ' 15' ' ' SER . 8.9 p-90 -102.39 -28.53 12.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.978 -1.307 . . . . 1.0 110.501 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.603 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 46.9 t -108.0 -25.89 10.94 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.19 -0.944 . . . . 1.0 110.17 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 45.1 25.46 0.17 Allowed 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.244 -0.91 . . . . 1.0 109.422 -179.483 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 18' ' ' THR . 3.5 t80 -132.64 -42.85 0.92 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.563 -0.71 . . . . 1.0 109.937 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 17' ' ' PHE . 42.3 p -42.09 -34.91 0.8 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.469 -0.769 . . . . 1.0 110.145 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 t -52.52 -26.99 14.65 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 1.0 110.033 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.49 -41.85 99.75 Favored Glycine 0 N--CA 1.486 2.017 0 N-CA-C 109.517 -1.433 . . . . 1.0 109.517 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 -51.24 37.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.333 -1.098 . . . . 1.0 110.194 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -56.43 -31.48 63.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.244 -0.91 . . . . 1.0 110.105 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.228 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.348 0.594 . . . . 1.0 110.4 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -127.22 -60.64 1.19 Allowed 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.212 -0.93 . . . . 1.0 109.779 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -57.54 -23.87 52.83 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.533 -0.867 . . . . 1.0 108.876 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.53 -44.6 82.02 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.636 -0.665 . . . . 1.0 109.445 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -50.77 63.64 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.281 -0.887 . . . . 1.0 109.611 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.96 -27.93 34.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.251 -0.906 . . . . 1.0 109.441 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.408 ' HE1' ' CG ' ' A' ' 11' ' ' TYR . 3.3 mmm -89.7 -45.39 9.35 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.462 -0.773 . . . . 1.0 109.808 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.471 ' O ' ' HB2' ' A' ' 12' ' ' SER . 30.4 t -49.3 -40.24 34.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.27 -0.894 . . . . 1.0 109.818 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -17.53 48.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.28 -0.887 . . . . 1.0 109.907 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mt -104.72 -52.27 2.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.289 -0.882 . . . . 1.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.468 ' O ' ' CD1' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -74.61 -44.53 50.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.236 -0.915 . . . . 1.0 110.071 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.471 ' HB2' ' O ' ' A' ' 8' ' ' SER . 1.2 m -72.7 -3.74 26.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.425 -0.797 . . . . 1.0 109.955 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.5 -43.32 7.42 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.539 -1.424 . . . . 1.0 109.539 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.597 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 21.0 p-90 -82.39 -29.19 30.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.136 -1.214 . . . . 1.0 110.59 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.597 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 1.2 t -117.55 -28.73 5.98 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.176 -0.952 . . . . 1.0 110.682 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.471 ' CA ' ' O ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 47.36 25.08 0.54 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.018 -1.051 . . . . 1.0 109.134 -179.371 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 20' ' ' GLY . 73.2 t80 -127.2 -44.39 1.59 Allowed 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.557 -0.714 . . . . 1.0 110.158 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 17' ' ' PHE . 41.1 p -42.4 -31.13 0.38 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 1.0 110.353 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 t -76.09 -29.02 57.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.378 -0.826 . . . . 1.0 110.364 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -56.2 -36.33 68.17 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.664 -1.374 . . . . 1.0 109.664 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.26 -52.4 10.07 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.332 -1.099 . . . . 1.0 110.421 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 m -60.94 -35.96 78.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.139 -0.975 . . . . 1.0 110.287 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.482 ' HB3' ' HB2' ' A' ' 4' ' ' ASN . 11.9 m-20 . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 121.359 0.6 . . . . 1.0 110.443 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.454 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 8.4 t80 -83.92 -65.61 0.99 Allowed 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.435 -0.791 . . . . 1.0 109.935 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.454 ' N ' ' CD2' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -50.04 -22.73 1.71 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.276 -0.89 . . . . 1.0 109.629 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.482 ' HB2' ' HB3' ' A' ' 1' ' ' ASP . 3.6 m-20 -66.59 -39.81 88.59 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.484 -0.76 . . . . 1.0 109.642 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -69.46 -52.45 26.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.275 -0.89 . . . . 1.0 109.512 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.05 -32.94 16.75 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.253 -0.904 . . . . 1.0 109.385 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.4 ttp -80.01 -47.51 14.81 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.613 -0.679 . . . . 1.0 110.036 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -49.88 -41.01 44.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.338 -0.851 . . . . 1.0 109.863 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -56.5 -34.39 66.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.341 -0.849 . . . . 1.0 109.765 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.19 -52.69 4.93 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.405 -0.81 . . . . 1.0 110.236 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.72 -48.67 24.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 1.0 109.963 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -75.56 -3.4 34.03 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.399 -0.813 . . . . 1.0 109.778 179.602 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.71 -37.59 13.42 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.562 -1.415 . . . . 1.0 109.562 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.592 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 18.8 p-90 -91.73 -30.26 16.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.13 -1.218 . . . . 1.0 110.348 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.592 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -108.6 -27.18 10.0 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.296 -0.878 . . . . 1.0 110.327 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.477 ' HA ' ' O ' ' A' ' 12' ' ' SER . 0.3 OUTLIER 46.93 25.65 0.49 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.235 -0.916 . . . . 1.0 108.968 -179.269 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 20' ' ' GLY . 54.2 t80 -135.93 -47.55 0.66 Allowed 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.628 -0.67 . . . . 1.0 110.188 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 72.8 p -44.03 -41.33 5.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 1.0 110.389 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.431 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 14.3 t -57.8 -25.47 60.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.162 -0.961 . . . . 1.0 110.18 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -45.4 -54.98 7.07 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.618 -1.393 . . . . 1.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.9 -37.55 34.47 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.358 -1.084 . . . . 1.0 110.283 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.431 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 13.2 m -51.14 -31.6 20.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.162 -0.961 . . . . 1.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tttt . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 117.987 -1.006 . . . . 1.0 110.227 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.9 t0 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.218 0.532 . . . . 1.0 110.195 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -47.35 -47.33 25.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.294 -0.879 . . . . 1.0 110.263 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -54.64 -28.97 50.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.936 . . . . 1.0 109.753 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -62.92 -36.16 82.47 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.338 -0.851 . . . . 1.0 109.858 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -68.03 -54.4 18.68 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.286 -0.884 . . . . 1.0 109.861 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.03 -24.47 9.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.17 -0.956 . . . . 1.0 109.314 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.407 ' HE1' ' CG ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -79.27 -45.69 19.24 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.434 -0.791 . . . . 1.0 110.118 179.757 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 12' ' ' SER . 23.5 m -57.36 -34.84 69.23 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 1.0 109.801 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -15.77 63.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.364 -0.835 . . . . 1.0 109.997 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 10' ' ' LEU . 3.0 mt -102.42 -48.53 4.14 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.294 -0.879 . . . . 1.0 110.492 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.407 ' CG ' ' HE1' ' A' ' 7' ' ' MET . 2.3 m-85 -82.95 -39.45 21.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.196 -0.94 . . . . 1.0 110.654 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.1 OUTLIER -82.72 13.25 3.93 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.85 . . . . 1.0 110.334 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.33 -41.61 1.74 Allowed Glycine 0 N--CA 1.486 1.995 0 N-CA-C 109.916 -1.274 . . . . 1.0 109.916 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.643 ' CD2' ' N ' ' A' ' 15' ' ' SER . 17.6 p-90 -83.67 -41.91 17.23 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.201 -1.176 . . . . 1.0 110.676 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.643 ' N ' ' CD2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -81.96 -31.94 30.99 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.086 -1.009 . . . . 1.0 110.453 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t 52.14 20.92 1.43 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.083 -1.01 . . . . 1.0 109.382 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' THR . 22.0 t80 -135.01 -42.28 0.73 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.603 -0.685 . . . . 1.0 110.031 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.629 HG23 ' HB3' ' A' ' 15' ' ' SER . 50.8 p -40.92 -27.32 0.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.507 -0.745 . . . . 1.0 110.339 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 20' ' ' GLY . 8.8 t -50.42 -35.35 28.13 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.138 -0.976 . . . . 1.0 109.803 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.458 ' N ' HG23 ' A' ' 19' ' ' THR . . . -52.38 -44.45 58.51 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.162 -1.575 . . . . 1.0 109.162 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.48 -35.35 24.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.257 -1.143 . . . . 1.0 110.197 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 70.8 m -74.93 -19.83 59.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.311 -0.868 . . . . 1.0 110.304 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' THR . 2.9 mmmt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.388 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 2' ' ' PHE . 27.8 t70 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.335 0.588 . . . . 1.0 110.233 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' ASP . 10.9 t80 -43.55 -47.99 7.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.158 -0.964 . . . . 1.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.5 -38.39 71.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.297 -0.877 . . . . 1.0 109.904 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.49 -42.09 96.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.266 -0.896 . . . . 1.0 109.8 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -43.23 95.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.335 -0.853 . . . . 1.0 109.581 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.93 -31.25 68.5 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.311 -0.868 . . . . 1.0 109.315 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -41.35 26.08 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.459 -0.775 . . . . 1.0 109.774 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -48.21 -31.86 6.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.39 -0.819 . . . . 1.0 110.004 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -72.4 -14.59 61.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.361 -0.837 . . . . 1.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 10' ' ' LEU . 16.2 mt -98.37 -45.03 6.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.237 -0.914 . . . . 1.0 110.334 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -41.54 17.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 1.0 110.336 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.38 0.23 34.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.884 . . . . 1.0 110.244 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.99 -43.27 6.41 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 109.699 -1.361 . . . . 1.0 109.699 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.597 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 19.1 p-90 -87.59 -29.22 21.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -1.176 . . . . 1.0 110.545 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.597 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -99.38 -25.29 14.52 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.197 -0.939 . . . . 1.0 110.358 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t 48.94 23.62 0.73 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.185 -0.947 . . . . 1.0 109.243 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -133.82 -41.27 0.84 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.563 -0.71 . . . . 1.0 110.018 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.409 HG23 ' HB3' ' A' ' 15' ' ' SER . 74.8 p -43.94 -26.02 0.24 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.412 -0.805 . . . . 1.0 110.418 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.1 t -61.82 -22.26 65.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.92 . . . . 1.0 110.201 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.41 -42.66 97.55 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.554 -1.418 . . . . 1.0 109.554 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.14 23.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -1.132 . . . . 1.0 110.356 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 m -70.58 -34.47 72.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.18 -0.95 . . . . 1.0 110.186 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.244 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 4' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.165 0.507 . . . . 1.0 110.378 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' ASP . 35.6 t80 -43.34 -47.28 6.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.158 -0.964 . . . . 1.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -27.09 68.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 1.0 109.4 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 1' ' ' ASP . 11.2 t30 -70.95 -38.01 72.82 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.416 -0.803 . . . . 1.0 109.466 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -69.97 -46.85 64.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.355 -0.84 . . . . 1.0 109.806 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.29 -36.94 54.22 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.276 -0.89 . . . . 1.0 109.521 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.476 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.57 -46.85 52.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.457 -0.777 . . . . 1.0 109.871 179.39 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -42.82 -48.58 5.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.362 -0.836 . . . . 1.0 110.016 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 p -52.33 -26.27 11.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 1.0 109.891 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 7' ' ' MET . 5.4 mt -91.21 -44.3 9.31 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.358 -0.839 . . . . 1.0 110.167 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.413 ' CG ' ' HE1' ' A' ' 7' ' ' MET . 0.2 OUTLIER -72.79 -48.75 35.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.227 -0.921 . . . . 1.0 110.248 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.489 ' HB2' ' HB ' ' A' ' 19' ' ' THR . 0.1 OUTLIER -73.74 -5.74 42.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.331 -0.856 . . . . 1.0 110.0 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.26 -32.46 31.46 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.012 -1.235 . . . . 1.0 110.012 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.584 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 16.0 p-90 -104.37 -30.99 9.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.063 -1.257 . . . . 1.0 110.842 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.584 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -97.75 -29.08 13.58 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.071 -1.018 . . . . 1.0 110.45 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 53.28 19.81 1.68 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.107 -0.996 . . . . 1.0 109.34 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' THR . 17.5 t80 -134.91 -45.99 0.73 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.427 -0.796 . . . . 1.0 110.34 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.458 HG23 ' HB3' ' A' ' 15' ' ' SER . 61.4 p -41.19 -35.23 0.57 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.396 -0.815 . . . . 1.0 110.608 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.549 HG23 ' N ' ' A' ' 20' ' ' GLY . 5.1 t -48.58 -42.94 35.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.112 -0.992 . . . . 1.0 110.489 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.549 ' N ' HG23 ' A' ' 19' ' ' THR . . . -45.94 -45.66 14.2 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.463 -1.455 . . . . 1.0 109.463 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.8 -39.08 64.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.302 -1.116 . . . . 1.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -32.57 74.29 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.924 . . . . 1.0 110.345 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' OXT' ' CG ' ' A' ' 23' ' ' LYS . 2.5 tpmt? . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 118.026 -0.988 . . . . 1.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 35.5 t70 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.198 0.523 . . . . 1.0 110.29 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -48.87 -47.83 42.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.126 -0.984 . . . . 1.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -23.2 44.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 1.0 109.868 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 3.8 t-20 -68.15 -36.33 79.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.336 -0.853 . . . . 1.0 109.893 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -69.75 -49.04 56.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.248 -0.908 . . . . 1.0 109.873 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.73 -34.48 27.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.141 -0.975 . . . . 1.0 109.443 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.586 ' HE3' ' HB2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -84.57 -46.41 11.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.385 -0.822 . . . . 1.0 109.883 179.537 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 12' ' ' SER . 2.1 m -53.0 -27.96 21.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.438 -0.789 . . . . 1.0 110.141 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 t -73.61 -19.13 60.95 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.288 -0.883 . . . . 1.0 110.404 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 10' ' ' LEU . 5.4 mt -110.03 -38.68 5.25 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.293 -0.88 . . . . 1.0 110.387 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.615 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 1.1 m-85 -81.26 -39.15 25.74 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 1.0 110.197 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.5 OUTLIER -77.14 -8.1 56.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.322 -0.861 . . . . 1.0 110.053 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.19 -36.4 17.99 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.541 -1.423 . . . . 1.0 109.541 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.615 ' CD1' ' HA ' ' A' ' 11' ' ' TYR . 32.6 p-90 -88.26 -31.33 19.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.182 -1.187 . . . . 1.0 110.731 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.597 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 42.4 t -110.06 -28.53 8.65 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.137 -0.977 . . . . 1.0 110.627 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.36 23.98 0.41 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.091 -1.006 . . . . 1.0 109.318 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -125.16 -39.74 2.2 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.514 -0.741 . . . . 1.0 109.989 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.473 HG23 ' H ' ' A' ' 18' ' ' THR . 29.4 p -50.14 -20.16 0.94 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.609 -0.682 . . . . 1.0 110.615 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -67.72 -20.07 65.22 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.205 -0.934 . . . . 1.0 110.516 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.21 -43.9 98.47 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.949 -1.26 . . . . 1.0 109.949 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.22 -35.58 63.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.181 -1.188 . . . . 1.0 110.532 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.5 m -69.45 -35.46 75.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.162 -0.961 . . . . 1.0 110.355 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 118.049 -0.977 . . . . 1.0 110.142 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.318 0.58 . . . . 1.0 110.187 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -48.96 -50.72 34.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.231 -0.918 . . . . 1.0 110.137 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -34.95 41.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.123 -0.986 . . . . 1.0 109.547 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 0.7 OUTLIER -56.65 -33.65 66.56 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.253 -0.904 . . . . 1.0 109.705 179.613 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' ALA . 32.3 t -70.1 -57.16 5.28 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.253 -0.904 . . . . 1.0 109.518 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . . . -44.98 -30.4 1.02 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.128 -0.982 . . . . 1.0 109.237 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.1 ttp -74.78 -52.38 11.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.483 -0.761 . . . . 1.0 109.955 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.7 p -51.15 -45.14 61.58 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.253 -0.904 . . . . 1.0 109.91 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -20.1 65.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -0.913 . . . . 1.0 109.621 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.488 ' HA ' HD23 ' A' ' 10' ' ' LEU . 3.0 mt -86.26 -48.96 8.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.464 -0.773 . . . . 1.0 109.893 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -45.82 60.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.319 -0.863 . . . . 1.0 110.015 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.1 m -84.91 12.36 7.64 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.387 -0.821 . . . . 1.0 110.116 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.78 -36.33 3.5 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.688 -1.365 . . . . 1.0 109.688 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.634 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 29.8 p-90 -83.65 -42.34 16.78 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.22 -1.164 . . . . 1.0 110.524 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.649 ' OG ' HG23 ' A' ' 18' ' ' THR . 1.0 OUTLIER -103.79 -37.48 7.44 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.213 -0.929 . . . . 1.0 110.58 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.9 OUTLIER 46.63 25.32 0.41 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.113 -0.992 . . . . 1.0 108.844 -179.165 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.401 ' N ' ' C ' ' A' ' 15' ' ' SER . 66.8 t80 -130.76 -43.46 1.1 Allowed 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.502 0.668 . . . . 1.0 110.039 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.649 HG23 ' OG ' ' A' ' 15' ' ' SER . 59.1 p -45.9 -30.26 1.68 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.382 -0.823 . . . . 1.0 110.18 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.521 HG23 ' N ' ' A' ' 20' ' ' GLY . 5.6 t -43.77 -38.87 3.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.281 -0.887 . . . . 1.0 109.767 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' N ' HG23 ' A' ' 19' ' ' THR . . . -60.76 -33.2 81.87 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 109.239 -1.544 . . . . 1.0 109.239 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -69.11 -36.78 77.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.301 -1.117 . . . . 1.0 109.94 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 m -82.77 -25.99 32.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.352 -0.843 . . . . 1.0 109.949 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 tttm . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.187 179.875 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.272 0.558 . . . . 1.0 110.186 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -46.25 -50.51 15.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.374 -0.829 . . . . 1.0 110.025 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -58.62 -28.95 66.11 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.285 -0.885 . . . . 1.0 109.889 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -37.55 79.54 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.234 -0.917 . . . . 1.0 109.623 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -69.23 -47.53 64.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.293 -0.88 . . . . 1.0 109.67 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.97 -30.67 59.64 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.207 -0.933 . . . . 1.0 109.385 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.532 ' O ' ' HE2' ' A' ' 7' ' ' MET . 0.0 OUTLIER -76.37 -45.85 30.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.46 -0.775 . . . . 1.0 109.84 179.587 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -41.89 -53.11 3.89 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.508 -0.745 . . . . 1.0 109.891 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.457 ' N ' ' OG ' ' A' ' 8' ' ' SER . 0.2 OUTLIER -49.91 -30.35 10.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.36 -0.837 . . . . 1.0 109.571 179.509 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 7' ' ' MET . 1.0 OUTLIER -82.98 -58.62 2.79 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.499 -0.751 . . . . 1.0 109.909 179.599 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.635 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -50.18 -30.4 11.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.271 -0.893 . . . . 1.0 109.845 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 t -98.36 3.86 48.57 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.364 -0.835 . . . . 1.0 110.049 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.63 -33.59 2.43 Favored Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.868 -1.293 . . . . 1.0 109.868 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.635 ' CD1' ' HA ' ' A' ' 11' ' ' TYR . 12.6 p-90 -79.9 -30.84 40.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.132 -1.216 . . . . 1.0 110.422 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.63 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 41.0 t -110.32 -28.52 8.55 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.219 -0.926 . . . . 1.0 110.248 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 44.28 26.14 0.15 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.273 -0.892 . . . . 1.0 109.255 -179.44 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' THR . 51.8 t80 -132.75 -43.47 0.9 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.552 -0.718 . . . . 1.0 110.291 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' PHE . 44.0 p -40.74 -35.07 0.44 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.536 -0.727 . . . . 1.0 110.414 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 20' ' ' GLY . 13.7 t -49.82 -32.95 15.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.161 -0.962 . . . . 1.0 110.081 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' HG23 ' A' ' 19' ' ' THR . . . -70.61 -37.48 68.03 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 109.466 -1.453 . . . . 1.0 109.466 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.21 -44.29 20.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.385 -1.068 . . . . 1.0 110.262 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.2 m -66.39 -30.56 70.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.213 -0.93 . . . . 1.0 110.203 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.994 -1.003 . . . . 1.0 110.289 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.2 t0 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.234 0.54 . . . . 1.0 110.141 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -46.71 -50.72 17.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.278 -0.889 . . . . 1.0 110.121 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -28.41 68.41 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.199 -0.938 . . . . 1.0 109.483 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.17 -35.29 77.81 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.461 -0.774 . . . . 1.0 109.647 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -73.39 -50.16 23.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.933 . . . . 1.0 109.561 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.12 -25.5 13.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.376 -0.827 . . . . 1.0 109.48 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.453 ' CE ' ' HB2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -78.25 -47.28 18.28 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.419 -0.8 . . . . 1.0 109.696 179.584 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 12' ' ' SER . 1.1 m -46.98 -48.24 21.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.435 -0.791 . . . . 1.0 110.388 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -62.1 -26.38 68.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.251 -0.906 . . . . 1.0 110.499 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.488 ' HA ' HD23 ' A' ' 10' ' ' LEU . 3.8 mt -87.55 -40.89 13.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 1.0 110.565 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.453 ' HB2' ' CE ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -87.04 -41.99 13.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.928 . . . . 1.0 110.574 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 8' ' ' SER . 9.0 t -81.98 11.83 4.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.292 -0.88 . . . . 1.0 110.427 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.05 -41.86 1.88 Allowed Glycine 0 N--CA 1.487 2.052 0 N-CA-C 109.886 -1.285 . . . . 1.0 109.886 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.631 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 16.3 p-90 -79.35 -30.29 42.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.165 -1.197 . . . . 1.0 110.471 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.631 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -106.27 -29.31 9.88 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.225 -0.922 . . . . 1.0 110.468 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t 51.66 21.53 1.36 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.197 -0.939 . . . . 1.0 109.365 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -133.53 -44.42 0.83 Allowed 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.604 -0.685 . . . . 1.0 110.159 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' THR . 41.6 p -45.99 -31.37 2.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.439 -0.788 . . . . 1.0 110.631 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' THR . 5.1 t -42.84 -29.04 0.29 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.132 -0.98 . . . . 1.0 110.173 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.44 -32.97 85.98 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 109.694 -1.362 . . . . 1.0 109.694 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -87.86 -35.01 18.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -1.131 . . . . 1.0 110.407 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.3 m -70.99 -30.53 66.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.182 -0.949 . . . . 1.0 110.205 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 mttm . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 118.061 -0.971 . . . . 1.0 110.189 179.88 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 2' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.242 0.544 . . . . 1.0 110.144 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' ASP . 13.4 t80 -42.5 -42.48 3.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.835 . . . . 1.0 110.015 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.415 HD22 ' HD1' ' A' ' 2' ' ' PHE . 1.5 mm? -51.82 -37.86 53.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.35 -0.843 . . . . 1.0 110.092 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 0.8 OUTLIER -61.56 -40.54 95.08 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.263 -0.898 . . . . 1.0 109.85 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -68.97 -48.51 62.97 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.224 -0.923 . . . . 1.0 109.736 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.23 -31.86 15.07 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.291 -0.881 . . . . 1.0 109.725 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.587 ' HE3' ' HB2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -78.57 -47.48 17.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.841 . . . . 1.0 110.14 179.798 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -44.9 37.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.169 -0.957 . . . . 1.0 109.918 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -34.1 56.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.252 -0.905 . . . . 1.0 110.116 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 3.5 mm? -79.67 -46.81 16.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.292 -0.88 . . . . 1.0 110.372 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.587 ' HB2' ' HE3' ' A' ' 7' ' ' MET . 0.5 OUTLIER -71.22 -47.53 56.75 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.206 -0.933 . . . . 1.0 110.53 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -74.58 0.43 14.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.34 -0.85 . . . . 1.0 110.175 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.76 -49.64 3.78 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 110.05 -1.22 . . . . 1.0 110.05 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.619 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 25.4 p-90 -76.65 -37.81 55.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.026 -1.279 . . . . 1.0 110.581 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.619 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 1.1 t -113.75 -27.52 7.77 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.102 -0.999 . . . . 1.0 110.76 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 46.5 26.9 0.55 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.094 -1.004 . . . . 1.0 108.581 -179.075 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.428 ' HB3' ' OG ' ' A' ' 15' ' ' SER . 20.8 t80 -133.82 -38.53 0.89 Allowed 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.427 0.632 . . . . 1.0 109.899 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.0 p -52.98 -34.02 54.14 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.536 -0.727 . . . . 1.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 20' ' ' GLY . 8.8 t -52.67 -39.31 61.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.213 -0.93 . . . . 1.0 110.286 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.524 ' N ' HG23 ' A' ' 19' ' ' THR . . . -58.88 -27.04 61.43 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.756 -1.337 . . . . 1.0 109.756 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.52 -42.79 6.43 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.252 -1.146 . . . . 1.0 110.112 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -77.58 -30.2 52.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.266 -0.896 . . . . 1.0 109.843 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 118.05 -0.976 . . . . 1.0 110.599 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 11.1 t70 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.192 0.52 . . . . 1.0 110.277 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -49.27 -43.64 43.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 1.0 110.126 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -31.51 66.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 1.0 109.77 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 1.1 t-20 -63.59 -39.44 94.38 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.374 -0.829 . . . . 1.0 109.722 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -51.79 39.76 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.329 -0.857 . . . . 1.0 109.75 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.62 -24.1 7.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.321 -0.862 . . . . 1.0 109.443 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -85.35 -49.02 8.48 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.463 -0.773 . . . . 1.0 109.882 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 12' ' ' SER . 26.1 p -63.19 -28.54 70.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.301 -0.875 . . . . 1.0 109.911 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.4 p -77.03 -26.08 53.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.302 -0.874 . . . . 1.0 110.103 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.527 ' HA ' HD23 ' A' ' 10' ' ' LEU . 3.6 mt -95.73 -32.89 12.52 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.298 -0.876 . . . . 1.0 110.32 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.42 -43.19 8.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.241 -0.912 . . . . 1.0 110.186 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -89.24 16.09 7.9 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.352 -0.843 . . . . 1.0 109.987 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.42 -25.76 4.53 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 109.725 -1.35 . . . . 1.0 109.725 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 20.9 p-90 -90.94 -39.63 12.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.244 -1.151 . . . . 1.0 110.276 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.616 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -106.25 -29.95 9.49 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.203 -0.936 . . . . 1.0 110.58 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.02 24.86 0.68 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.133 -0.979 . . . . 1.0 109.05 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -128.45 -47.36 1.3 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.58 -0.7 . . . . 1.0 110.061 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.45 HG23 ' OG ' ' A' ' 15' ' ' SER . 35.1 p -47.94 -39.53 19.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 1.0 110.077 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 20' ' ' GLY . 4.0 t -45.62 -36.22 4.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.291 -0.88 . . . . 1.0 110.321 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.43 ' N ' HG23 ' A' ' 19' ' ' THR . . . -70.95 -21.19 78.2 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.702 -1.359 . . . . 1.0 109.702 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -104.98 -35.36 7.69 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.198 -1.178 . . . . 1.0 110.336 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.3 m -81.34 -28.63 34.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 1.0 110.114 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.431 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.229 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 14.7 t70 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.214 0.53 . . . . 1.0 110.15 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 2' ' ' PHE . 6.9 t80 -45.92 -45.16 15.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.184 -0.948 . . . . 1.0 109.937 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.478 ' HA ' HD13 ' A' ' 3' ' ' LEU . 3.0 mm? -58.27 -28.77 65.25 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.177 -0.952 . . . . 1.0 109.535 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 1.0 OUTLIER -61.02 -40.6 94.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.356 -0.84 . . . . 1.0 109.624 179.437 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -68.69 -51.67 39.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 1.0 109.746 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.55 -25.79 7.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.212 -0.93 . . . . 1.0 109.566 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -47.82 16.0 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.431 -0.793 . . . . 1.0 110.138 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.48 ' O ' ' HB3' ' A' ' 12' ' ' SER . 0.2 OUTLIER -49.7 -23.9 2.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.392 -0.818 . . . . 1.0 110.41 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 t -74.21 -27.26 60.71 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.232 -0.917 . . . . 1.0 110.461 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 10' ' ' LEU . 1.1 mt -91.54 -39.47 11.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.136 -0.978 . . . . 1.0 110.357 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -39.04 33.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.302 -0.873 . . . . 1.0 110.433 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.48 ' HB3' ' O ' ' A' ' 8' ' ' SER . 4.9 t -87.84 14.67 8.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.901 . . . . 1.0 110.544 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.27 -38.56 1.22 Allowed Glycine 0 N--CA 1.486 2.015 0 N-CA-C 109.932 -1.267 . . . . 1.0 109.932 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.609 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 20.9 p-90 -76.39 -37.51 57.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.238 -1.154 . . . . 1.0 110.703 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.609 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 17.2 t -119.01 -39.61 2.92 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.26 -0.9 . . . . 1.0 110.847 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.5 24.97 0.56 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.059 -1.025 . . . . 1.0 108.618 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 20' ' ' GLY . 58.5 t80 -120.97 -46.11 2.34 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.705 -0.622 . . . . 1.0 109.978 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.468 HG23 ' H ' ' A' ' 18' ' ' THR . 32.1 p -40.99 -33.66 0.34 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.61 -0.681 . . . . 1.0 110.147 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' LYS . 3.1 t -65.65 -30.71 71.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.353 -0.842 . . . . 1.0 110.193 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -68.15 -40.35 88.07 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 109.49 -1.444 . . . . 1.0 109.49 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.96 -45.67 48.77 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.274 -1.133 . . . . 1.0 110.137 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -80.91 -25.06 37.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.352 -0.843 . . . . 1.0 110.088 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.991 -1.004 . . . . 1.0 110.103 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.244 0.545 . . . . 1.0 110.213 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 2' ' ' PHE . 9.0 t80 -52.19 -44.9 64.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 1.0 110.218 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -28.49 69.19 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.268 -0.895 . . . . 1.0 109.851 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.72 -27.31 64.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 1.0 109.772 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -75.39 -49.53 18.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.391 -0.818 . . . . 1.0 110.059 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.34 -32.01 62.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.121 -0.987 . . . . 1.0 109.578 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.509 ' CE ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -79.73 -41.89 25.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.472 -0.768 . . . . 1.0 109.717 179.564 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -40.43 -44.63 2.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.645 -0.659 . . . . 1.0 110.252 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.6 -36.83 69.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.185 -0.947 . . . . 1.0 109.555 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.509 ' HB3' ' CE ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -79.7 -54.69 5.62 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.491 -0.755 . . . . 1.0 109.959 179.538 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 1.5 t80 -54.2 -32.05 54.68 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.309 -0.87 . . . . 1.0 110.513 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.1 m -93.3 1.28 57.05 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.231 -0.918 . . . . 1.0 110.669 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.55 -5.84 36.2 Favored Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.869 -1.157 . . . . 1.0 110.303 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.617 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 29.6 p-90 -108.92 -38.02 5.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.953 -1.322 . . . . 1.0 110.984 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.617 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 2.0 t -109.07 -31.9 7.44 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.161 -0.962 . . . . 1.0 110.869 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER 46.95 24.98 0.42 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.11 -0.994 . . . . 1.0 108.973 -179.156 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.438 ' HB3' ' OG ' ' A' ' 15' ' ' SER . 29.9 t80 -126.07 -43.7 1.8 Allowed 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.597 -0.689 . . . . 1.0 109.967 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.488 ' H ' HG23 ' A' ' 18' ' ' THR . 42.6 p -41.89 -39.42 1.82 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.419 -0.801 . . . . 1.0 110.224 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.554 HG23 ' N ' ' A' ' 20' ' ' GLY . 5.9 t -51.05 -42.51 60.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.238 -0.914 . . . . 1.0 110.068 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.554 ' N ' HG23 ' A' ' 19' ' ' THR . . . -63.86 -38.84 96.7 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.508 -1.437 . . . . 1.0 109.508 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.96 -9.82 50.0 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.261 -1.141 . . . . 1.0 110.331 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' THR . 72.9 m -100.41 -27.53 13.4 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.249 -0.907 . . . . 1.0 110.291 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.989 -1.005 . . . . 1.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.089 0.471 . . . . 1.0 110.353 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -58.24 -42.41 86.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.198 -0.939 . . . . 1.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 3' ' ' LEU . 2.7 mm? -52.27 -27.41 14.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 1.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 0.8 OUTLIER -63.37 -42.22 98.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.321 -0.862 . . . . 1.0 110.162 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -49.68 71.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 1.0 109.961 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.98 -28.71 64.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.126 -0.984 . . . . 1.0 109.594 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -81.89 -39.17 24.25 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.358 -0.839 . . . . 1.0 109.664 179.443 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 7' ' ' MET . 0.5 OUTLIER -43.18 -48.5 6.46 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.458 -0.776 . . . . 1.0 109.947 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -21.51 64.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 1.0 109.631 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 7' ' ' MET . 2.2 mt -84.23 -40.93 17.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.317 -0.864 . . . . 1.0 110.126 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.49 ' HB2' ' HE2' ' A' ' 7' ' ' MET . 0.1 OUTLIER -86.72 -17.79 32.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.218 -0.926 . . . . 1.0 110.306 -179.784 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.6 p -98.86 0.36 44.03 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.23 -0.919 . . . . 1.0 110.353 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.41 -36.23 4.69 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.927 -1.269 . . . . 1.0 109.927 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.622 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 23.4 p-90 -80.27 -43.47 21.28 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.044 -1.268 . . . . 1.0 110.865 -179.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.622 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -105.88 -38.22 6.42 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.124 -0.985 . . . . 1.0 110.586 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.4 OUTLIER 46.59 26.2 0.5 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.078 -1.014 . . . . 1.0 108.741 -179.073 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 20' ' ' GLY . 27.7 t80 -127.2 -48.76 1.45 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.695 -0.628 . . . . 1.0 110.774 -179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.471 HG23 ' OG ' ' A' ' 15' ' ' SER . 37.9 p -38.08 -33.03 0.08 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.457 -0.777 . . . . 1.0 110.731 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.531 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 9.3 t -85.79 -26.83 25.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.222 -0.924 . . . . 1.0 110.642 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -49.68 -49.83 32.92 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.205 -1.158 . . . . 1.0 110.205 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.75 -19.95 26.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.118 -1.225 . . . . 1.0 110.817 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.531 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 72.5 m -82.53 -24.37 34.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.106 -0.996 . . . . 1.0 110.631 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.3 tttt . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 117.979 -1.01 . . . . 1.0 110.203 -179.877 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.159 0.505 . . . . 1.0 110.199 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -49.26 -52.03 29.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.26 -0.9 . . . . 1.0 109.979 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.478 ' HA ' HD22 ' A' ' 3' ' ' LEU . 0.7 OUTLIER -51.07 -25.17 4.6 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 1.0 109.925 179.755 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 1.2 t-20 -69.42 -45.13 69.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.384 -0.822 . . . . 1.0 109.876 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 t -67.46 -39.66 85.33 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.186 -0.946 . . . . 1.0 109.746 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.61 -30.47 67.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 1.0 109.448 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.83 -46.25 10.12 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.514 -0.741 . . . . 1.0 109.773 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.525 ' O ' ' CB ' ' A' ' 12' ' ' SER . 3.3 t -49.51 -32.84 13.12 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.347 -0.846 . . . . 1.0 109.855 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 t -64.84 -27.71 69.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 1.0 109.649 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 10' ' ' LEU . 4.8 mt -79.68 -56.15 4.5 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.405 -0.809 . . . . 1.0 109.973 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.411 ' CD2' HG21 ' A' ' 18' ' ' THR . 0.5 OUTLIER -72.65 -42.63 64.17 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.882 . . . . 1.0 110.224 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.4 OUTLIER -82.41 8.83 10.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.368 -0.832 . . . . 1.0 110.027 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.81 -30.7 6.32 Favored Glycine 0 N--CA 1.486 2.021 0 N-CA-C 109.757 -1.337 . . . . 1.0 109.757 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.583 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 8.4 p-90 -106.86 -26.55 11.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.059 -1.26 . . . . 1.0 110.734 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -103.89 -24.27 13.29 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.055 -1.028 . . . . 1.0 110.564 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.79 24.41 0.57 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.083 -1.011 . . . . 1.0 109.003 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 15.7 t80 -133.18 -41.53 0.89 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.539 0.685 . . . . 1.0 110.183 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 17' ' ' PHE . 41.4 p -38.03 -41.59 0.58 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.794 -0.566 . . . . 1.0 111.012 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -52.52 -22.08 4.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.111 -0.993 . . . . 1.0 110.338 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.22 -44.29 86.75 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.611 -1.396 . . . . 1.0 109.611 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.52 80.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.344 -1.092 . . . . 1.0 110.296 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.89 -24.63 26.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.28 -0.888 . . . . 1.0 110.388 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.245 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 2' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.264 0.555 . . . . 1.0 110.234 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 1' ' ' ASP . 74.6 t80 -43.18 -44.39 5.11 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.187 -0.946 . . . . 1.0 110.17 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.47 -37.83 68.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.251 -0.905 . . . . 1.0 110.146 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.34 -41.84 89.02 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.261 -0.899 . . . . 1.0 109.858 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -41.76 60.89 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.302 -0.874 . . . . 1.0 109.764 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.75 -23.29 63.09 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.159 -0.963 . . . . 1.0 109.312 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.34 -48.79 6.7 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.43 -0.794 . . . . 1.0 109.86 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 12' ' ' SER . 29.5 t -59.35 -43.22 92.83 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.404 -0.918 . . . . 1.0 109.22 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.6 p -57.58 -23.56 51.43 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.323 -0.861 . . . . 1.0 109.475 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 10' ' ' LEU . 1.4 mt -89.31 -59.84 2.11 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.333 -0.854 . . . . 1.0 110.531 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -43.34 18.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.065 -1.022 . . . . 1.0 110.128 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' A' ' 8' ' ' SER . 55.8 m -86.52 14.12 7.33 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.376 -0.828 . . . . 1.0 109.482 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.74 -47.11 1.21 Allowed Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.712 -1.355 . . . . 1.0 109.712 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.62 ' CZ2' ' HB2' ' A' ' 15' ' ' SER . 8.7 p-90 -76.0 -30.5 58.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.075 -1.25 . . . . 1.0 110.082 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.62 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 36.9 t -112.64 -26.05 8.82 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.239 -0.913 . . . . 1.0 110.083 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER 43.45 27.1 0.13 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.35 -0.844 . . . . 1.0 109.196 -179.401 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 20' ' ' GLY . 48.4 t80 -133.86 -42.28 0.83 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.547 -0.72 . . . . 1.0 110.21 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.453 HG23 ' H ' ' A' ' 18' ' ' THR . 42.7 p -41.54 -35.25 0.69 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.457 -0.777 . . . . 1.0 110.162 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 t -75.36 -33.05 61.04 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.905 . . . . 1.0 109.891 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -62.84 -29.83 75.28 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.34 -1.504 . . . . 1.0 109.34 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.96 -34.8 29.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.373 -1.075 . . . . 1.0 110.15 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 18' ' ' THR . 0.8 OUTLIER -75.59 -26.95 58.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.284 -0.885 . . . . 1.0 110.362 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 117.951 -1.023 . . . . 1.0 110.151 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 4' ' ' ASN . 3.9 t0 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.266 0.555 . . . . 1.0 110.12 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -48.48 -43.57 34.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.221 -0.925 . . . . 1.0 109.981 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -23.15 67.25 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.155 -0.965 . . . . 1.0 109.336 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 1' ' ' ASP . 3.7 t-20 -68.17 -39.65 82.49 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.434 -0.792 . . . . 1.0 109.763 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -70.17 -49.8 46.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.283 -0.886 . . . . 1.0 109.854 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.93 -23.74 33.6 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.188 -0.945 . . . . 1.0 109.516 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.452 ' HE3' ' HA ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -85.04 -45.37 12.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.41 -0.806 . . . . 1.0 110.036 179.822 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -49.28 -49.17 44.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.238 -0.914 . . . . 1.0 109.907 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 p -51.34 -27.09 8.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.281 -0.887 . . . . 1.0 109.375 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 10' ' ' LEU . 6.0 mt -90.57 -62.31 1.49 Allowed 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.461 -0.774 . . . . 1.0 110.051 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.504 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -50.47 -57.15 8.7 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.394 -0.816 . . . . 1.0 110.525 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 31.2 t -77.58 4.93 10.09 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.339 -0.85 . . . . 1.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.49 -28.2 4.68 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 110.086 -1.206 . . . . 1.0 110.086 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.638 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 7.3 p-90 -97.51 -30.56 12.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.176 -1.191 . . . . 1.0 110.804 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.638 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 5.0 t -132.47 -35.11 1.16 Allowed 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.121 -0.987 . . . . 1.0 111.256 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 46.72 26.56 0.56 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.023 -1.048 . . . . 1.0 108.575 -178.828 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.44 ' HB3' ' OG ' ' A' ' 15' ' ' SER . 33.0 t80 -127.1 -40.12 1.87 Allowed 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 121.408 0.623 . . . . 1.0 110.186 -179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.1 p -48.42 -26.95 2.33 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.39 -0.818 . . . . 1.0 110.453 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.4 t -66.28 -30.65 71.12 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.161 -0.962 . . . . 1.0 110.303 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.05 -36.45 92.92 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.602 -1.399 . . . . 1.0 109.602 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.93 -38.17 72.88 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.213 -1.169 . . . . 1.0 110.363 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.81 -31.71 69.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.242 -0.911 . . . . 1.0 110.138 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.952 -1.023 . . . . 1.0 110.245 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.6 t0 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.226 0.536 . . . . 1.0 110.376 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -52.54 -43.14 64.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.144 -0.973 . . . . 1.0 110.289 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -25.72 64.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.127 -0.983 . . . . 1.0 109.432 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -69.53 -35.62 75.64 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.523 -0.735 . . . . 1.0 109.291 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -51.83 45.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.311 -0.868 . . . . 1.0 109.787 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.18 -25.02 58.3 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.188 -0.945 . . . . 1.0 109.427 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -85.37 -42.45 14.55 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.475 -0.765 . . . . 1.0 110.151 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 12' ' ' SER . 33.9 t -57.99 -45.29 87.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.293 -0.879 . . . . 1.0 109.927 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 t -67.21 -24.87 65.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.266 -0.896 . . . . 1.0 109.985 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -84.89 -42.39 15.08 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.297 -0.877 . . . . 1.0 110.665 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.64 -38.04 9.28 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 1.0 110.494 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -85.01 -1.58 56.98 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.318 -0.864 . . . . 1.0 110.184 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.29 -37.33 6.69 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.894 -1.283 . . . . 1.0 109.894 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.58 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 6.1 p-90 -85.62 -28.91 24.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.128 -1.219 . . . . 1.0 110.662 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.58 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -105.7 -28.33 10.77 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.218 -0.926 . . . . 1.0 110.217 179.744 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.7 24.45 0.55 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.311 -0.868 . . . . 1.0 109.25 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 10.4 t80 -134.96 -41.71 0.74 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.409 -0.807 . . . . 1.0 110.51 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' PHE . 75.2 p -40.68 -38.39 0.89 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.498 -0.751 . . . . 1.0 110.557 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' LYS . 1.8 t -56.44 -21.02 22.59 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.223 -0.923 . . . . 1.0 110.715 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.94 -51.15 47.53 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.584 -1.407 . . . . 1.0 109.584 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 -52.01 11.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.2 -1.176 . . . . 1.0 110.394 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.6 m -60.72 -25.22 66.27 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.234 -0.916 . . . . 1.0 110.204 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.46 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.162 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.286 0.565 . . . . 1.0 110.147 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -44.96 -42.06 7.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.283 -0.886 . . . . 1.0 110.117 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 7' ' ' MET . 4.0 mm? -59.18 -33.7 71.25 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.301 -0.874 . . . . 1.0 110.026 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -36.92 85.7 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.303 -0.873 . . . . 1.0 109.945 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -50.38 41.67 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.225 -0.922 . . . . 1.0 109.796 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.79 -26.59 62.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.185 -0.947 . . . . 1.0 109.263 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -88.29 -43.58 11.45 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.468 -0.77 . . . . 1.0 109.744 179.398 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 7' ' ' MET . 13.4 t -44.1 -38.76 3.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.266 -0.896 . . . . 1.0 109.668 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -29.57 70.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.272 -0.893 . . . . 1.0 109.514 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -81.38 -52.17 7.56 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.51 -0.744 . . . . 1.0 110.103 179.716 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.415 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -57.27 -38.68 74.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.174 -0.954 . . . . 1.0 109.68 179.756 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -92.1 1.43 57.21 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.569 -0.707 . . . . 1.0 109.795 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.28 -38.63 4.22 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.66 -1.376 . . . . 1.0 109.66 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.614 ' CD2' ' N ' ' A' ' 15' ' ' SER . 11.1 p-90 -77.96 -39.96 40.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.037 -1.272 . . . . 1.0 110.324 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.614 ' N ' ' CD2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -87.08 -31.93 20.22 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.188 -0.945 . . . . 1.0 110.165 179.718 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.78 24.33 0.56 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.226 -0.921 . . . . 1.0 109.079 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.524 ' O ' ' N ' ' A' ' 19' ' ' THR . 77.6 t80 -140.1 -42.47 0.42 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.563 -0.71 . . . . 1.0 110.504 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' PHE . 25.4 p -34.95 -30.86 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.313 0.578 . . . . 1.0 110.72 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 17' ' ' PHE . 20.3 p -42.76 -53.59 4.49 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.287 -0.883 . . . . 1.0 110.124 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.25 -23.09 2.68 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.485 -1.446 . . . . 1.0 109.485 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -99.09 -49.77 4.39 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.22 -1.165 . . . . 1.0 110.295 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.0 m -71.15 -28.05 63.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 1.0 110.26 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.285 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 121.309 0.576 . . . . 1.0 110.638 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' ASP . 10.0 t80 -43.21 -46.95 6.29 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.32 -0.863 . . . . 1.0 110.232 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' A' ' 3' ' ' LEU . 3.1 mm? -57.95 -29.54 65.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.261 -0.9 . . . . 1.0 110.15 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 1' ' ' ASP . 0.4 OUTLIER -69.81 -34.21 73.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.197 -0.939 . . . . 1.0 109.885 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -74.81 -46.19 38.4 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.304 -0.873 . . . . 1.0 109.626 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.33 -29.19 32.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.241 -0.912 . . . . 1.0 109.403 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.466 ' HE2' ' HB2' ' A' ' 11' ' ' TYR . 1.2 ttp -84.04 -48.52 9.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.474 -0.766 . . . . 1.0 109.725 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 12' ' ' SER . 1.1 p -52.2 -46.36 65.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.359 -0.838 . . . . 1.0 110.196 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -27.49 67.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.239 -0.913 . . . . 1.0 109.684 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.48 ' HA ' HD23 ' A' ' 10' ' ' LEU . 1.9 mt -90.17 -51.5 5.42 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.426 -0.796 . . . . 1.0 110.037 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.466 ' HB2' ' HE2' ' A' ' 7' ' ' MET . 0.2 OUTLIER -73.99 -48.23 31.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.31 -0.869 . . . . 1.0 110.147 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 8' ' ' SER . 1.7 m -80.83 6.91 11.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.356 -0.84 . . . . 1.0 110.005 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.13 -27.14 9.58 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 110.099 -1.2 . . . . 1.0 110.099 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.623 ' CZ2' ' HB2' ' A' ' 15' ' ' SER . 8.9 p-90 -102.39 -28.53 12.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.978 -1.307 . . . . 1.0 110.501 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.623 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 46.9 t -108.0 -25.89 10.94 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.19 -0.944 . . . . 1.0 110.17 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 45.1 25.46 0.17 Allowed 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.244 -0.91 . . . . 1.0 109.422 -179.483 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 18' ' ' THR . 3.5 t80 -132.64 -42.85 0.92 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.563 -0.71 . . . . 1.0 109.937 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 18' ' ' THR . 42.3 p -42.09 -34.91 0.8 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.469 -0.769 . . . . 1.0 110.145 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 t -52.52 -26.99 14.65 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 1.0 110.033 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.49 -41.85 99.75 Favored Glycine 0 N--CA 1.486 2.017 0 N-CA-C 109.517 -1.433 . . . . 1.0 109.517 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 -51.24 37.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.333 -1.098 . . . . 1.0 110.194 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -56.43 -31.48 63.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.244 -0.91 . . . . 1.0 110.105 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.228 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.348 0.594 . . . . 1.0 110.4 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -127.22 -60.64 1.19 Allowed 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.212 -0.93 . . . . 1.0 109.779 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.8 mm? -57.54 -23.87 52.83 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.533 -0.867 . . . . 1.0 108.876 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.53 -44.6 82.02 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.636 -0.665 . . . . 1.0 109.445 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -50.77 63.64 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.281 -0.887 . . . . 1.0 109.611 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.96 -27.93 34.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.251 -0.906 . . . . 1.0 109.441 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.527 ' HE3' ' HB2' ' A' ' 11' ' ' TYR . 3.3 mmm -89.7 -45.39 9.35 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.462 -0.773 . . . . 1.0 109.808 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.482 ' HA ' ' OG ' ' A' ' 12' ' ' SER . 30.4 t -49.3 -40.24 34.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.27 -0.894 . . . . 1.0 109.818 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -17.53 48.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.28 -0.887 . . . . 1.0 109.907 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.457 ' HA ' HD23 ' A' ' 10' ' ' LEU . 9.6 mt -104.72 -52.27 2.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.289 -0.882 . . . . 1.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.527 ' HB2' ' HE3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -74.61 -44.53 50.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.236 -0.915 . . . . 1.0 110.071 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.482 ' OG ' ' HA ' ' A' ' 8' ' ' SER . 1.2 m -72.7 -3.74 26.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.425 -0.797 . . . . 1.0 109.955 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.5 -43.32 7.42 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.539 -1.424 . . . . 1.0 109.539 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.616 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 21.0 p-90 -82.39 -29.19 30.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.136 -1.214 . . . . 1.0 110.59 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.616 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 1.2 t -117.55 -28.73 5.98 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.176 -0.952 . . . . 1.0 110.682 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.471 ' CA ' ' O ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 47.36 25.08 0.54 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.018 -1.051 . . . . 1.0 109.134 -179.371 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 20' ' ' GLY . 73.2 t80 -127.2 -44.39 1.59 Allowed 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.557 -0.714 . . . . 1.0 110.158 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 17' ' ' PHE . 41.1 p -42.4 -31.13 0.38 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 1.0 110.353 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 t -76.09 -29.02 57.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.378 -0.826 . . . . 1.0 110.364 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -56.2 -36.33 68.17 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.664 -1.374 . . . . 1.0 109.664 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.26 -52.4 10.07 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.332 -1.099 . . . . 1.0 110.421 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 m -60.94 -35.96 78.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.139 -0.975 . . . . 1.0 110.287 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ASP . . . . . 0.507 ' HB3' ' HB2' ' A' ' 4' ' ' ASN . 11.9 m-20 . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 121.359 0.6 . . . . 1.0 110.443 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.454 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 8.4 t80 -83.92 -65.61 0.99 Allowed 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.435 -0.791 . . . . 1.0 109.935 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.454 ' N ' ' CD2' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -50.04 -22.73 1.71 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.276 -0.89 . . . . 1.0 109.629 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 1' ' ' ASP . 3.6 m-20 -66.59 -39.81 88.59 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.484 -0.76 . . . . 1.0 109.642 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -69.46 -52.45 26.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.275 -0.89 . . . . 1.0 109.512 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.05 -32.94 16.75 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.253 -0.904 . . . . 1.0 109.385 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.4 ttp -80.01 -47.51 14.81 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.613 -0.679 . . . . 1.0 110.036 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -49.88 -41.01 44.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.338 -0.851 . . . . 1.0 109.863 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -56.5 -34.39 66.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.341 -0.849 . . . . 1.0 109.765 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -89.19 -52.69 4.93 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.405 -0.81 . . . . 1.0 110.236 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.72 -48.67 24.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 1.0 109.963 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -75.56 -3.4 34.03 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.399 -0.813 . . . . 1.0 109.778 179.602 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.71 -37.59 13.42 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.562 -1.415 . . . . 1.0 109.562 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.619 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 18.8 p-90 -91.73 -30.26 16.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.13 -1.218 . . . . 1.0 110.348 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.619 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -108.6 -27.18 10.0 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.296 -0.878 . . . . 1.0 110.327 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 12' ' ' SER . 0.3 OUTLIER 46.93 25.65 0.49 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.235 -0.916 . . . . 1.0 108.968 -179.269 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -135.93 -47.55 0.66 Allowed 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.628 -0.67 . . . . 1.0 110.188 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.465 HG23 ' OG ' ' A' ' 15' ' ' SER . 72.8 p -44.03 -41.33 5.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 1.0 110.389 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.469 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 14.3 t -57.8 -25.47 60.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.162 -0.961 . . . . 1.0 110.18 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' THR . . . -45.4 -54.98 7.07 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.618 -1.393 . . . . 1.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.9 -37.55 34.47 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.358 -1.084 . . . . 1.0 110.283 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.469 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 13.2 m -51.14 -31.6 20.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.162 -0.961 . . . . 1.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tttt . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 117.987 -1.006 . . . . 1.0 110.227 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.9 t0 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.218 0.532 . . . . 1.0 110.195 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -47.35 -47.33 25.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.294 -0.879 . . . . 1.0 110.263 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -54.64 -28.97 50.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.936 . . . . 1.0 109.753 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -62.92 -36.16 82.47 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.338 -0.851 . . . . 1.0 109.858 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -68.03 -54.4 18.68 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.286 -0.884 . . . . 1.0 109.861 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.03 -24.47 9.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.17 -0.956 . . . . 1.0 109.314 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.407 ' HE1' ' CG ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -79.27 -45.69 19.24 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.434 -0.791 . . . . 1.0 110.118 179.757 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 12' ' ' SER . 23.5 m -57.36 -34.84 69.23 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 1.0 109.801 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -15.77 63.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.364 -0.835 . . . . 1.0 109.997 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 10' ' ' LEU . 3.0 mt -102.42 -48.53 4.14 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.294 -0.879 . . . . 1.0 110.492 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.407 ' CG ' ' HE1' ' A' ' 7' ' ' MET . 2.3 m-85 -82.95 -39.45 21.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.196 -0.94 . . . . 1.0 110.654 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.1 OUTLIER -82.72 13.25 3.93 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.85 . . . . 1.0 110.334 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.33 -41.61 1.74 Allowed Glycine 0 N--CA 1.486 1.995 0 N-CA-C 109.916 -1.274 . . . . 1.0 109.916 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.643 ' CD2' ' N ' ' A' ' 15' ' ' SER . 17.6 p-90 -83.67 -41.91 17.23 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.201 -1.176 . . . . 1.0 110.676 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.643 ' N ' ' CD2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -81.96 -31.94 30.99 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.086 -1.009 . . . . 1.0 110.453 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t 52.14 20.92 1.43 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.083 -1.01 . . . . 1.0 109.382 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' THR . 22.0 t80 -135.01 -42.28 0.73 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.603 -0.685 . . . . 1.0 110.031 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.629 HG23 ' HB3' ' A' ' 15' ' ' SER . 50.8 p -40.92 -27.32 0.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.507 -0.745 . . . . 1.0 110.339 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 20' ' ' GLY . 8.8 t -50.42 -35.35 28.13 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.138 -0.976 . . . . 1.0 109.803 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.458 ' N ' HG23 ' A' ' 19' ' ' THR . . . -52.38 -44.45 58.51 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.162 -1.575 . . . . 1.0 109.162 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.48 -35.35 24.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.257 -1.143 . . . . 1.0 110.197 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 70.8 m -74.93 -19.83 59.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.311 -0.868 . . . . 1.0 110.304 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' THR . 2.9 mmmt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.388 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 2' ' ' PHE . 27.8 t70 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.335 0.588 . . . . 1.0 110.233 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' ASP . 10.9 t80 -43.55 -47.99 7.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.158 -0.964 . . . . 1.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.5 -38.39 71.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.297 -0.877 . . . . 1.0 109.904 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.49 -42.09 96.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.266 -0.896 . . . . 1.0 109.8 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -43.23 95.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.335 -0.853 . . . . 1.0 109.581 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.93 -31.25 68.5 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.311 -0.868 . . . . 1.0 109.315 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -41.35 26.08 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.459 -0.775 . . . . 1.0 109.774 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -48.21 -31.86 6.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.39 -0.819 . . . . 1.0 110.004 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -72.4 -14.59 61.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.361 -0.837 . . . . 1.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.451 ' HA ' HD23 ' A' ' 10' ' ' LEU . 16.2 mt -98.37 -45.03 6.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.237 -0.914 . . . . 1.0 110.334 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -41.54 17.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 1.0 110.336 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.38 0.23 34.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.884 . . . . 1.0 110.244 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.99 -43.27 6.41 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 109.699 -1.361 . . . . 1.0 109.699 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.597 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 19.1 p-90 -87.59 -29.22 21.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -1.176 . . . . 1.0 110.545 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.597 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -99.38 -25.29 14.52 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.197 -0.939 . . . . 1.0 110.358 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t 48.94 23.62 0.73 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.185 -0.947 . . . . 1.0 109.243 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -133.82 -41.27 0.84 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.563 -0.71 . . . . 1.0 110.018 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.409 HG23 ' HB3' ' A' ' 15' ' ' SER . 74.8 p -43.94 -26.02 0.24 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.412 -0.805 . . . . 1.0 110.418 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.1 t -61.82 -22.26 65.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.92 . . . . 1.0 110.201 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.41 -42.66 97.55 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.554 -1.418 . . . . 1.0 109.554 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.14 23.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -1.132 . . . . 1.0 110.356 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 m -70.58 -34.47 72.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.18 -0.95 . . . . 1.0 110.186 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.244 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 4' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.165 0.507 . . . . 1.0 110.378 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' ASP . 35.6 t80 -43.34 -47.28 6.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.158 -0.964 . . . . 1.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -27.09 68.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 1.0 109.4 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 1' ' ' ASP . 11.2 t30 -70.95 -38.01 72.82 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.416 -0.803 . . . . 1.0 109.466 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -69.97 -46.85 64.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.355 -0.84 . . . . 1.0 109.806 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.29 -36.94 54.22 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.276 -0.89 . . . . 1.0 109.521 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.476 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.57 -46.85 52.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.457 -0.777 . . . . 1.0 109.871 179.39 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -42.82 -48.58 5.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.362 -0.836 . . . . 1.0 110.016 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 p -52.33 -26.27 11.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 1.0 109.891 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 7' ' ' MET . 5.4 mt -91.21 -44.3 9.31 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.358 -0.839 . . . . 1.0 110.167 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.413 ' CG ' ' HE1' ' A' ' 7' ' ' MET . 0.2 OUTLIER -72.79 -48.75 35.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.227 -0.921 . . . . 1.0 110.248 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.489 ' HB2' ' HB ' ' A' ' 19' ' ' THR . 0.1 OUTLIER -73.74 -5.74 42.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.331 -0.856 . . . . 1.0 110.0 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.26 -32.46 31.46 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.012 -1.235 . . . . 1.0 110.012 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.584 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 16.0 p-90 -104.37 -30.99 9.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.063 -1.257 . . . . 1.0 110.842 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.584 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -97.75 -29.08 13.58 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.071 -1.018 . . . . 1.0 110.45 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 53.28 19.81 1.68 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.107 -0.996 . . . . 1.0 109.34 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' THR . 17.5 t80 -134.91 -45.99 0.73 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.427 -0.796 . . . . 1.0 110.34 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.458 HG23 ' HB3' ' A' ' 15' ' ' SER . 61.4 p -41.19 -35.23 0.57 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.396 -0.815 . . . . 1.0 110.608 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.549 HG23 ' N ' ' A' ' 20' ' ' GLY . 5.1 t -48.58 -42.94 35.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.112 -0.992 . . . . 1.0 110.489 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.549 ' N ' HG23 ' A' ' 19' ' ' THR . . . -45.94 -45.66 14.2 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.463 -1.455 . . . . 1.0 109.463 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.8 -39.08 64.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.302 -1.116 . . . . 1.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -32.57 74.29 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.924 . . . . 1.0 110.345 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' OXT' ' CG ' ' A' ' 23' ' ' LYS . 2.5 tpmt? . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 118.026 -0.988 . . . . 1.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 35.5 t70 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.198 0.523 . . . . 1.0 110.29 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -48.87 -47.83 42.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.126 -0.984 . . . . 1.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -23.2 44.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 1.0 109.868 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 3.8 t-20 -68.15 -36.33 79.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.336 -0.853 . . . . 1.0 109.893 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -69.75 -49.04 56.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.248 -0.908 . . . . 1.0 109.873 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.73 -34.48 27.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.141 -0.975 . . . . 1.0 109.443 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.586 ' HE3' ' HB2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -84.57 -46.41 11.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.385 -0.822 . . . . 1.0 109.883 179.537 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 12' ' ' SER . 2.1 m -53.0 -27.96 21.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.438 -0.789 . . . . 1.0 110.141 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 t -73.61 -19.13 60.95 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.288 -0.883 . . . . 1.0 110.404 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.475 ' HA ' HD23 ' A' ' 10' ' ' LEU . 5.4 mt -110.03 -38.68 5.25 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.293 -0.88 . . . . 1.0 110.387 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.615 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 1.1 m-85 -81.26 -39.15 25.74 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 1.0 110.197 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.5 OUTLIER -77.14 -8.1 56.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.322 -0.861 . . . . 1.0 110.053 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.19 -36.4 17.99 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.541 -1.423 . . . . 1.0 109.541 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.615 ' CD1' ' HA ' ' A' ' 11' ' ' TYR . 32.6 p-90 -88.26 -31.33 19.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.182 -1.187 . . . . 1.0 110.731 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.597 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 42.4 t -110.06 -28.53 8.65 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.137 -0.977 . . . . 1.0 110.627 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.36 23.98 0.41 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.091 -1.006 . . . . 1.0 109.318 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -125.16 -39.74 2.2 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.514 -0.741 . . . . 1.0 109.989 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.473 HG23 ' H ' ' A' ' 18' ' ' THR . 29.4 p -50.14 -20.16 0.94 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.609 -0.682 . . . . 1.0 110.615 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -67.72 -20.07 65.22 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.205 -0.934 . . . . 1.0 110.516 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.21 -43.9 98.47 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.949 -1.26 . . . . 1.0 109.949 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.22 -35.58 63.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.181 -1.188 . . . . 1.0 110.532 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.5 m -69.45 -35.46 75.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.162 -0.961 . . . . 1.0 110.355 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 118.049 -0.977 . . . . 1.0 110.142 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.318 0.58 . . . . 1.0 110.187 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -48.96 -50.72 34.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.231 -0.918 . . . . 1.0 110.137 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -34.95 41.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.123 -0.986 . . . . 1.0 109.547 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 0.7 OUTLIER -56.65 -33.65 66.56 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.253 -0.904 . . . . 1.0 109.705 179.613 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' ALA . 32.3 t -70.1 -57.16 5.28 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.253 -0.904 . . . . 1.0 109.518 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . . . -44.98 -30.4 1.02 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.128 -0.982 . . . . 1.0 109.237 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.1 ttp -74.78 -52.38 11.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.483 -0.761 . . . . 1.0 109.955 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.7 p -51.15 -45.14 61.58 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.253 -0.904 . . . . 1.0 109.91 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -20.1 65.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -0.913 . . . . 1.0 109.621 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.488 ' HA ' HD23 ' A' ' 10' ' ' LEU . 3.0 mt -86.26 -48.96 8.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.464 -0.773 . . . . 1.0 109.893 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -45.82 60.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.319 -0.863 . . . . 1.0 110.015 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.1 m -84.91 12.36 7.64 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.387 -0.821 . . . . 1.0 110.116 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.78 -36.33 3.5 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.688 -1.365 . . . . 1.0 109.688 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.634 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 29.8 p-90 -83.65 -42.34 16.78 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.22 -1.164 . . . . 1.0 110.524 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.649 ' OG ' HG23 ' A' ' 18' ' ' THR . 1.0 OUTLIER -103.79 -37.48 7.44 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.213 -0.929 . . . . 1.0 110.58 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.9 OUTLIER 46.63 25.32 0.41 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.113 -0.992 . . . . 1.0 108.844 -179.165 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.401 ' N ' ' C ' ' A' ' 15' ' ' SER . 66.8 t80 -130.76 -43.46 1.1 Allowed 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.502 0.668 . . . . 1.0 110.039 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.649 HG23 ' OG ' ' A' ' 15' ' ' SER . 59.1 p -45.9 -30.26 1.68 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.382 -0.823 . . . . 1.0 110.18 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.521 HG23 ' N ' ' A' ' 20' ' ' GLY . 5.6 t -43.77 -38.87 3.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.281 -0.887 . . . . 1.0 109.767 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' N ' HG23 ' A' ' 19' ' ' THR . . . -60.76 -33.2 81.87 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 109.239 -1.544 . . . . 1.0 109.239 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -69.11 -36.78 77.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.301 -1.117 . . . . 1.0 109.94 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 m -82.77 -25.99 32.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.352 -0.843 . . . . 1.0 109.949 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 tttm . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.187 179.875 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.272 0.558 . . . . 1.0 110.186 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -46.25 -50.51 15.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.374 -0.829 . . . . 1.0 110.025 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -58.62 -28.95 66.11 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.285 -0.885 . . . . 1.0 109.889 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -37.55 79.54 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.234 -0.917 . . . . 1.0 109.623 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -69.23 -47.53 64.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.293 -0.88 . . . . 1.0 109.67 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.97 -30.67 59.64 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.207 -0.933 . . . . 1.0 109.385 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.532 ' O ' ' HE2' ' A' ' 7' ' ' MET . 0.0 OUTLIER -76.37 -45.85 30.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.46 -0.775 . . . . 1.0 109.84 179.587 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -41.89 -53.11 3.89 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.508 -0.745 . . . . 1.0 109.891 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.457 ' N ' ' OG ' ' A' ' 8' ' ' SER . 0.2 OUTLIER -49.91 -30.35 10.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.36 -0.837 . . . . 1.0 109.571 179.509 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 7' ' ' MET . 1.0 OUTLIER -82.98 -58.62 2.79 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.499 -0.751 . . . . 1.0 109.909 179.599 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.635 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -50.18 -30.4 11.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.271 -0.893 . . . . 1.0 109.845 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 t -98.36 3.86 48.57 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.364 -0.835 . . . . 1.0 110.049 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.63 -33.59 2.43 Favored Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.868 -1.293 . . . . 1.0 109.868 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.635 ' CD1' ' HA ' ' A' ' 11' ' ' TYR . 12.6 p-90 -79.9 -30.84 40.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.132 -1.216 . . . . 1.0 110.422 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.63 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 41.0 t -110.32 -28.52 8.55 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.219 -0.926 . . . . 1.0 110.248 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 44.28 26.14 0.15 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.273 -0.892 . . . . 1.0 109.255 -179.44 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' THR . 51.8 t80 -132.75 -43.47 0.9 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.552 -0.718 . . . . 1.0 110.291 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' PHE . 44.0 p -40.74 -35.07 0.44 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.536 -0.727 . . . . 1.0 110.414 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 20' ' ' GLY . 13.7 t -49.82 -32.95 15.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.161 -0.962 . . . . 1.0 110.081 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' HG23 ' A' ' 19' ' ' THR . . . -70.61 -37.48 68.03 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 109.466 -1.453 . . . . 1.0 109.466 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.21 -44.29 20.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.385 -1.068 . . . . 1.0 110.262 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.2 m -66.39 -30.56 70.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.213 -0.93 . . . . 1.0 110.203 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.994 -1.003 . . . . 1.0 110.289 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.2 t0 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.234 0.54 . . . . 1.0 110.141 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -46.71 -50.72 17.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.278 -0.889 . . . . 1.0 110.121 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -28.41 68.41 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.199 -0.938 . . . . 1.0 109.483 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.17 -35.29 77.81 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.461 -0.774 . . . . 1.0 109.647 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -73.39 -50.16 23.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.933 . . . . 1.0 109.561 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.12 -25.5 13.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.376 -0.827 . . . . 1.0 109.48 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.453 ' CE ' ' HB2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -78.25 -47.28 18.28 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.419 -0.8 . . . . 1.0 109.696 179.584 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 12' ' ' SER . 1.1 m -46.98 -48.24 21.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.435 -0.791 . . . . 1.0 110.388 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -62.1 -26.38 68.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.251 -0.906 . . . . 1.0 110.499 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.488 ' HA ' HD23 ' A' ' 10' ' ' LEU . 3.8 mt -87.55 -40.89 13.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 1.0 110.565 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.453 ' HB2' ' CE ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -87.04 -41.99 13.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.928 . . . . 1.0 110.574 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 8' ' ' SER . 9.0 t -81.98 11.83 4.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.292 -0.88 . . . . 1.0 110.427 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.05 -41.86 1.88 Allowed Glycine 0 N--CA 1.487 2.052 0 N-CA-C 109.886 -1.285 . . . . 1.0 109.886 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.631 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 16.3 p-90 -79.35 -30.29 42.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.165 -1.197 . . . . 1.0 110.471 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.631 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -106.27 -29.31 9.88 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.225 -0.922 . . . . 1.0 110.468 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t 51.66 21.53 1.36 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.197 -0.939 . . . . 1.0 109.365 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -133.53 -44.42 0.83 Allowed 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.604 -0.685 . . . . 1.0 110.159 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' THR . 41.6 p -45.99 -31.37 2.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.439 -0.788 . . . . 1.0 110.631 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' THR . 5.1 t -42.84 -29.04 0.29 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.132 -0.98 . . . . 1.0 110.173 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.44 -32.97 85.98 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 109.694 -1.362 . . . . 1.0 109.694 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -87.86 -35.01 18.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -1.131 . . . . 1.0 110.407 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.3 m -70.99 -30.53 66.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.182 -0.949 . . . . 1.0 110.205 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 mttm . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 118.061 -0.971 . . . . 1.0 110.189 179.88 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 2' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.242 0.544 . . . . 1.0 110.144 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' ASP . 13.4 t80 -42.5 -42.48 3.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.835 . . . . 1.0 110.015 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.415 HD22 ' HD1' ' A' ' 2' ' ' PHE . 1.5 mm? -51.82 -37.86 53.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.35 -0.843 . . . . 1.0 110.092 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 0.8 OUTLIER -61.56 -40.54 95.08 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.263 -0.898 . . . . 1.0 109.85 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -68.97 -48.51 62.97 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.224 -0.923 . . . . 1.0 109.736 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.23 -31.86 15.07 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.291 -0.881 . . . . 1.0 109.725 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.587 ' HE3' ' HB2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -78.57 -47.48 17.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.841 . . . . 1.0 110.14 179.798 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -44.9 37.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.169 -0.957 . . . . 1.0 109.918 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -34.1 56.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.252 -0.905 . . . . 1.0 110.116 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 10' ' ' LEU . 3.5 mm? -79.67 -46.81 16.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.292 -0.88 . . . . 1.0 110.372 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.587 ' HB2' ' HE3' ' A' ' 7' ' ' MET . 0.5 OUTLIER -71.22 -47.53 56.75 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.206 -0.933 . . . . 1.0 110.53 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -74.58 0.43 14.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.34 -0.85 . . . . 1.0 110.175 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.76 -49.64 3.78 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 110.05 -1.22 . . . . 1.0 110.05 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.619 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 25.4 p-90 -76.65 -37.81 55.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.026 -1.279 . . . . 1.0 110.581 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.619 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 1.1 t -113.75 -27.52 7.77 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.102 -0.999 . . . . 1.0 110.76 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 46.5 26.9 0.55 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.094 -1.004 . . . . 1.0 108.581 -179.075 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.428 ' HB3' ' OG ' ' A' ' 15' ' ' SER . 20.8 t80 -133.82 -38.53 0.89 Allowed 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.427 0.632 . . . . 1.0 109.899 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.0 p -52.98 -34.02 54.14 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.536 -0.727 . . . . 1.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 20' ' ' GLY . 8.8 t -52.67 -39.31 61.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.213 -0.93 . . . . 1.0 110.286 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.524 ' N ' HG23 ' A' ' 19' ' ' THR . . . -58.88 -27.04 61.43 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.756 -1.337 . . . . 1.0 109.756 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.52 -42.79 6.43 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.252 -1.146 . . . . 1.0 110.112 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -77.58 -30.2 52.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.266 -0.896 . . . . 1.0 109.843 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 118.05 -0.976 . . . . 1.0 110.599 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 11.1 t70 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.192 0.52 . . . . 1.0 110.277 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -49.27 -43.64 43.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 1.0 110.126 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -31.51 66.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 1.0 109.77 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 1.1 t-20 -63.59 -39.44 94.38 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.374 -0.829 . . . . 1.0 109.722 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -51.79 39.76 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.329 -0.857 . . . . 1.0 109.75 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.62 -24.1 7.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.321 -0.862 . . . . 1.0 109.443 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -85.35 -49.02 8.48 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.463 -0.773 . . . . 1.0 109.882 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 12' ' ' SER . 26.1 p -63.19 -28.54 70.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.301 -0.875 . . . . 1.0 109.911 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.4 p -77.03 -26.08 53.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.302 -0.874 . . . . 1.0 110.103 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.527 ' HA ' HD23 ' A' ' 10' ' ' LEU . 3.6 mt -95.73 -32.89 12.52 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.298 -0.876 . . . . 1.0 110.32 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.42 -43.19 8.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.241 -0.912 . . . . 1.0 110.186 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -89.24 16.09 7.9 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.352 -0.843 . . . . 1.0 109.987 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.42 -25.76 4.53 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 109.725 -1.35 . . . . 1.0 109.725 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 20.9 p-90 -90.94 -39.63 12.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.244 -1.151 . . . . 1.0 110.276 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.616 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -106.25 -29.95 9.49 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.203 -0.936 . . . . 1.0 110.58 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.02 24.86 0.68 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.133 -0.979 . . . . 1.0 109.05 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -128.45 -47.36 1.3 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.58 -0.7 . . . . 1.0 110.061 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.45 HG23 ' OG ' ' A' ' 15' ' ' SER . 35.1 p -47.94 -39.53 19.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 1.0 110.077 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 20' ' ' GLY . 4.0 t -45.62 -36.22 4.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.291 -0.88 . . . . 1.0 110.321 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.43 ' N ' HG23 ' A' ' 19' ' ' THR . . . -70.95 -21.19 78.2 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.702 -1.359 . . . . 1.0 109.702 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -104.98 -35.36 7.69 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.198 -1.178 . . . . 1.0 110.336 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.3 m -81.34 -28.63 34.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 1.0 110.114 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.431 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.229 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 14.7 t70 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.214 0.53 . . . . 1.0 110.15 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 2' ' ' PHE . 6.9 t80 -45.92 -45.16 15.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.184 -0.948 . . . . 1.0 109.937 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.478 ' HA ' HD13 ' A' ' 3' ' ' LEU . 3.0 mm? -58.27 -28.77 65.25 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.177 -0.952 . . . . 1.0 109.535 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 1.0 OUTLIER -61.02 -40.6 94.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.356 -0.84 . . . . 1.0 109.624 179.437 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -68.69 -51.67 39.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 1.0 109.746 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.55 -25.79 7.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.212 -0.93 . . . . 1.0 109.566 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -47.82 16.0 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.431 -0.793 . . . . 1.0 110.138 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.48 ' O ' ' HB3' ' A' ' 12' ' ' SER . 0.2 OUTLIER -49.7 -23.9 2.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.392 -0.818 . . . . 1.0 110.41 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 t -74.21 -27.26 60.71 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.232 -0.917 . . . . 1.0 110.461 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 10' ' ' LEU . 1.1 mt -91.54 -39.47 11.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.136 -0.978 . . . . 1.0 110.357 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -39.04 33.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.302 -0.873 . . . . 1.0 110.433 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.48 ' HB3' ' O ' ' A' ' 8' ' ' SER . 4.9 t -87.84 14.67 8.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.901 . . . . 1.0 110.544 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.27 -38.56 1.22 Allowed Glycine 0 N--CA 1.486 2.015 0 N-CA-C 109.932 -1.267 . . . . 1.0 109.932 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.609 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 20.9 p-90 -76.39 -37.51 57.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.238 -1.154 . . . . 1.0 110.703 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.609 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 17.2 t -119.01 -39.61 2.92 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.26 -0.9 . . . . 1.0 110.847 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.5 24.97 0.56 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.059 -1.025 . . . . 1.0 108.618 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 20' ' ' GLY . 58.5 t80 -120.97 -46.11 2.34 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.705 -0.622 . . . . 1.0 109.978 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.468 HG23 ' H ' ' A' ' 18' ' ' THR . 32.1 p -40.99 -33.66 0.34 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.61 -0.681 . . . . 1.0 110.147 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' LYS . 3.1 t -65.65 -30.71 71.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.353 -0.842 . . . . 1.0 110.193 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -68.15 -40.35 88.07 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 109.49 -1.444 . . . . 1.0 109.49 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.96 -45.67 48.77 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.274 -1.133 . . . . 1.0 110.137 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -80.91 -25.06 37.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.352 -0.843 . . . . 1.0 110.088 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.991 -1.004 . . . . 1.0 110.103 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.244 0.545 . . . . 1.0 110.213 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 2' ' ' PHE . 9.0 t80 -52.19 -44.9 64.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 1.0 110.218 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -28.49 69.19 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.268 -0.895 . . . . 1.0 109.851 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.72 -27.31 64.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 1.0 109.772 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -75.39 -49.53 18.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.391 -0.818 . . . . 1.0 110.059 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.34 -32.01 62.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.121 -0.987 . . . . 1.0 109.578 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.509 ' CE ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -79.73 -41.89 25.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.472 -0.768 . . . . 1.0 109.717 179.564 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -40.43 -44.63 2.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.645 -0.659 . . . . 1.0 110.252 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.6 -36.83 69.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.185 -0.947 . . . . 1.0 109.555 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.509 ' HB3' ' CE ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -79.7 -54.69 5.62 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.491 -0.755 . . . . 1.0 109.959 179.538 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 1.5 t80 -54.2 -32.05 54.68 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.309 -0.87 . . . . 1.0 110.513 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.1 m -93.3 1.28 57.05 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.231 -0.918 . . . . 1.0 110.669 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.55 -5.84 36.2 Favored Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.869 -1.157 . . . . 1.0 110.303 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.617 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 29.6 p-90 -108.92 -38.02 5.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.953 -1.322 . . . . 1.0 110.984 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.617 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 2.0 t -109.07 -31.9 7.44 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.161 -0.962 . . . . 1.0 110.869 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER 46.95 24.98 0.42 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.11 -0.994 . . . . 1.0 108.973 -179.156 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.438 ' HB3' ' OG ' ' A' ' 15' ' ' SER . 29.9 t80 -126.07 -43.7 1.8 Allowed 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.597 -0.689 . . . . 1.0 109.967 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.488 ' H ' HG23 ' A' ' 18' ' ' THR . 42.6 p -41.89 -39.42 1.82 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.419 -0.801 . . . . 1.0 110.224 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.554 HG23 ' N ' ' A' ' 20' ' ' GLY . 5.9 t -51.05 -42.51 60.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.238 -0.914 . . . . 1.0 110.068 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.554 ' N ' HG23 ' A' ' 19' ' ' THR . . . -63.86 -38.84 96.7 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.508 -1.437 . . . . 1.0 109.508 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.96 -9.82 50.0 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.261 -1.141 . . . . 1.0 110.331 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' THR . 72.9 m -100.41 -27.53 13.4 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.249 -0.907 . . . . 1.0 110.291 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.989 -1.005 . . . . 1.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.089 0.471 . . . . 1.0 110.353 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -58.24 -42.41 86.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.198 -0.939 . . . . 1.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 3' ' ' LEU . 2.7 mm? -52.27 -27.41 14.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 1.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 0.8 OUTLIER -63.37 -42.22 98.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.321 -0.862 . . . . 1.0 110.162 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -49.68 71.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 1.0 109.961 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.98 -28.71 64.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.126 -0.984 . . . . 1.0 109.594 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -81.89 -39.17 24.25 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.358 -0.839 . . . . 1.0 109.664 179.443 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 7' ' ' MET . 0.5 OUTLIER -43.18 -48.5 6.46 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.458 -0.776 . . . . 1.0 109.947 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -21.51 64.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 1.0 109.631 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 7' ' ' MET . 2.2 mt -84.23 -40.93 17.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.317 -0.864 . . . . 1.0 110.126 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.49 ' HB2' ' HE2' ' A' ' 7' ' ' MET . 0.1 OUTLIER -86.72 -17.79 32.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.218 -0.926 . . . . 1.0 110.306 -179.784 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.6 p -98.86 0.36 44.03 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.23 -0.919 . . . . 1.0 110.353 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.41 -36.23 4.69 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.927 -1.269 . . . . 1.0 109.927 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.622 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 23.4 p-90 -80.27 -43.47 21.28 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.044 -1.268 . . . . 1.0 110.865 -179.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.622 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -105.88 -38.22 6.42 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.124 -0.985 . . . . 1.0 110.586 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.4 OUTLIER 46.59 26.2 0.5 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.078 -1.014 . . . . 1.0 108.741 -179.073 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 20' ' ' GLY . 27.7 t80 -127.2 -48.76 1.45 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.695 -0.628 . . . . 1.0 110.774 -179.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.471 HG23 ' OG ' ' A' ' 15' ' ' SER . 37.9 p -38.08 -33.03 0.08 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.457 -0.777 . . . . 1.0 110.731 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.531 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 9.3 t -85.79 -26.83 25.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.222 -0.924 . . . . 1.0 110.642 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -49.68 -49.83 32.92 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.205 -1.158 . . . . 1.0 110.205 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.75 -19.95 26.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.118 -1.225 . . . . 1.0 110.817 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.531 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 72.5 m -82.53 -24.37 34.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.106 -0.996 . . . . 1.0 110.631 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.3 tttt . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 117.979 -1.01 . . . . 1.0 110.203 -179.877 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.159 0.505 . . . . 1.0 110.199 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -49.26 -52.03 29.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.26 -0.9 . . . . 1.0 109.979 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.478 ' HA ' HD22 ' A' ' 3' ' ' LEU . 0.7 OUTLIER -51.07 -25.17 4.6 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 1.0 109.925 179.755 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 1.2 t-20 -69.42 -45.13 69.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.384 -0.822 . . . . 1.0 109.876 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 t -67.46 -39.66 85.33 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.186 -0.946 . . . . 1.0 109.746 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.61 -30.47 67.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 1.0 109.448 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.83 -46.25 10.12 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.514 -0.741 . . . . 1.0 109.773 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.525 ' O ' ' CB ' ' A' ' 12' ' ' SER . 3.3 t -49.51 -32.84 13.12 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.347 -0.846 . . . . 1.0 109.855 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 t -64.84 -27.71 69.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 1.0 109.649 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 10' ' ' LEU . 4.8 mt -79.68 -56.15 4.5 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.405 -0.809 . . . . 1.0 109.973 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.411 ' CD2' HG21 ' A' ' 18' ' ' THR . 0.5 OUTLIER -72.65 -42.63 64.17 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.882 . . . . 1.0 110.224 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.4 OUTLIER -82.41 8.83 10.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.368 -0.832 . . . . 1.0 110.027 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.81 -30.7 6.32 Favored Glycine 0 N--CA 1.486 2.021 0 N-CA-C 109.757 -1.337 . . . . 1.0 109.757 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.583 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 8.4 p-90 -106.86 -26.55 11.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.059 -1.26 . . . . 1.0 110.734 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -103.89 -24.27 13.29 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.055 -1.028 . . . . 1.0 110.564 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.79 24.41 0.57 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.083 -1.011 . . . . 1.0 109.003 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 15.7 t80 -133.18 -41.53 0.89 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.539 0.685 . . . . 1.0 110.183 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 17' ' ' PHE . 41.4 p -38.03 -41.59 0.58 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.794 -0.566 . . . . 1.0 111.012 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -52.52 -22.08 4.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.111 -0.993 . . . . 1.0 110.338 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.22 -44.29 86.75 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.611 -1.396 . . . . 1.0 109.611 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.52 80.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.344 -1.092 . . . . 1.0 110.296 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.89 -24.63 26.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.28 -0.888 . . . . 1.0 110.388 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.245 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 2' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.264 0.555 . . . . 1.0 110.234 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 1' ' ' ASP . 74.6 t80 -43.18 -44.39 5.11 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.187 -0.946 . . . . 1.0 110.17 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.47 -37.83 68.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.251 -0.905 . . . . 1.0 110.146 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.34 -41.84 89.02 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.261 -0.899 . . . . 1.0 109.858 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -41.76 60.89 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.302 -0.874 . . . . 1.0 109.764 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.75 -23.29 63.09 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.159 -0.963 . . . . 1.0 109.312 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.34 -48.79 6.7 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.43 -0.794 . . . . 1.0 109.86 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 12' ' ' SER . 29.5 t -59.35 -43.22 92.83 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.404 -0.918 . . . . 1.0 109.22 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.6 p -57.58 -23.56 51.43 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.323 -0.861 . . . . 1.0 109.475 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' A' ' 10' ' ' LEU . 1.4 mt -89.31 -59.84 2.11 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.333 -0.854 . . . . 1.0 110.531 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -43.34 18.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.065 -1.022 . . . . 1.0 110.128 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' A' ' 8' ' ' SER . 55.8 m -86.52 14.12 7.33 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.376 -0.828 . . . . 1.0 109.482 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.74 -47.11 1.21 Allowed Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.712 -1.355 . . . . 1.0 109.712 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.62 ' CZ2' ' HB2' ' A' ' 15' ' ' SER . 8.7 p-90 -76.0 -30.5 58.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.075 -1.25 . . . . 1.0 110.082 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.62 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 36.9 t -112.64 -26.05 8.82 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.239 -0.913 . . . . 1.0 110.083 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER 43.45 27.1 0.13 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.35 -0.844 . . . . 1.0 109.196 -179.401 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 20' ' ' GLY . 48.4 t80 -133.86 -42.28 0.83 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.547 -0.72 . . . . 1.0 110.21 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.453 HG23 ' H ' ' A' ' 18' ' ' THR . 42.7 p -41.54 -35.25 0.69 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.457 -0.777 . . . . 1.0 110.162 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 t -75.36 -33.05 61.04 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.905 . . . . 1.0 109.891 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -62.84 -29.83 75.28 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.34 -1.504 . . . . 1.0 109.34 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.96 -34.8 29.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.373 -1.075 . . . . 1.0 110.15 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 18' ' ' THR . 0.8 OUTLIER -75.59 -26.95 58.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.284 -0.885 . . . . 1.0 110.362 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 117.951 -1.023 . . . . 1.0 110.151 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 4' ' ' ASN . 3.9 t0 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.266 0.555 . . . . 1.0 110.12 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -48.48 -43.57 34.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.221 -0.925 . . . . 1.0 109.981 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -23.15 67.25 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.155 -0.965 . . . . 1.0 109.336 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 1' ' ' ASP . 3.7 t-20 -68.17 -39.65 82.49 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.434 -0.792 . . . . 1.0 109.763 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -70.17 -49.8 46.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.283 -0.886 . . . . 1.0 109.854 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.93 -23.74 33.6 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.188 -0.945 . . . . 1.0 109.516 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.452 ' HE3' ' HA ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -85.04 -45.37 12.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.41 -0.806 . . . . 1.0 110.036 179.822 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -49.28 -49.17 44.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.238 -0.914 . . . . 1.0 109.907 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 p -51.34 -27.09 8.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.281 -0.887 . . . . 1.0 109.375 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' A' ' 10' ' ' LEU . 6.0 mt -90.57 -62.31 1.49 Allowed 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.461 -0.774 . . . . 1.0 110.051 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.504 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -50.47 -57.15 8.7 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.394 -0.816 . . . . 1.0 110.525 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 31.2 t -77.58 4.93 10.09 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.339 -0.85 . . . . 1.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.49 -28.2 4.68 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 110.086 -1.206 . . . . 1.0 110.086 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.638 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 7.3 p-90 -97.51 -30.56 12.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.176 -1.191 . . . . 1.0 110.804 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.638 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 5.0 t -132.47 -35.11 1.16 Allowed 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.121 -0.987 . . . . 1.0 111.256 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 46.72 26.56 0.56 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.023 -1.048 . . . . 1.0 108.575 -178.828 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.44 ' HB3' ' OG ' ' A' ' 15' ' ' SER . 33.0 t80 -127.1 -40.12 1.87 Allowed 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 121.408 0.623 . . . . 1.0 110.186 -179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.1 p -48.42 -26.95 2.33 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.39 -0.818 . . . . 1.0 110.453 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.4 t -66.28 -30.65 71.12 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.161 -0.962 . . . . 1.0 110.303 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.05 -36.45 92.92 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.602 -1.399 . . . . 1.0 109.602 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.93 -38.17 72.88 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.213 -1.169 . . . . 1.0 110.363 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.81 -31.71 69.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.242 -0.911 . . . . 1.0 110.138 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.952 -1.023 . . . . 1.0 110.245 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.6 t0 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.226 0.536 . . . . 1.0 110.376 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -52.54 -43.14 64.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.144 -0.973 . . . . 1.0 110.289 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -25.72 64.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.127 -0.983 . . . . 1.0 109.432 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -69.53 -35.62 75.64 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.523 -0.735 . . . . 1.0 109.291 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -51.83 45.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.311 -0.868 . . . . 1.0 109.787 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.18 -25.02 58.3 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.188 -0.945 . . . . 1.0 109.427 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -85.37 -42.45 14.55 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.475 -0.765 . . . . 1.0 110.151 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 12' ' ' SER . 33.9 t -57.99 -45.29 87.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.293 -0.879 . . . . 1.0 109.927 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 t -67.21 -24.87 65.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.266 -0.896 . . . . 1.0 109.985 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -84.89 -42.39 15.08 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.297 -0.877 . . . . 1.0 110.665 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.64 -38.04 9.28 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 1.0 110.494 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -85.01 -1.58 56.98 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.318 -0.864 . . . . 1.0 110.184 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.29 -37.33 6.69 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.894 -1.283 . . . . 1.0 109.894 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.58 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 6.1 p-90 -85.62 -28.91 24.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.128 -1.219 . . . . 1.0 110.662 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.58 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -105.7 -28.33 10.77 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.218 -0.926 . . . . 1.0 110.217 179.744 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.7 24.45 0.55 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.311 -0.868 . . . . 1.0 109.25 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 10.4 t80 -134.96 -41.71 0.74 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.409 -0.807 . . . . 1.0 110.51 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' PHE . 75.2 p -40.68 -38.39 0.89 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.498 -0.751 . . . . 1.0 110.557 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' LYS . 1.8 t -56.44 -21.02 22.59 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.223 -0.923 . . . . 1.0 110.715 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.94 -51.15 47.53 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.584 -1.407 . . . . 1.0 109.584 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 -52.01 11.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.2 -1.176 . . . . 1.0 110.394 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.6 m -60.72 -25.22 66.27 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.234 -0.916 . . . . 1.0 110.204 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.46 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.162 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.286 0.565 . . . . 1.0 110.147 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -44.96 -42.06 7.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.283 -0.886 . . . . 1.0 110.117 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 7' ' ' MET . 4.0 mm? -59.18 -33.7 71.25 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.301 -0.874 . . . . 1.0 110.026 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -36.92 85.7 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.303 -0.873 . . . . 1.0 109.945 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -50.38 41.67 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.225 -0.922 . . . . 1.0 109.796 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.79 -26.59 62.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.185 -0.947 . . . . 1.0 109.263 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -88.29 -43.58 11.45 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.468 -0.77 . . . . 1.0 109.744 179.398 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 7' ' ' MET . 13.4 t -44.1 -38.76 3.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.266 -0.896 . . . . 1.0 109.668 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -29.57 70.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.272 -0.893 . . . . 1.0 109.514 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -81.38 -52.17 7.56 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.51 -0.744 . . . . 1.0 110.103 179.716 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.415 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -57.27 -38.68 74.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.174 -0.954 . . . . 1.0 109.68 179.756 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -92.1 1.43 57.21 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.569 -0.707 . . . . 1.0 109.795 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.28 -38.63 4.22 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.66 -1.376 . . . . 1.0 109.66 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.614 ' CD2' ' N ' ' A' ' 15' ' ' SER . 11.1 p-90 -77.96 -39.96 40.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.037 -1.272 . . . . 1.0 110.324 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.614 ' N ' ' CD2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -87.08 -31.93 20.22 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.188 -0.945 . . . . 1.0 110.165 179.718 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.78 24.33 0.56 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.226 -0.921 . . . . 1.0 109.079 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.524 ' O ' ' N ' ' A' ' 19' ' ' THR . 77.6 t80 -140.1 -42.47 0.42 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.563 -0.71 . . . . 1.0 110.504 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' PHE . 25.4 p -34.95 -30.86 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.313 0.578 . . . . 1.0 110.72 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 17' ' ' PHE . 20.3 p -42.76 -53.59 4.49 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.287 -0.883 . . . . 1.0 110.124 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.25 -23.09 2.68 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.485 -1.446 . . . . 1.0 109.485 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -99.09 -49.77 4.39 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.22 -1.165 . . . . 1.0 110.295 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.0 m -71.15 -28.05 63.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 1.0 110.26 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.285 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 121.309 0.576 . . . . 1.0 110.638 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' ASP . 10.0 t80 -43.21 -46.95 6.29 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.32 -0.863 . . . . 1.0 110.232 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' A' ' 3' ' ' LEU . 3.1 mm? -57.95 -29.54 65.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.261 -0.9 . . . . 1.0 110.15 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 1' ' ' ASP . 0.4 OUTLIER -69.81 -34.21 73.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.197 -0.939 . . . . 1.0 109.885 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -74.81 -46.19 38.4 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.304 -0.873 . . . . 1.0 109.626 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.33 -29.19 32.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.241 -0.912 . . . . 1.0 109.403 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.466 ' HE2' ' HB2' ' A' ' 11' ' ' TYR . 1.2 ttp -84.04 -48.52 9.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.474 -0.766 . . . . 1.0 109.725 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 12' ' ' SER . 1.1 p -52.2 -46.36 65.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.359 -0.838 . . . . 1.0 110.196 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -27.49 67.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.239 -0.913 . . . . 1.0 109.684 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.48 ' HA ' HD23 ' A' ' 10' ' ' LEU . 1.9 mt -90.17 -51.5 5.42 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.426 -0.796 . . . . 1.0 110.037 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.466 ' HB2' ' HE2' ' A' ' 7' ' ' MET . 0.2 OUTLIER -73.99 -48.23 31.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.31 -0.869 . . . . 1.0 110.147 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 8' ' ' SER . 1.7 m -80.83 6.91 11.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.356 -0.84 . . . . 1.0 110.005 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.13 -27.14 9.58 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 110.099 -1.2 . . . . 1.0 110.099 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.623 ' CZ2' ' HB2' ' A' ' 15' ' ' SER . 8.9 p-90 -102.39 -28.53 12.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.978 -1.307 . . . . 1.0 110.501 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.623 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 46.9 t -108.0 -25.89 10.94 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.19 -0.944 . . . . 1.0 110.17 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 45.1 25.46 0.17 Allowed 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.244 -0.91 . . . . 1.0 109.422 -179.483 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 18' ' ' THR . 3.5 t80 -132.64 -42.85 0.92 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.563 -0.71 . . . . 1.0 109.937 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 18' ' ' THR . 42.3 p -42.09 -34.91 0.8 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.469 -0.769 . . . . 1.0 110.145 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 t -52.52 -26.99 14.65 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 1.0 110.033 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.49 -41.85 99.75 Favored Glycine 0 N--CA 1.486 2.017 0 N-CA-C 109.517 -1.433 . . . . 1.0 109.517 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 -51.24 37.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.333 -1.098 . . . . 1.0 110.194 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -56.43 -31.48 63.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.244 -0.91 . . . . 1.0 110.105 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.228 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.348 0.594 . . . . 1.0 110.4 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -127.22 -60.64 1.19 Allowed 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.212 -0.93 . . . . 1.0 109.779 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.8 mm? -57.54 -23.87 52.83 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.533 -0.867 . . . . 1.0 108.876 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.53 -44.6 82.02 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.636 -0.665 . . . . 1.0 109.445 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -50.77 63.64 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.281 -0.887 . . . . 1.0 109.611 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.96 -27.93 34.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.251 -0.906 . . . . 1.0 109.441 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.527 ' HE3' ' HB2' ' A' ' 11' ' ' TYR . 3.3 mmm -89.7 -45.39 9.35 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.462 -0.773 . . . . 1.0 109.808 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.482 ' HA ' ' OG ' ' A' ' 12' ' ' SER . 30.4 t -49.3 -40.24 34.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.27 -0.894 . . . . 1.0 109.818 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -17.53 48.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.28 -0.887 . . . . 1.0 109.907 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.457 ' HA ' HD23 ' A' ' 10' ' ' LEU . 9.6 mt -104.72 -52.27 2.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.289 -0.882 . . . . 1.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.527 ' HB2' ' HE3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -74.61 -44.53 50.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.236 -0.915 . . . . 1.0 110.071 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.482 ' OG ' ' HA ' ' A' ' 8' ' ' SER . 1.2 m -72.7 -3.74 26.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.425 -0.797 . . . . 1.0 109.955 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.5 -43.32 7.42 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.539 -1.424 . . . . 1.0 109.539 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.616 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 21.0 p-90 -82.39 -29.19 30.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.136 -1.214 . . . . 1.0 110.59 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.616 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 1.2 t -117.55 -28.73 5.98 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.176 -0.952 . . . . 1.0 110.682 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.471 ' CA ' ' O ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 47.36 25.08 0.54 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.018 -1.051 . . . . 1.0 109.134 -179.371 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 20' ' ' GLY . 73.2 t80 -127.2 -44.39 1.59 Allowed 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.557 -0.714 . . . . 1.0 110.158 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 17' ' ' PHE . 41.1 p -42.4 -31.13 0.38 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 1.0 110.353 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 t -76.09 -29.02 57.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.378 -0.826 . . . . 1.0 110.364 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -56.2 -36.33 68.17 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.664 -1.374 . . . . 1.0 109.664 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.26 -52.4 10.07 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.332 -1.099 . . . . 1.0 110.421 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 m -60.94 -35.96 78.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.139 -0.975 . . . . 1.0 110.287 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.507 ' HB3' ' HB2' ' A' ' 4' ' ' ASN . 11.9 m-20 . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 121.359 0.6 . . . . 1.0 110.443 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.454 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 8.4 t80 -83.92 -65.61 0.99 Allowed 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.435 -0.791 . . . . 1.0 109.935 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.454 ' N ' ' CD2' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -50.04 -22.73 1.71 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.276 -0.89 . . . . 1.0 109.629 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 1' ' ' ASP . 3.6 m-20 -66.59 -39.81 88.59 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.484 -0.76 . . . . 1.0 109.642 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -69.46 -52.45 26.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.275 -0.89 . . . . 1.0 109.512 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.05 -32.94 16.75 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.253 -0.904 . . . . 1.0 109.385 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.4 ttp -80.01 -47.51 14.81 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.613 -0.679 . . . . 1.0 110.036 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -49.88 -41.01 44.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.338 -0.851 . . . . 1.0 109.863 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -56.5 -34.39 66.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.341 -0.849 . . . . 1.0 109.765 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -89.19 -52.69 4.93 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.405 -0.81 . . . . 1.0 110.236 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.72 -48.67 24.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 1.0 109.963 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -75.56 -3.4 34.03 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.399 -0.813 . . . . 1.0 109.778 179.602 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.71 -37.59 13.42 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.562 -1.415 . . . . 1.0 109.562 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.619 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 18.8 p-90 -91.73 -30.26 16.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.13 -1.218 . . . . 1.0 110.348 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.619 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -108.6 -27.18 10.0 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.296 -0.878 . . . . 1.0 110.327 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 12' ' ' SER . 0.3 OUTLIER 46.93 25.65 0.49 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.235 -0.916 . . . . 1.0 108.968 -179.269 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -135.93 -47.55 0.66 Allowed 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.628 -0.67 . . . . 1.0 110.188 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.465 HG23 ' OG ' ' A' ' 15' ' ' SER . 72.8 p -44.03 -41.33 5.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 1.0 110.389 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.469 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 14.3 t -57.8 -25.47 60.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.162 -0.961 . . . . 1.0 110.18 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' THR . . . -45.4 -54.98 7.07 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.618 -1.393 . . . . 1.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.9 -37.55 34.47 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.358 -1.084 . . . . 1.0 110.283 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.469 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 13.2 m -51.14 -31.6 20.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.162 -0.961 . . . . 1.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tttt . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 117.987 -1.006 . . . . 1.0 110.227 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.9 t0 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.218 0.532 . . . . 1.0 110.195 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -47.35 -47.33 25.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.294 -0.879 . . . . 1.0 110.263 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -54.64 -28.97 50.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.936 . . . . 1.0 109.753 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -62.92 -36.16 82.47 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.338 -0.851 . . . . 1.0 109.858 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -68.03 -54.4 18.68 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.286 -0.884 . . . . 1.0 109.861 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.03 -24.47 9.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.17 -0.956 . . . . 1.0 109.314 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.407 ' HE1' ' CG ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -79.27 -45.69 19.24 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.434 -0.791 . . . . 1.0 110.118 179.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 12' ' ' SER . 23.5 m -57.36 -34.84 69.23 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 1.0 109.801 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -15.77 63.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.364 -0.835 . . . . 1.0 109.997 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 10' ' ' LEU . 3.0 mt -102.42 -48.53 4.14 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.294 -0.879 . . . . 1.0 110.492 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.407 ' CG ' ' HE1' ' A' ' 7' ' ' MET . 2.3 m-85 -82.95 -39.45 21.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.196 -0.94 . . . . 1.0 110.654 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.1 OUTLIER -82.72 13.25 3.93 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.85 . . . . 1.0 110.334 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.33 -41.61 1.74 Allowed Glycine 0 N--CA 1.486 1.995 0 N-CA-C 109.916 -1.274 . . . . 1.0 109.916 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.643 ' CD2' ' N ' ' A' ' 15' ' ' SER . 17.6 p-90 -83.67 -41.91 17.23 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.201 -1.176 . . . . 1.0 110.676 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.643 ' N ' ' CD2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -81.96 -31.94 30.99 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.086 -1.009 . . . . 1.0 110.453 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t 52.14 20.92 1.43 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.083 -1.01 . . . . 1.0 109.382 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' THR . 22.0 t80 -135.01 -42.28 0.73 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.603 -0.685 . . . . 1.0 110.031 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.629 HG23 ' HB3' ' A' ' 15' ' ' SER . 50.8 p -40.92 -27.32 0.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.507 -0.745 . . . . 1.0 110.339 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 20' ' ' GLY . 8.8 t -50.42 -35.35 28.13 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.138 -0.976 . . . . 1.0 109.803 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.458 ' N ' HG23 ' A' ' 19' ' ' THR . . . -52.38 -44.45 58.51 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.162 -1.575 . . . . 1.0 109.162 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.48 -35.35 24.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.257 -1.143 . . . . 1.0 110.197 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 70.8 m -74.93 -19.83 59.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.311 -0.868 . . . . 1.0 110.304 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' THR . 2.9 mmmt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.388 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 2' ' ' PHE . 27.8 t70 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.335 0.588 . . . . 1.0 110.233 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' ASP . 10.9 t80 -43.55 -47.99 7.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.158 -0.964 . . . . 1.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.5 -38.39 71.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.297 -0.877 . . . . 1.0 109.904 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.49 -42.09 96.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.266 -0.896 . . . . 1.0 109.8 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -43.23 95.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.335 -0.853 . . . . 1.0 109.581 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.93 -31.25 68.5 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.311 -0.868 . . . . 1.0 109.315 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -41.35 26.08 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.459 -0.775 . . . . 1.0 109.774 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -48.21 -31.86 6.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.39 -0.819 . . . . 1.0 110.004 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -72.4 -14.59 61.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.361 -0.837 . . . . 1.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 10' ' ' LEU . 16.2 mt -98.37 -45.03 6.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.237 -0.914 . . . . 1.0 110.334 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -41.54 17.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 1.0 110.336 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.38 0.23 34.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.884 . . . . 1.0 110.244 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.99 -43.27 6.41 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 109.699 -1.361 . . . . 1.0 109.699 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.597 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 19.1 p-90 -87.59 -29.22 21.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -1.176 . . . . 1.0 110.545 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.597 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -99.38 -25.29 14.52 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.197 -0.939 . . . . 1.0 110.358 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t 48.94 23.62 0.73 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.185 -0.947 . . . . 1.0 109.243 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -133.82 -41.27 0.84 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.563 -0.71 . . . . 1.0 110.018 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.409 HG23 ' HB3' ' A' ' 15' ' ' SER . 74.8 p -43.94 -26.02 0.24 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.412 -0.805 . . . . 1.0 110.418 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.1 t -61.82 -22.26 65.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.92 . . . . 1.0 110.201 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.41 -42.66 97.55 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.554 -1.418 . . . . 1.0 109.554 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.14 23.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -1.132 . . . . 1.0 110.356 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 m -70.58 -34.47 72.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.18 -0.95 . . . . 1.0 110.186 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.244 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 4' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.165 0.507 . . . . 1.0 110.378 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' ASP . 35.6 t80 -43.34 -47.28 6.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.158 -0.964 . . . . 1.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -27.09 68.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 1.0 109.4 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 1' ' ' ASP . 11.2 t30 -70.95 -38.01 72.82 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.416 -0.803 . . . . 1.0 109.466 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -69.97 -46.85 64.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.355 -0.84 . . . . 1.0 109.806 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.29 -36.94 54.22 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.276 -0.89 . . . . 1.0 109.521 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.476 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.57 -46.85 52.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.457 -0.777 . . . . 1.0 109.871 179.39 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -42.82 -48.58 5.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.362 -0.836 . . . . 1.0 110.016 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 p -52.33 -26.27 11.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 1.0 109.891 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 7' ' ' MET . 5.4 mt -91.21 -44.3 9.31 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.358 -0.839 . . . . 1.0 110.167 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.413 ' CG ' ' HE1' ' A' ' 7' ' ' MET . 0.2 OUTLIER -72.79 -48.75 35.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.227 -0.921 . . . . 1.0 110.248 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.489 ' HB2' ' HB ' ' A' ' 19' ' ' THR . 0.1 OUTLIER -73.74 -5.74 42.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.331 -0.856 . . . . 1.0 110.0 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.26 -32.46 31.46 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.012 -1.235 . . . . 1.0 110.012 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.584 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 16.0 p-90 -104.37 -30.99 9.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.063 -1.257 . . . . 1.0 110.842 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.584 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -97.75 -29.08 13.58 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.071 -1.018 . . . . 1.0 110.45 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 53.28 19.81 1.68 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.107 -0.996 . . . . 1.0 109.34 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' THR . 17.5 t80 -134.91 -45.99 0.73 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.427 -0.796 . . . . 1.0 110.34 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.458 HG23 ' HB3' ' A' ' 15' ' ' SER . 61.4 p -41.19 -35.23 0.57 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.396 -0.815 . . . . 1.0 110.608 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.549 HG23 ' N ' ' A' ' 20' ' ' GLY . 5.1 t -48.58 -42.94 35.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.112 -0.992 . . . . 1.0 110.489 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.549 ' N ' HG23 ' A' ' 19' ' ' THR . . . -45.94 -45.66 14.2 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.463 -1.455 . . . . 1.0 109.463 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.8 -39.08 64.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.302 -1.116 . . . . 1.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -32.57 74.29 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.924 . . . . 1.0 110.345 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' OXT' ' CG ' ' A' ' 23' ' ' LYS . 2.5 tpmt? . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 118.026 -0.988 . . . . 1.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 35.5 t70 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.198 0.523 . . . . 1.0 110.29 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -48.87 -47.83 42.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.126 -0.984 . . . . 1.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -23.2 44.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 1.0 109.868 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 3.8 t-20 -68.15 -36.33 79.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.336 -0.853 . . . . 1.0 109.893 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -69.75 -49.04 56.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.248 -0.908 . . . . 1.0 109.873 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.73 -34.48 27.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.141 -0.975 . . . . 1.0 109.443 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.586 ' HE3' ' HB2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -84.57 -46.41 11.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.385 -0.822 . . . . 1.0 109.883 179.537 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 12' ' ' SER . 2.1 m -53.0 -27.96 21.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.438 -0.789 . . . . 1.0 110.141 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 t -73.61 -19.13 60.95 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.288 -0.883 . . . . 1.0 110.404 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 10' ' ' LEU . 5.4 mt -110.03 -38.68 5.25 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.293 -0.88 . . . . 1.0 110.387 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.615 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 1.1 m-85 -81.26 -39.15 25.74 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 1.0 110.197 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.5 OUTLIER -77.14 -8.1 56.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.322 -0.861 . . . . 1.0 110.053 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.19 -36.4 17.99 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.541 -1.423 . . . . 1.0 109.541 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.615 ' CD1' ' HA ' ' A' ' 11' ' ' TYR . 32.6 p-90 -88.26 -31.33 19.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.182 -1.187 . . . . 1.0 110.731 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.597 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 42.4 t -110.06 -28.53 8.65 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.137 -0.977 . . . . 1.0 110.627 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.36 23.98 0.41 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.091 -1.006 . . . . 1.0 109.318 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -125.16 -39.74 2.2 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.514 -0.741 . . . . 1.0 109.989 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.473 HG23 ' H ' ' A' ' 18' ' ' THR . 29.4 p -50.14 -20.16 0.94 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.609 -0.682 . . . . 1.0 110.615 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -67.72 -20.07 65.22 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.205 -0.934 . . . . 1.0 110.516 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.21 -43.9 98.47 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.949 -1.26 . . . . 1.0 109.949 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.22 -35.58 63.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.181 -1.188 . . . . 1.0 110.532 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.5 m -69.45 -35.46 75.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.162 -0.961 . . . . 1.0 110.355 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 118.049 -0.977 . . . . 1.0 110.142 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.318 0.58 . . . . 1.0 110.187 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -48.96 -50.72 34.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.231 -0.918 . . . . 1.0 110.137 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -34.95 41.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.123 -0.986 . . . . 1.0 109.547 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 0.7 OUTLIER -56.65 -33.65 66.56 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.253 -0.904 . . . . 1.0 109.705 179.613 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' ALA . 32.3 t -70.1 -57.16 5.28 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.253 -0.904 . . . . 1.0 109.518 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . . . -44.98 -30.4 1.02 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.128 -0.982 . . . . 1.0 109.237 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.1 ttp -74.78 -52.38 11.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.483 -0.761 . . . . 1.0 109.955 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.7 p -51.15 -45.14 61.58 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.253 -0.904 . . . . 1.0 109.91 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -20.1 65.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -0.913 . . . . 1.0 109.621 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 10' ' ' LEU . 3.0 mt -86.26 -48.96 8.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.464 -0.773 . . . . 1.0 109.893 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -45.82 60.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.319 -0.863 . . . . 1.0 110.015 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.1 m -84.91 12.36 7.64 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.387 -0.821 . . . . 1.0 110.116 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.78 -36.33 3.5 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.688 -1.365 . . . . 1.0 109.688 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.634 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 29.8 p-90 -83.65 -42.34 16.78 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.22 -1.164 . . . . 1.0 110.524 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.649 ' OG ' HG23 ' A' ' 18' ' ' THR . 1.0 OUTLIER -103.79 -37.48 7.44 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.213 -0.929 . . . . 1.0 110.58 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.9 OUTLIER 46.63 25.32 0.41 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.113 -0.992 . . . . 1.0 108.844 -179.165 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.401 ' N ' ' C ' ' A' ' 15' ' ' SER . 66.8 t80 -130.76 -43.46 1.1 Allowed 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.502 0.668 . . . . 1.0 110.039 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.649 HG23 ' OG ' ' A' ' 15' ' ' SER . 59.1 p -45.9 -30.26 1.68 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.382 -0.823 . . . . 1.0 110.18 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.521 HG23 ' N ' ' A' ' 20' ' ' GLY . 5.6 t -43.77 -38.87 3.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.281 -0.887 . . . . 1.0 109.767 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.521 ' N ' HG23 ' A' ' 19' ' ' THR . . . -60.76 -33.2 81.87 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 109.239 -1.544 . . . . 1.0 109.239 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -69.11 -36.78 77.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.301 -1.117 . . . . 1.0 109.94 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 m -82.77 -25.99 32.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.352 -0.843 . . . . 1.0 109.949 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 tttm . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.187 179.875 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.272 0.558 . . . . 1.0 110.186 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -46.25 -50.51 15.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.374 -0.829 . . . . 1.0 110.025 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -58.62 -28.95 66.11 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.285 -0.885 . . . . 1.0 109.889 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -37.55 79.54 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.234 -0.917 . . . . 1.0 109.623 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -69.23 -47.53 64.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.293 -0.88 . . . . 1.0 109.67 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.97 -30.67 59.64 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.207 -0.933 . . . . 1.0 109.385 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.532 ' O ' ' HE2' ' A' ' 7' ' ' MET . 0.0 OUTLIER -76.37 -45.85 30.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.46 -0.775 . . . . 1.0 109.84 179.587 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -41.89 -53.11 3.89 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.508 -0.745 . . . . 1.0 109.891 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.457 ' N ' ' OG ' ' A' ' 8' ' ' SER . 0.2 OUTLIER -49.91 -30.35 10.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.36 -0.837 . . . . 1.0 109.571 179.509 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 7' ' ' MET . 1.0 OUTLIER -82.98 -58.62 2.79 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.499 -0.751 . . . . 1.0 109.909 179.599 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.635 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -50.18 -30.4 11.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.271 -0.893 . . . . 1.0 109.845 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 t -98.36 3.86 48.57 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.364 -0.835 . . . . 1.0 110.049 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.63 -33.59 2.43 Favored Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.868 -1.293 . . . . 1.0 109.868 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.635 ' CD1' ' HA ' ' A' ' 11' ' ' TYR . 12.6 p-90 -79.9 -30.84 40.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.132 -1.216 . . . . 1.0 110.422 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.63 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 41.0 t -110.32 -28.52 8.55 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.219 -0.926 . . . . 1.0 110.248 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 44.28 26.14 0.15 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.273 -0.892 . . . . 1.0 109.255 -179.44 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' THR . 51.8 t80 -132.75 -43.47 0.9 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.552 -0.718 . . . . 1.0 110.291 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' PHE . 44.0 p -40.74 -35.07 0.44 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.536 -0.727 . . . . 1.0 110.414 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 20' ' ' GLY . 13.7 t -49.82 -32.95 15.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.161 -0.962 . . . . 1.0 110.081 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' HG23 ' A' ' 19' ' ' THR . . . -70.61 -37.48 68.03 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 109.466 -1.453 . . . . 1.0 109.466 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.21 -44.29 20.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.385 -1.068 . . . . 1.0 110.262 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.2 m -66.39 -30.56 70.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.213 -0.93 . . . . 1.0 110.203 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.994 -1.003 . . . . 1.0 110.289 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.2 t0 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.234 0.54 . . . . 1.0 110.141 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -46.71 -50.72 17.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.278 -0.889 . . . . 1.0 110.121 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -28.41 68.41 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.199 -0.938 . . . . 1.0 109.483 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.17 -35.29 77.81 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.461 -0.774 . . . . 1.0 109.647 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -73.39 -50.16 23.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.933 . . . . 1.0 109.561 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.12 -25.5 13.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.376 -0.827 . . . . 1.0 109.48 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.453 ' CE ' ' HB2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -78.25 -47.28 18.28 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.419 -0.8 . . . . 1.0 109.696 179.584 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 12' ' ' SER . 1.1 m -46.98 -48.24 21.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.435 -0.791 . . . . 1.0 110.388 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -62.1 -26.38 68.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.251 -0.906 . . . . 1.0 110.499 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 10' ' ' LEU . 3.8 mt -87.55 -40.89 13.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 1.0 110.565 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.453 ' HB2' ' CE ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -87.04 -41.99 13.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.928 . . . . 1.0 110.574 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 8' ' ' SER . 9.0 t -81.98 11.83 4.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.292 -0.88 . . . . 1.0 110.427 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.05 -41.86 1.88 Allowed Glycine 0 N--CA 1.487 2.052 0 N-CA-C 109.886 -1.285 . . . . 1.0 109.886 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.631 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 16.3 p-90 -79.35 -30.29 42.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.165 -1.197 . . . . 1.0 110.471 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.631 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -106.27 -29.31 9.88 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.225 -0.922 . . . . 1.0 110.468 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t 51.66 21.53 1.36 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.197 -0.939 . . . . 1.0 109.365 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -133.53 -44.42 0.83 Allowed 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.604 -0.685 . . . . 1.0 110.159 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' THR . 41.6 p -45.99 -31.37 2.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.439 -0.788 . . . . 1.0 110.631 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' THR . 5.1 t -42.84 -29.04 0.29 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.132 -0.98 . . . . 1.0 110.173 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.44 -32.97 85.98 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 109.694 -1.362 . . . . 1.0 109.694 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -87.86 -35.01 18.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -1.131 . . . . 1.0 110.407 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.3 m -70.99 -30.53 66.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.182 -0.949 . . . . 1.0 110.205 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 mttm . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 118.061 -0.971 . . . . 1.0 110.189 179.88 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 2' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.242 0.544 . . . . 1.0 110.144 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' ASP . 13.4 t80 -42.5 -42.48 3.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.835 . . . . 1.0 110.015 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.415 HD22 ' HD1' ' A' ' 2' ' ' PHE . 1.5 mm? -51.82 -37.86 53.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.35 -0.843 . . . . 1.0 110.092 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 0.8 OUTLIER -61.56 -40.54 95.08 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.263 -0.898 . . . . 1.0 109.85 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -68.97 -48.51 62.97 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.224 -0.923 . . . . 1.0 109.736 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.23 -31.86 15.07 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.291 -0.881 . . . . 1.0 109.725 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.587 ' HE3' ' HB2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -78.57 -47.48 17.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.841 . . . . 1.0 110.14 179.798 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -44.9 37.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.169 -0.957 . . . . 1.0 109.918 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -34.1 56.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.252 -0.905 . . . . 1.0 110.116 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.538 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 3.5 mm? -79.67 -46.81 16.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.292 -0.88 . . . . 1.0 110.372 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.587 ' HB2' ' HE3' ' A' ' 7' ' ' MET . 0.5 OUTLIER -71.22 -47.53 56.75 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.206 -0.933 . . . . 1.0 110.53 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -74.58 0.43 14.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.34 -0.85 . . . . 1.0 110.175 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.76 -49.64 3.78 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 110.05 -1.22 . . . . 1.0 110.05 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.619 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 25.4 p-90 -76.65 -37.81 55.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.026 -1.279 . . . . 1.0 110.581 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.619 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 1.1 t -113.75 -27.52 7.77 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.102 -0.999 . . . . 1.0 110.76 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 46.5 26.9 0.55 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.094 -1.004 . . . . 1.0 108.581 -179.075 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.428 ' HB3' ' OG ' ' A' ' 15' ' ' SER . 20.8 t80 -133.82 -38.53 0.89 Allowed 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.427 0.632 . . . . 1.0 109.899 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.0 p -52.98 -34.02 54.14 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.536 -0.727 . . . . 1.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 20' ' ' GLY . 8.8 t -52.67 -39.31 61.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.213 -0.93 . . . . 1.0 110.286 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.524 ' N ' HG23 ' A' ' 19' ' ' THR . . . -58.88 -27.04 61.43 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.756 -1.337 . . . . 1.0 109.756 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.52 -42.79 6.43 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.252 -1.146 . . . . 1.0 110.112 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -77.58 -30.2 52.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.266 -0.896 . . . . 1.0 109.843 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 118.05 -0.976 . . . . 1.0 110.599 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 11.1 t70 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.192 0.52 . . . . 1.0 110.277 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -49.27 -43.64 43.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 1.0 110.126 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -31.51 66.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 1.0 109.77 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 1.1 t-20 -63.59 -39.44 94.38 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.374 -0.829 . . . . 1.0 109.722 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -51.79 39.76 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.329 -0.857 . . . . 1.0 109.75 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.62 -24.1 7.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.321 -0.862 . . . . 1.0 109.443 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -85.35 -49.02 8.48 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.463 -0.773 . . . . 1.0 109.882 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 12' ' ' SER . 26.1 p -63.19 -28.54 70.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.301 -0.875 . . . . 1.0 109.911 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.4 p -77.03 -26.08 53.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.302 -0.874 . . . . 1.0 110.103 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' A' ' 10' ' ' LEU . 3.6 mt -95.73 -32.89 12.52 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.298 -0.876 . . . . 1.0 110.32 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.42 -43.19 8.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.241 -0.912 . . . . 1.0 110.186 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -89.24 16.09 7.9 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.352 -0.843 . . . . 1.0 109.987 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.42 -25.76 4.53 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 109.725 -1.35 . . . . 1.0 109.725 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 20.9 p-90 -90.94 -39.63 12.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.244 -1.151 . . . . 1.0 110.276 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.616 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -106.25 -29.95 9.49 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.203 -0.936 . . . . 1.0 110.58 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.02 24.86 0.68 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.133 -0.979 . . . . 1.0 109.05 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -128.45 -47.36 1.3 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.58 -0.7 . . . . 1.0 110.061 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.45 HG23 ' OG ' ' A' ' 15' ' ' SER . 35.1 p -47.94 -39.53 19.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 1.0 110.077 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 20' ' ' GLY . 4.0 t -45.62 -36.22 4.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.291 -0.88 . . . . 1.0 110.321 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.43 ' N ' HG23 ' A' ' 19' ' ' THR . . . -70.95 -21.19 78.2 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.702 -1.359 . . . . 1.0 109.702 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -104.98 -35.36 7.69 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.198 -1.178 . . . . 1.0 110.336 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.3 m -81.34 -28.63 34.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 1.0 110.114 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.431 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.229 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 14.7 t70 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.214 0.53 . . . . 1.0 110.15 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 2' ' ' PHE . 6.9 t80 -45.92 -45.16 15.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.184 -0.948 . . . . 1.0 109.937 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.478 ' HA ' HD13 ' A' ' 3' ' ' LEU . 3.0 mm? -58.27 -28.77 65.25 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.177 -0.952 . . . . 1.0 109.535 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 1.0 OUTLIER -61.02 -40.6 94.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.356 -0.84 . . . . 1.0 109.624 179.437 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -68.69 -51.67 39.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 1.0 109.746 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.55 -25.79 7.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.212 -0.93 . . . . 1.0 109.566 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -47.82 16.0 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.431 -0.793 . . . . 1.0 110.138 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.48 ' O ' ' HB3' ' A' ' 12' ' ' SER . 0.2 OUTLIER -49.7 -23.9 2.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.392 -0.818 . . . . 1.0 110.41 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 t -74.21 -27.26 60.71 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.232 -0.917 . . . . 1.0 110.461 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 10' ' ' LEU . 1.1 mt -91.54 -39.47 11.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.136 -0.978 . . . . 1.0 110.357 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -39.04 33.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.302 -0.873 . . . . 1.0 110.433 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.48 ' HB3' ' O ' ' A' ' 8' ' ' SER . 4.9 t -87.84 14.67 8.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.901 . . . . 1.0 110.544 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.27 -38.56 1.22 Allowed Glycine 0 N--CA 1.486 2.015 0 N-CA-C 109.932 -1.267 . . . . 1.0 109.932 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.609 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 20.9 p-90 -76.39 -37.51 57.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.238 -1.154 . . . . 1.0 110.703 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.609 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 17.2 t -119.01 -39.61 2.92 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.26 -0.9 . . . . 1.0 110.847 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.5 24.97 0.56 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.059 -1.025 . . . . 1.0 108.618 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 20' ' ' GLY . 58.5 t80 -120.97 -46.11 2.34 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.705 -0.622 . . . . 1.0 109.978 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.468 HG23 ' H ' ' A' ' 18' ' ' THR . 32.1 p -40.99 -33.66 0.34 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.61 -0.681 . . . . 1.0 110.147 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' LYS . 3.1 t -65.65 -30.71 71.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.353 -0.842 . . . . 1.0 110.193 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -68.15 -40.35 88.07 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 109.49 -1.444 . . . . 1.0 109.49 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.96 -45.67 48.77 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.274 -1.133 . . . . 1.0 110.137 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -80.91 -25.06 37.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.352 -0.843 . . . . 1.0 110.088 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.991 -1.004 . . . . 1.0 110.103 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.244 0.545 . . . . 1.0 110.213 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 2' ' ' PHE . 9.0 t80 -52.19 -44.9 64.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 1.0 110.218 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -28.49 69.19 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.268 -0.895 . . . . 1.0 109.851 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.72 -27.31 64.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 1.0 109.772 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -75.39 -49.53 18.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.391 -0.818 . . . . 1.0 110.059 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.34 -32.01 62.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.121 -0.987 . . . . 1.0 109.578 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.509 ' CE ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -79.73 -41.89 25.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.472 -0.768 . . . . 1.0 109.717 179.564 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -40.43 -44.63 2.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.645 -0.659 . . . . 1.0 110.252 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.6 -36.83 69.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.185 -0.947 . . . . 1.0 109.555 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.509 ' HB3' ' CE ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -79.7 -54.69 5.62 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.491 -0.755 . . . . 1.0 109.959 179.538 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 1.5 t80 -54.2 -32.05 54.68 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.309 -0.87 . . . . 1.0 110.513 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.1 m -93.3 1.28 57.05 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.231 -0.918 . . . . 1.0 110.669 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.55 -5.84 36.2 Favored Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.869 -1.157 . . . . 1.0 110.303 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.617 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 29.6 p-90 -108.92 -38.02 5.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.953 -1.322 . . . . 1.0 110.984 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.617 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 2.0 t -109.07 -31.9 7.44 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.161 -0.962 . . . . 1.0 110.869 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER 46.95 24.98 0.42 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.11 -0.994 . . . . 1.0 108.973 -179.156 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.438 ' HB3' ' OG ' ' A' ' 15' ' ' SER . 29.9 t80 -126.07 -43.7 1.8 Allowed 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.597 -0.689 . . . . 1.0 109.967 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.488 ' H ' HG23 ' A' ' 18' ' ' THR . 42.6 p -41.89 -39.42 1.82 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.419 -0.801 . . . . 1.0 110.224 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.554 HG23 ' N ' ' A' ' 20' ' ' GLY . 5.9 t -51.05 -42.51 60.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.238 -0.914 . . . . 1.0 110.068 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.554 ' N ' HG23 ' A' ' 19' ' ' THR . . . -63.86 -38.84 96.7 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.508 -1.437 . . . . 1.0 109.508 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.96 -9.82 50.0 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.261 -1.141 . . . . 1.0 110.331 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' THR . 72.9 m -100.41 -27.53 13.4 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.249 -0.907 . . . . 1.0 110.291 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.989 -1.005 . . . . 1.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.089 0.471 . . . . 1.0 110.353 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -58.24 -42.41 86.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.198 -0.939 . . . . 1.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 3' ' ' LEU . 2.7 mm? -52.27 -27.41 14.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 1.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 0.8 OUTLIER -63.37 -42.22 98.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.321 -0.862 . . . . 1.0 110.162 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -49.68 71.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 1.0 109.961 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.98 -28.71 64.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.126 -0.984 . . . . 1.0 109.594 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -81.89 -39.17 24.25 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.358 -0.839 . . . . 1.0 109.664 179.443 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 7' ' ' MET . 0.5 OUTLIER -43.18 -48.5 6.46 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.458 -0.776 . . . . 1.0 109.947 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -21.51 64.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 1.0 109.631 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 7' ' ' MET . 2.2 mt -84.23 -40.93 17.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.317 -0.864 . . . . 1.0 110.126 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.49 ' HB2' ' HE2' ' A' ' 7' ' ' MET . 0.1 OUTLIER -86.72 -17.79 32.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.218 -0.926 . . . . 1.0 110.306 -179.784 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.6 p -98.86 0.36 44.03 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.23 -0.919 . . . . 1.0 110.353 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.41 -36.23 4.69 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.927 -1.269 . . . . 1.0 109.927 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.622 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 23.4 p-90 -80.27 -43.47 21.28 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.044 -1.268 . . . . 1.0 110.865 -179.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.622 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -105.88 -38.22 6.42 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.124 -0.985 . . . . 1.0 110.586 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.4 OUTLIER 46.59 26.2 0.5 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.078 -1.014 . . . . 1.0 108.741 -179.073 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 20' ' ' GLY . 27.7 t80 -127.2 -48.76 1.45 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.695 -0.628 . . . . 1.0 110.774 -179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.471 HG23 ' OG ' ' A' ' 15' ' ' SER . 37.9 p -38.08 -33.03 0.08 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.457 -0.777 . . . . 1.0 110.731 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.531 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 9.3 t -85.79 -26.83 25.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.222 -0.924 . . . . 1.0 110.642 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -49.68 -49.83 32.92 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.205 -1.158 . . . . 1.0 110.205 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.75 -19.95 26.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.118 -1.225 . . . . 1.0 110.817 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.531 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 72.5 m -82.53 -24.37 34.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.106 -0.996 . . . . 1.0 110.631 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.3 tttt . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 117.979 -1.01 . . . . 1.0 110.203 -179.877 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.159 0.505 . . . . 1.0 110.199 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -49.26 -52.03 29.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.26 -0.9 . . . . 1.0 109.979 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -51.07 -25.17 4.6 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 1.0 109.925 179.755 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 1.2 t-20 -69.42 -45.13 69.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.384 -0.822 . . . . 1.0 109.876 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 t -67.46 -39.66 85.33 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.186 -0.946 . . . . 1.0 109.746 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.61 -30.47 67.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 1.0 109.448 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.83 -46.25 10.12 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.514 -0.741 . . . . 1.0 109.773 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.525 ' O ' ' CB ' ' A' ' 12' ' ' SER . 3.3 t -49.51 -32.84 13.12 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.347 -0.846 . . . . 1.0 109.855 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 t -64.84 -27.71 69.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 1.0 109.649 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 10' ' ' LEU . 4.8 mt -79.68 -56.15 4.5 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.405 -0.809 . . . . 1.0 109.973 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.411 ' CD2' HG21 ' A' ' 18' ' ' THR . 0.5 OUTLIER -72.65 -42.63 64.17 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.882 . . . . 1.0 110.224 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.4 OUTLIER -82.41 8.83 10.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.368 -0.832 . . . . 1.0 110.027 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.81 -30.7 6.32 Favored Glycine 0 N--CA 1.486 2.021 0 N-CA-C 109.757 -1.337 . . . . 1.0 109.757 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.583 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 8.4 p-90 -106.86 -26.55 11.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.059 -1.26 . . . . 1.0 110.734 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -103.89 -24.27 13.29 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.055 -1.028 . . . . 1.0 110.564 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.79 24.41 0.57 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.083 -1.011 . . . . 1.0 109.003 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 15.7 t80 -133.18 -41.53 0.89 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.539 0.685 . . . . 1.0 110.183 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 17' ' ' PHE . 41.4 p -38.03 -41.59 0.58 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.794 -0.566 . . . . 1.0 111.012 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -52.52 -22.08 4.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.111 -0.993 . . . . 1.0 110.338 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.22 -44.29 86.75 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.611 -1.396 . . . . 1.0 109.611 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.52 80.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.344 -1.092 . . . . 1.0 110.296 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.89 -24.63 26.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.28 -0.888 . . . . 1.0 110.388 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.245 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 2' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.264 0.555 . . . . 1.0 110.234 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 1' ' ' ASP . 74.6 t80 -43.18 -44.39 5.11 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.187 -0.946 . . . . 1.0 110.17 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.47 -37.83 68.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.251 -0.905 . . . . 1.0 110.146 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.34 -41.84 89.02 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.261 -0.899 . . . . 1.0 109.858 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -41.76 60.89 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.302 -0.874 . . . . 1.0 109.764 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.75 -23.29 63.09 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.159 -0.963 . . . . 1.0 109.312 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.34 -48.79 6.7 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.43 -0.794 . . . . 1.0 109.86 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 12' ' ' SER . 29.5 t -59.35 -43.22 92.83 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.404 -0.918 . . . . 1.0 109.22 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.6 p -57.58 -23.56 51.43 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.323 -0.861 . . . . 1.0 109.475 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 10' ' ' LEU . 1.4 mt -89.31 -59.84 2.11 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.333 -0.854 . . . . 1.0 110.531 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -43.34 18.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.065 -1.022 . . . . 1.0 110.128 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' A' ' 8' ' ' SER . 55.8 m -86.52 14.12 7.33 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.376 -0.828 . . . . 1.0 109.482 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.74 -47.11 1.21 Allowed Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.712 -1.355 . . . . 1.0 109.712 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.62 ' CZ2' ' HB2' ' A' ' 15' ' ' SER . 8.7 p-90 -76.0 -30.5 58.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.075 -1.25 . . . . 1.0 110.082 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.62 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 36.9 t -112.64 -26.05 8.82 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.239 -0.913 . . . . 1.0 110.083 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER 43.45 27.1 0.13 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.35 -0.844 . . . . 1.0 109.196 -179.401 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 20' ' ' GLY . 48.4 t80 -133.86 -42.28 0.83 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.547 -0.72 . . . . 1.0 110.21 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.453 HG23 ' H ' ' A' ' 18' ' ' THR . 42.7 p -41.54 -35.25 0.69 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.457 -0.777 . . . . 1.0 110.162 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 t -75.36 -33.05 61.04 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.905 . . . . 1.0 109.891 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -62.84 -29.83 75.28 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.34 -1.504 . . . . 1.0 109.34 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.96 -34.8 29.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.373 -1.075 . . . . 1.0 110.15 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 18' ' ' THR . 0.8 OUTLIER -75.59 -26.95 58.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.284 -0.885 . . . . 1.0 110.362 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 117.951 -1.023 . . . . 1.0 110.151 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 4' ' ' ASN . 3.9 t0 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.266 0.555 . . . . 1.0 110.12 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -48.48 -43.57 34.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.221 -0.925 . . . . 1.0 109.981 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -23.15 67.25 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.155 -0.965 . . . . 1.0 109.336 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 1' ' ' ASP . 3.7 t-20 -68.17 -39.65 82.49 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.434 -0.792 . . . . 1.0 109.763 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -70.17 -49.8 46.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.283 -0.886 . . . . 1.0 109.854 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.93 -23.74 33.6 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.188 -0.945 . . . . 1.0 109.516 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.452 ' HE3' ' HA ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -85.04 -45.37 12.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.41 -0.806 . . . . 1.0 110.036 179.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -49.28 -49.17 44.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.238 -0.914 . . . . 1.0 109.907 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 p -51.34 -27.09 8.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.281 -0.887 . . . . 1.0 109.375 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 10' ' ' LEU . 6.0 mt -90.57 -62.31 1.49 Allowed 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.461 -0.774 . . . . 1.0 110.051 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.504 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -50.47 -57.15 8.7 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.394 -0.816 . . . . 1.0 110.525 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 31.2 t -77.58 4.93 10.09 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.339 -0.85 . . . . 1.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.49 -28.2 4.68 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 110.086 -1.206 . . . . 1.0 110.086 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.638 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 7.3 p-90 -97.51 -30.56 12.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.176 -1.191 . . . . 1.0 110.804 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.638 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 5.0 t -132.47 -35.11 1.16 Allowed 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.121 -0.987 . . . . 1.0 111.256 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 46.72 26.56 0.56 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.023 -1.048 . . . . 1.0 108.575 -178.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.44 ' HB3' ' OG ' ' A' ' 15' ' ' SER . 33.0 t80 -127.1 -40.12 1.87 Allowed 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 121.408 0.623 . . . . 1.0 110.186 -179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.1 p -48.42 -26.95 2.33 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.39 -0.818 . . . . 1.0 110.453 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.4 t -66.28 -30.65 71.12 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.161 -0.962 . . . . 1.0 110.303 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.05 -36.45 92.92 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.602 -1.399 . . . . 1.0 109.602 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.93 -38.17 72.88 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.213 -1.169 . . . . 1.0 110.363 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.81 -31.71 69.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.242 -0.911 . . . . 1.0 110.138 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.952 -1.023 . . . . 1.0 110.245 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.6 t0 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.226 0.536 . . . . 1.0 110.376 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -52.54 -43.14 64.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.144 -0.973 . . . . 1.0 110.289 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -25.72 64.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.127 -0.983 . . . . 1.0 109.432 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -69.53 -35.62 75.64 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.523 -0.735 . . . . 1.0 109.291 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -51.83 45.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.311 -0.868 . . . . 1.0 109.787 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.18 -25.02 58.3 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.188 -0.945 . . . . 1.0 109.427 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -85.37 -42.45 14.55 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.475 -0.765 . . . . 1.0 110.151 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 12' ' ' SER . 33.9 t -57.99 -45.29 87.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.293 -0.879 . . . . 1.0 109.927 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 t -67.21 -24.87 65.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.266 -0.896 . . . . 1.0 109.985 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -84.89 -42.39 15.08 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.297 -0.877 . . . . 1.0 110.665 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.64 -38.04 9.28 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 1.0 110.494 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -85.01 -1.58 56.98 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.318 -0.864 . . . . 1.0 110.184 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.29 -37.33 6.69 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.894 -1.283 . . . . 1.0 109.894 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.58 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 6.1 p-90 -85.62 -28.91 24.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.128 -1.219 . . . . 1.0 110.662 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.58 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -105.7 -28.33 10.77 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.218 -0.926 . . . . 1.0 110.217 179.744 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.7 24.45 0.55 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.311 -0.868 . . . . 1.0 109.25 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 10.4 t80 -134.96 -41.71 0.74 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.409 -0.807 . . . . 1.0 110.51 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' PHE . 75.2 p -40.68 -38.39 0.89 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.498 -0.751 . . . . 1.0 110.557 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' LYS . 1.8 t -56.44 -21.02 22.59 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.223 -0.923 . . . . 1.0 110.715 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.94 -51.15 47.53 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.584 -1.407 . . . . 1.0 109.584 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 -52.01 11.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.2 -1.176 . . . . 1.0 110.394 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.6 m -60.72 -25.22 66.27 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.234 -0.916 . . . . 1.0 110.204 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.46 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.162 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.286 0.565 . . . . 1.0 110.147 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -44.96 -42.06 7.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.283 -0.886 . . . . 1.0 110.117 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 7' ' ' MET . 4.0 mm? -59.18 -33.7 71.25 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.301 -0.874 . . . . 1.0 110.026 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -36.92 85.7 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.303 -0.873 . . . . 1.0 109.945 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -50.38 41.67 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.225 -0.922 . . . . 1.0 109.796 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.79 -26.59 62.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.185 -0.947 . . . . 1.0 109.263 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -88.29 -43.58 11.45 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.468 -0.77 . . . . 1.0 109.744 179.398 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 7' ' ' MET . 13.4 t -44.1 -38.76 3.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.266 -0.896 . . . . 1.0 109.668 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -29.57 70.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.272 -0.893 . . . . 1.0 109.514 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -81.38 -52.17 7.56 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.51 -0.744 . . . . 1.0 110.103 179.716 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.415 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -57.27 -38.68 74.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.174 -0.954 . . . . 1.0 109.68 179.756 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -92.1 1.43 57.21 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.569 -0.707 . . . . 1.0 109.795 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.28 -38.63 4.22 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.66 -1.376 . . . . 1.0 109.66 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.614 ' CD2' ' N ' ' A' ' 15' ' ' SER . 11.1 p-90 -77.96 -39.96 40.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.037 -1.272 . . . . 1.0 110.324 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.614 ' N ' ' CD2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -87.08 -31.93 20.22 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.188 -0.945 . . . . 1.0 110.165 179.718 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.78 24.33 0.56 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.226 -0.921 . . . . 1.0 109.079 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.524 ' O ' ' N ' ' A' ' 19' ' ' THR . 77.6 t80 -140.1 -42.47 0.42 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.563 -0.71 . . . . 1.0 110.504 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' PHE . 25.4 p -34.95 -30.86 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.313 0.578 . . . . 1.0 110.72 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 17' ' ' PHE . 20.3 p -42.76 -53.59 4.49 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.287 -0.883 . . . . 1.0 110.124 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.25 -23.09 2.68 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.485 -1.446 . . . . 1.0 109.485 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -99.09 -49.77 4.39 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.22 -1.165 . . . . 1.0 110.295 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.0 m -71.15 -28.05 63.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 1.0 110.26 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.285 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 121.309 0.576 . . . . 1.0 110.638 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' ASP . 10.0 t80 -43.21 -46.95 6.29 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.32 -0.863 . . . . 1.0 110.232 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' A' ' 3' ' ' LEU . 3.1 mm? -57.95 -29.54 65.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.261 -0.9 . . . . 1.0 110.15 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 1' ' ' ASP . 0.4 OUTLIER -69.81 -34.21 73.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.197 -0.939 . . . . 1.0 109.885 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -74.81 -46.19 38.4 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.304 -0.873 . . . . 1.0 109.626 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.33 -29.19 32.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.241 -0.912 . . . . 1.0 109.403 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.466 ' HE2' ' HB2' ' A' ' 11' ' ' TYR . 1.2 ttp -84.04 -48.52 9.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.474 -0.766 . . . . 1.0 109.725 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 12' ' ' SER . 1.1 p -52.2 -46.36 65.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.359 -0.838 . . . . 1.0 110.196 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -27.49 67.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.239 -0.913 . . . . 1.0 109.684 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 10' ' ' LEU . 1.9 mt -90.17 -51.5 5.42 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.426 -0.796 . . . . 1.0 110.037 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.466 ' HB2' ' HE2' ' A' ' 7' ' ' MET . 0.2 OUTLIER -73.99 -48.23 31.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.31 -0.869 . . . . 1.0 110.147 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 8' ' ' SER . 1.7 m -80.83 6.91 11.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.356 -0.84 . . . . 1.0 110.005 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.13 -27.14 9.58 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 110.099 -1.2 . . . . 1.0 110.099 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.623 ' CZ2' ' HB2' ' A' ' 15' ' ' SER . 8.9 p-90 -102.39 -28.53 12.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.978 -1.307 . . . . 1.0 110.501 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.623 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 46.9 t -108.0 -25.89 10.94 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.19 -0.944 . . . . 1.0 110.17 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 45.1 25.46 0.17 Allowed 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.244 -0.91 . . . . 1.0 109.422 -179.483 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 18' ' ' THR . 3.5 t80 -132.64 -42.85 0.92 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.563 -0.71 . . . . 1.0 109.937 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 18' ' ' THR . 42.3 p -42.09 -34.91 0.8 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.469 -0.769 . . . . 1.0 110.145 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 t -52.52 -26.99 14.65 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 1.0 110.033 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.49 -41.85 99.75 Favored Glycine 0 N--CA 1.486 2.017 0 N-CA-C 109.517 -1.433 . . . . 1.0 109.517 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 -51.24 37.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.333 -1.098 . . . . 1.0 110.194 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -56.43 -31.48 63.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.244 -0.91 . . . . 1.0 110.105 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.228 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.348 0.594 . . . . 1.0 110.4 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -127.22 -60.64 1.19 Allowed 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.212 -0.93 . . . . 1.0 109.779 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.8 mm? -57.54 -23.87 52.83 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.533 -0.867 . . . . 1.0 108.876 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.53 -44.6 82.02 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.636 -0.665 . . . . 1.0 109.445 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -50.77 63.64 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.281 -0.887 . . . . 1.0 109.611 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.96 -27.93 34.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.251 -0.906 . . . . 1.0 109.441 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.527 ' HE3' ' HB2' ' A' ' 11' ' ' TYR . 3.3 mmm -89.7 -45.39 9.35 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.462 -0.773 . . . . 1.0 109.808 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.482 ' HA ' ' OG ' ' A' ' 12' ' ' SER . 30.4 t -49.3 -40.24 34.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.27 -0.894 . . . . 1.0 109.818 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -17.53 48.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.28 -0.887 . . . . 1.0 109.907 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 10' ' ' LEU . 9.6 mt -104.72 -52.27 2.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.289 -0.882 . . . . 1.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.527 ' HB2' ' HE3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -74.61 -44.53 50.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.236 -0.915 . . . . 1.0 110.071 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.482 ' OG ' ' HA ' ' A' ' 8' ' ' SER . 1.2 m -72.7 -3.74 26.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.425 -0.797 . . . . 1.0 109.955 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.5 -43.32 7.42 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.539 -1.424 . . . . 1.0 109.539 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.616 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 21.0 p-90 -82.39 -29.19 30.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.136 -1.214 . . . . 1.0 110.59 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.616 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 1.2 t -117.55 -28.73 5.98 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.176 -0.952 . . . . 1.0 110.682 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.471 ' CA ' ' O ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 47.36 25.08 0.54 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.018 -1.051 . . . . 1.0 109.134 -179.371 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 20' ' ' GLY . 73.2 t80 -127.2 -44.39 1.59 Allowed 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.557 -0.714 . . . . 1.0 110.158 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 17' ' ' PHE . 41.1 p -42.4 -31.13 0.38 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 1.0 110.353 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 t -76.09 -29.02 57.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.378 -0.826 . . . . 1.0 110.364 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -56.2 -36.33 68.17 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.664 -1.374 . . . . 1.0 109.664 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.26 -52.4 10.07 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.332 -1.099 . . . . 1.0 110.421 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 m -60.94 -35.96 78.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.139 -0.975 . . . . 1.0 110.287 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . 0.507 ' HB3' ' HB2' ' A' ' 4' ' ' ASN . 11.9 m-20 . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 121.359 0.6 . . . . 1.0 110.443 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.454 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 8.4 t80 -83.92 -65.61 0.99 Allowed 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.435 -0.791 . . . . 1.0 109.935 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.454 ' N ' ' CD2' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -50.04 -22.73 1.71 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.276 -0.89 . . . . 1.0 109.629 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 1' ' ' ASP . 3.6 m-20 -66.59 -39.81 88.59 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.484 -0.76 . . . . 1.0 109.642 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -69.46 -52.45 26.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.275 -0.89 . . . . 1.0 109.512 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.05 -32.94 16.75 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.253 -0.904 . . . . 1.0 109.385 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.4 ttp -80.01 -47.51 14.81 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.613 -0.679 . . . . 1.0 110.036 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -49.88 -41.01 44.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.338 -0.851 . . . . 1.0 109.863 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -56.5 -34.39 66.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.341 -0.849 . . . . 1.0 109.765 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -89.19 -52.69 4.93 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.405 -0.81 . . . . 1.0 110.236 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.72 -48.67 24.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 1.0 109.963 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -75.56 -3.4 34.03 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.399 -0.813 . . . . 1.0 109.778 179.602 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.71 -37.59 13.42 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.562 -1.415 . . . . 1.0 109.562 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.619 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 18.8 p-90 -91.73 -30.26 16.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.13 -1.218 . . . . 1.0 110.348 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.619 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -108.6 -27.18 10.0 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.296 -0.878 . . . . 1.0 110.327 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 12' ' ' SER . 0.3 OUTLIER 46.93 25.65 0.49 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.235 -0.916 . . . . 1.0 108.968 -179.269 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -135.93 -47.55 0.66 Allowed 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.628 -0.67 . . . . 1.0 110.188 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.465 HG23 ' OG ' ' A' ' 15' ' ' SER . 72.8 p -44.03 -41.33 5.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 1.0 110.389 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.469 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 14.3 t -57.8 -25.47 60.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.162 -0.961 . . . . 1.0 110.18 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' THR . . . -45.4 -54.98 7.07 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.618 -1.393 . . . . 1.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.9 -37.55 34.47 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.358 -1.084 . . . . 1.0 110.283 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.469 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 13.2 m -51.14 -31.6 20.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.162 -0.961 . . . . 1.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tttt . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 117.987 -1.006 . . . . 1.0 110.227 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.9 t0 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 121.218 0.532 . . . . 1.0 110.195 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -47.35 -47.33 25.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.294 -0.879 . . . . 1.0 110.263 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -54.64 -28.97 50.9 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.202 -0.936 . . . . 1.0 109.753 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -62.92 -36.16 82.47 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.338 -0.851 . . . . 1.0 109.858 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -68.03 -54.4 18.68 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.286 -0.884 . . . . 1.0 109.861 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.03 -24.47 9.82 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.17 -0.956 . . . . 1.0 109.314 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.407 ' HE1' ' CG ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -79.27 -45.69 19.24 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.434 -0.791 . . . . 1.0 110.118 179.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 12' ' ' SER . 23.5 m -57.36 -34.84 69.23 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 1.0 109.801 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -15.77 63.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.364 -0.835 . . . . 1.0 109.997 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' A' ' 10' ' ' LEU . 3.0 mt -102.42 -48.53 4.14 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.294 -0.879 . . . . 1.0 110.492 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.407 ' CG ' ' HE1' ' A' ' 7' ' ' MET . 2.3 m-85 -82.95 -39.45 21.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.196 -0.94 . . . . 1.0 110.654 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.413 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.1 OUTLIER -82.72 13.25 3.93 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.339 -0.85 . . . . 1.0 110.334 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.33 -41.61 1.74 Allowed Glycine 0 N--CA 1.486 1.995 0 N-CA-C 109.916 -1.274 . . . . 1.0 109.916 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.643 ' CD2' ' N ' ' A' ' 15' ' ' SER . 17.6 p-90 -83.67 -41.91 17.23 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.201 -1.176 . . . . 1.0 110.676 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.643 ' N ' ' CD2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -81.96 -31.94 30.99 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.086 -1.009 . . . . 1.0 110.453 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t 52.14 20.92 1.43 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.083 -1.01 . . . . 1.0 109.382 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' A' ' 19' ' ' THR . 22.0 t80 -135.01 -42.28 0.73 Allowed 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.603 -0.685 . . . . 1.0 110.031 -179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.629 HG23 ' HB3' ' A' ' 15' ' ' SER . 50.8 p -40.92 -27.32 0.06 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.507 -0.745 . . . . 1.0 110.339 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 20' ' ' GLY . 8.8 t -50.42 -35.35 28.13 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.138 -0.976 . . . . 1.0 109.803 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.458 ' N ' HG23 ' A' ' 19' ' ' THR . . . -52.38 -44.45 58.51 Favored Glycine 0 N--CA 1.488 2.122 0 N-CA-C 109.162 -1.575 . . . . 1.0 109.162 179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.48 -35.35 24.97 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.257 -1.143 . . . . 1.0 110.197 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 70.8 m -74.93 -19.83 59.95 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.311 -0.868 . . . . 1.0 110.304 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' THR . 2.9 mmmt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.388 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 2' ' ' PHE . 27.8 t70 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.335 0.588 . . . . 1.0 110.233 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' ASP . 10.9 t80 -43.55 -47.99 7.42 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.158 -0.964 . . . . 1.0 109.978 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -56.5 -38.39 71.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.297 -0.877 . . . . 1.0 109.904 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.49 -42.09 96.06 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.266 -0.896 . . . . 1.0 109.8 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -43.23 95.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.335 -0.853 . . . . 1.0 109.581 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.93 -31.25 68.5 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.311 -0.868 . . . . 1.0 109.315 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.98 -41.35 26.08 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.459 -0.775 . . . . 1.0 109.774 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.3 m -48.21 -31.86 6.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.39 -0.819 . . . . 1.0 110.004 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -72.4 -14.59 61.74 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.361 -0.837 . . . . 1.0 110.298 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 10' ' ' LEU . 16.2 mt -98.37 -45.03 6.3 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.237 -0.914 . . . . 1.0 110.334 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.68 -41.54 17.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.233 -0.917 . . . . 1.0 110.336 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.38 0.23 34.11 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.285 -0.884 . . . . 1.0 110.244 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.99 -43.27 6.41 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 109.699 -1.361 . . . . 1.0 109.699 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.597 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 19.1 p-90 -87.59 -29.22 21.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.201 -1.176 . . . . 1.0 110.545 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.597 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -99.38 -25.29 14.52 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.197 -0.939 . . . . 1.0 110.358 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t 48.94 23.62 0.73 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.185 -0.947 . . . . 1.0 109.243 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -133.82 -41.27 0.84 Allowed 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.563 -0.71 . . . . 1.0 110.018 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.409 HG23 ' HB3' ' A' ' 15' ' ' SER . 74.8 p -43.94 -26.02 0.24 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.412 -0.805 . . . . 1.0 110.418 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.411 ' O ' ' HB2' ' A' ' 23' ' ' LYS . 6.1 t -61.82 -22.26 65.32 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.229 -0.92 . . . . 1.0 110.201 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.41 -42.66 97.55 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.554 -1.418 . . . . 1.0 109.554 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.72 -33.14 23.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -1.132 . . . . 1.0 110.356 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.6 m -70.58 -34.47 72.22 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.18 -0.95 . . . . 1.0 110.186 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.244 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.517 ' O ' ' N ' ' A' ' 4' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.165 0.507 . . . . 1.0 110.378 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' ASP . 35.6 t80 -43.34 -47.28 6.73 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.158 -0.964 . . . . 1.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -27.09 68.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.185 -0.947 . . . . 1.0 109.4 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' A' ' 1' ' ' ASP . 11.2 t30 -70.95 -38.01 72.82 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.416 -0.803 . . . . 1.0 109.466 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 t -69.97 -46.85 64.34 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.355 -0.84 . . . . 1.0 109.806 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.29 -36.94 54.22 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.276 -0.89 . . . . 1.0 109.521 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.476 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -72.57 -46.85 52.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.457 -0.777 . . . . 1.0 109.871 179.39 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -42.82 -48.58 5.74 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.362 -0.836 . . . . 1.0 110.016 179.801 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 p -52.33 -26.27 11.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.231 -0.918 . . . . 1.0 109.891 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 7' ' ' MET . 5.4 mt -91.21 -44.3 9.31 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.358 -0.839 . . . . 1.0 110.167 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.413 ' CG ' ' HE1' ' A' ' 7' ' ' MET . 0.2 OUTLIER -72.79 -48.75 35.51 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.227 -0.921 . . . . 1.0 110.248 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.489 ' HB2' ' HB ' ' A' ' 19' ' ' THR . 0.1 OUTLIER -73.74 -5.74 42.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.331 -0.856 . . . . 1.0 110.0 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.26 -32.46 31.46 Favored Glycine 0 N--CA 1.489 2.181 0 N-CA-C 110.012 -1.235 . . . . 1.0 110.012 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.584 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 16.0 p-90 -104.37 -30.99 9.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.063 -1.257 . . . . 1.0 110.842 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.584 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -97.75 -29.08 13.58 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.071 -1.018 . . . . 1.0 110.45 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 53.28 19.81 1.68 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.107 -0.996 . . . . 1.0 109.34 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 18' ' ' THR . 17.5 t80 -134.91 -45.99 0.73 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.427 -0.796 . . . . 1.0 110.34 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.458 HG23 ' HB3' ' A' ' 15' ' ' SER . 61.4 p -41.19 -35.23 0.57 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.396 -0.815 . . . . 1.0 110.608 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.549 HG23 ' N ' ' A' ' 20' ' ' GLY . 5.1 t -48.58 -42.94 35.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.112 -0.992 . . . . 1.0 110.489 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.549 ' N ' HG23 ' A' ' 19' ' ' THR . . . -45.94 -45.66 14.2 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.463 -1.455 . . . . 1.0 109.463 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.8 -39.08 64.38 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.302 -1.116 . . . . 1.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.3 -32.57 74.29 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.924 . . . . 1.0 110.345 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' OXT' ' CG ' ' A' ' 23' ' ' LYS . 2.5 tpmt? . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 118.026 -0.988 . . . . 1.0 110.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 35.5 t70 . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 121.198 0.523 . . . . 1.0 110.29 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -48.87 -47.83 42.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.126 -0.984 . . . . 1.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.99 -23.2 44.26 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.222 -0.924 . . . . 1.0 109.868 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 3.8 t-20 -68.15 -36.33 79.5 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.336 -0.853 . . . . 1.0 109.893 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.3 t -69.75 -49.04 56.89 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.248 -0.908 . . . . 1.0 109.873 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.73 -34.48 27.15 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.141 -0.975 . . . . 1.0 109.443 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.586 ' HE3' ' HB2' ' A' ' 11' ' ' TYR . 0.1 OUTLIER -84.57 -46.41 11.59 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.385 -0.822 . . . . 1.0 109.883 179.537 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 12' ' ' SER . 2.1 m -53.0 -27.96 21.76 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.438 -0.789 . . . . 1.0 110.141 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 t -73.61 -19.13 60.95 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.288 -0.883 . . . . 1.0 110.404 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 10' ' ' LEU . 5.4 mt -110.03 -38.68 5.25 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.293 -0.88 . . . . 1.0 110.387 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.615 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 1.1 m-85 -81.26 -39.15 25.74 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 1.0 110.197 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.5 OUTLIER -77.14 -8.1 56.94 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.322 -0.861 . . . . 1.0 110.053 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.19 -36.4 17.99 Favored Glycine 0 N--CA 1.488 2.101 0 N-CA-C 109.541 -1.423 . . . . 1.0 109.541 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.615 ' CD1' ' HA ' ' A' ' 11' ' ' TYR . 32.6 p-90 -88.26 -31.33 19.07 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.182 -1.187 . . . . 1.0 110.731 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.597 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 42.4 t -110.06 -28.53 8.65 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.137 -0.977 . . . . 1.0 110.627 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.36 23.98 0.41 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.091 -1.006 . . . . 1.0 109.318 -179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -125.16 -39.74 2.2 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.514 -0.741 . . . . 1.0 109.989 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.473 HG23 ' H ' ' A' ' 18' ' ' THR . 29.4 p -50.14 -20.16 0.94 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.609 -0.682 . . . . 1.0 110.615 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -67.72 -20.07 65.22 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.205 -0.934 . . . . 1.0 110.516 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.21 -43.9 98.47 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.949 -1.26 . . . . 1.0 109.949 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.22 -35.58 63.88 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.181 -1.188 . . . . 1.0 110.532 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.5 m -69.45 -35.46 75.67 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.162 -0.961 . . . . 1.0 110.355 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 118.049 -0.977 . . . . 1.0 110.142 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.49 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.318 0.58 . . . . 1.0 110.187 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -48.96 -50.72 34.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.231 -0.918 . . . . 1.0 110.137 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.77 -34.95 41.88 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.123 -0.986 . . . . 1.0 109.547 179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.49 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 0.7 OUTLIER -56.65 -33.65 66.56 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.253 -0.904 . . . . 1.0 109.705 179.613 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' ALA . 32.3 t -70.1 -57.16 5.28 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.253 -0.904 . . . . 1.0 109.518 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . . . -44.98 -30.4 1.02 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.128 -0.982 . . . . 1.0 109.237 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.1 ttp -74.78 -52.38 11.62 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.483 -0.761 . . . . 1.0 109.955 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.7 p -51.15 -45.14 61.58 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.253 -0.904 . . . . 1.0 109.91 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -20.1 65.81 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -0.913 . . . . 1.0 109.621 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 10' ' ' LEU . 3.0 mt -86.26 -48.96 8.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.464 -0.773 . . . . 1.0 109.893 179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -45.82 60.08 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.319 -0.863 . . . . 1.0 110.015 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.1 m -84.91 12.36 7.64 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.387 -0.821 . . . . 1.0 110.116 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.78 -36.33 3.5 Favored Glycine 0 N--CA 1.487 2.072 0 N-CA-C 109.688 -1.365 . . . . 1.0 109.688 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.634 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 29.8 p-90 -83.65 -42.34 16.78 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.22 -1.164 . . . . 1.0 110.524 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.649 ' OG ' HG23 ' A' ' 18' ' ' THR . 1.0 OUTLIER -103.79 -37.48 7.44 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.213 -0.929 . . . . 1.0 110.58 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.9 OUTLIER 46.63 25.32 0.41 Allowed 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.113 -0.992 . . . . 1.0 108.844 -179.165 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.401 ' N ' ' C ' ' A' ' 15' ' ' SER . 66.8 t80 -130.76 -43.46 1.1 Allowed 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 121.502 0.668 . . . . 1.0 110.039 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.649 HG23 ' OG ' ' A' ' 15' ' ' SER . 59.1 p -45.9 -30.26 1.68 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.382 -0.823 . . . . 1.0 110.18 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.521 HG23 ' N ' ' A' ' 20' ' ' GLY . 5.6 t -43.77 -38.87 3.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.281 -0.887 . . . . 1.0 109.767 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.521 ' N ' HG23 ' A' ' 19' ' ' THR . . . -60.76 -33.2 81.87 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 109.239 -1.544 . . . . 1.0 109.239 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -69.11 -36.78 77.89 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.301 -1.117 . . . . 1.0 109.94 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 m -82.77 -25.99 32.26 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.352 -0.843 . . . . 1.0 109.949 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.3 tttm . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.032 -0.985 . . . . 1.0 110.187 179.875 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.272 0.558 . . . . 1.0 110.186 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -46.25 -50.51 15.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.374 -0.829 . . . . 1.0 110.025 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -58.62 -28.95 66.11 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.285 -0.885 . . . . 1.0 109.889 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.73 -37.55 79.54 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.234 -0.917 . . . . 1.0 109.623 179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 t -69.23 -47.53 64.47 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.293 -0.88 . . . . 1.0 109.67 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.97 -30.67 59.64 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.207 -0.933 . . . . 1.0 109.385 179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.532 ' O ' ' HE2' ' A' ' 7' ' ' MET . 0.0 OUTLIER -76.37 -45.85 30.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.46 -0.775 . . . . 1.0 109.84 179.587 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -41.89 -53.11 3.89 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.508 -0.745 . . . . 1.0 109.891 179.808 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.457 ' N ' ' OG ' ' A' ' 8' ' ' SER . 0.2 OUTLIER -49.91 -30.35 10.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.36 -0.837 . . . . 1.0 109.571 179.509 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.511 ' N ' ' O ' ' A' ' 7' ' ' MET . 1.0 OUTLIER -82.98 -58.62 2.79 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.499 -0.751 . . . . 1.0 109.909 179.599 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.635 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -50.18 -30.4 11.3 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.271 -0.893 . . . . 1.0 109.845 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.0 t -98.36 3.86 48.57 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.364 -0.835 . . . . 1.0 110.049 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.63 -33.59 2.43 Favored Glycine 0 N--CA 1.486 2.022 0 N-CA-C 109.868 -1.293 . . . . 1.0 109.868 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.635 ' CD1' ' HA ' ' A' ' 11' ' ' TYR . 12.6 p-90 -79.9 -30.84 40.19 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.132 -1.216 . . . . 1.0 110.422 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.63 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 41.0 t -110.32 -28.52 8.55 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.219 -0.926 . . . . 1.0 110.248 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 44.28 26.14 0.15 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.273 -0.892 . . . . 1.0 109.255 -179.44 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' THR . 51.8 t80 -132.75 -43.47 0.9 Allowed 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.552 -0.718 . . . . 1.0 110.291 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' PHE . 44.0 p -40.74 -35.07 0.44 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.536 -0.727 . . . . 1.0 110.414 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.404 HG23 ' N ' ' A' ' 20' ' ' GLY . 13.7 t -49.82 -32.95 15.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.161 -0.962 . . . . 1.0 110.081 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' HG23 ' A' ' 19' ' ' THR . . . -70.61 -37.48 68.03 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 109.466 -1.453 . . . . 1.0 109.466 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.21 -44.29 20.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.385 -1.068 . . . . 1.0 110.262 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.2 m -66.39 -30.56 70.97 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.213 -0.93 . . . . 1.0 110.203 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.9 ttpt . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 117.994 -1.003 . . . . 1.0 110.289 179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.2 t0 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.234 0.54 . . . . 1.0 110.141 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -46.71 -50.72 17.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.278 -0.889 . . . . 1.0 110.121 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -28.41 68.41 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.199 -0.938 . . . . 1.0 109.483 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.17 -35.29 77.81 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.461 -0.774 . . . . 1.0 109.647 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t -73.39 -50.16 23.29 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.208 -0.933 . . . . 1.0 109.561 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.12 -25.5 13.4 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.376 -0.827 . . . . 1.0 109.48 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.453 ' CE ' ' HB2' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -78.25 -47.28 18.28 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.419 -0.8 . . . . 1.0 109.696 179.584 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 12' ' ' SER . 1.1 m -46.98 -48.24 21.72 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.435 -0.791 . . . . 1.0 110.388 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -62.1 -26.38 68.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.251 -0.906 . . . . 1.0 110.499 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.488 HD23 ' HA ' ' A' ' 10' ' ' LEU . 3.8 mt -87.55 -40.89 13.87 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 1.0 110.565 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.453 ' HB2' ' CE ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -87.04 -41.99 13.43 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.216 -0.928 . . . . 1.0 110.574 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.434 ' HB3' ' O ' ' A' ' 8' ' ' SER . 9.0 t -81.98 11.83 4.72 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.292 -0.88 . . . . 1.0 110.427 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.05 -41.86 1.88 Allowed Glycine 0 N--CA 1.487 2.052 0 N-CA-C 109.886 -1.285 . . . . 1.0 109.886 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.631 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 16.3 p-90 -79.35 -30.29 42.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.165 -1.197 . . . . 1.0 110.471 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.631 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -106.27 -29.31 9.88 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.225 -0.922 . . . . 1.0 110.468 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.1 t 51.66 21.53 1.36 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.197 -0.939 . . . . 1.0 109.365 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -133.53 -44.42 0.83 Allowed 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.604 -0.685 . . . . 1.0 110.159 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 19' ' ' THR . 41.6 p -45.99 -31.37 2.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.439 -0.788 . . . . 1.0 110.631 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 18' ' ' THR . 5.1 t -42.84 -29.04 0.29 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.132 -0.98 . . . . 1.0 110.173 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.44 -32.97 85.98 Favored Glycine 0 N--CA 1.487 2.07 0 N-CA-C 109.694 -1.362 . . . . 1.0 109.694 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -87.86 -35.01 18.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.277 -1.131 . . . . 1.0 110.407 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.3 m -70.99 -30.53 66.81 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.182 -0.949 . . . . 1.0 110.205 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.3 mttm . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 118.061 -0.971 . . . . 1.0 110.189 179.88 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 2' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.242 0.544 . . . . 1.0 110.144 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' ASP . 13.4 t80 -42.5 -42.48 3.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.363 -0.835 . . . . 1.0 110.015 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.415 HD22 ' HD1' ' A' ' 2' ' ' PHE . 1.5 mm? -51.82 -37.86 53.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.35 -0.843 . . . . 1.0 110.092 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 0.8 OUTLIER -61.56 -40.54 95.08 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.263 -0.898 . . . . 1.0 109.85 179.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -68.97 -48.51 62.97 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.224 -0.923 . . . . 1.0 109.736 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.23 -31.86 15.07 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.291 -0.881 . . . . 1.0 109.725 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.587 ' HE3' ' HB2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -78.57 -47.48 17.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.355 -0.841 . . . . 1.0 110.14 179.798 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -48.56 -44.9 37.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.169 -0.957 . . . . 1.0 109.918 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.46 -34.1 56.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.252 -0.905 . . . . 1.0 110.116 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.538 ' N ' ' CD2' ' A' ' 10' ' ' LEU . 3.5 mm? -79.67 -46.81 16.45 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.292 -0.88 . . . . 1.0 110.372 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.587 ' HB2' ' HE3' ' A' ' 7' ' ' MET . 0.5 OUTLIER -71.22 -47.53 56.75 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.206 -0.933 . . . . 1.0 110.53 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -74.58 0.43 14.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.34 -0.85 . . . . 1.0 110.175 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.76 -49.64 3.78 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 110.05 -1.22 . . . . 1.0 110.05 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.619 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 25.4 p-90 -76.65 -37.81 55.64 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.026 -1.279 . . . . 1.0 110.581 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.619 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 1.1 t -113.75 -27.52 7.77 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.102 -0.999 . . . . 1.0 110.76 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 46.5 26.9 0.55 Allowed 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.094 -1.004 . . . . 1.0 108.581 -179.075 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.428 ' HB3' ' OG ' ' A' ' 15' ' ' SER . 20.8 t80 -133.82 -38.53 0.89 Allowed 'General case' 0 C--N 1.305 -1.355 0 CA-C-O 121.427 0.632 . . . . 1.0 109.899 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.0 p -52.98 -34.02 54.14 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.536 -0.727 . . . . 1.0 110.377 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 20' ' ' GLY . 8.8 t -52.67 -39.31 61.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.213 -0.93 . . . . 1.0 110.286 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.524 ' N ' HG23 ' A' ' 19' ' ' THR . . . -58.88 -27.04 61.43 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.756 -1.337 . . . . 1.0 109.756 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.52 -42.79 6.43 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.252 -1.146 . . . . 1.0 110.112 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -77.58 -30.2 52.41 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.266 -0.896 . . . . 1.0 109.843 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 118.05 -0.976 . . . . 1.0 110.599 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 11.1 t70 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.192 0.52 . . . . 1.0 110.277 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -49.27 -43.64 43.23 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.167 -0.958 . . . . 1.0 110.126 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.71 -31.51 66.48 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 1.0 109.77 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 1.1 t-20 -63.59 -39.44 94.38 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.374 -0.829 . . . . 1.0 109.722 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.45 -51.79 39.76 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.329 -0.857 . . . . 1.0 109.75 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.62 -24.1 7.77 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.321 -0.862 . . . . 1.0 109.443 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -85.35 -49.02 8.48 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.463 -0.773 . . . . 1.0 109.882 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 12' ' ' SER . 26.1 p -63.19 -28.54 70.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.301 -0.875 . . . . 1.0 109.911 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.4 p -77.03 -26.08 53.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.302 -0.874 . . . . 1.0 110.103 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.527 HD23 ' HA ' ' A' ' 10' ' ' LEU . 3.6 mt -95.73 -32.89 12.52 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.298 -0.876 . . . . 1.0 110.32 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -95.42 -43.19 8.11 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.241 -0.912 . . . . 1.0 110.186 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -89.24 16.09 7.9 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.352 -0.843 . . . . 1.0 109.987 179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -112.42 -25.76 4.53 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 109.725 -1.35 . . . . 1.0 109.725 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.616 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 20.9 p-90 -90.94 -39.63 12.15 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.244 -1.151 . . . . 1.0 110.276 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.616 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -106.25 -29.95 9.49 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.203 -0.936 . . . . 1.0 110.58 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 48.02 24.86 0.68 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.133 -0.979 . . . . 1.0 109.05 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -128.45 -47.36 1.3 Allowed 'General case' 0 C--N 1.306 -1.316 0 O-C-N 121.58 -0.7 . . . . 1.0 110.061 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.45 HG23 ' OG ' ' A' ' 15' ' ' SER . 35.1 p -47.94 -39.53 19.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.277 -0.889 . . . . 1.0 110.077 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 20' ' ' GLY . 4.0 t -45.62 -36.22 4.62 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.291 -0.88 . . . . 1.0 110.321 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.43 ' N ' HG23 ' A' ' 19' ' ' THR . . . -70.95 -21.19 78.2 Favored Glycine 0 N--CA 1.488 2.124 0 N-CA-C 109.702 -1.359 . . . . 1.0 109.702 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -104.98 -35.36 7.69 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.198 -1.178 . . . . 1.0 110.336 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.3 m -81.34 -28.63 34.43 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.215 -0.928 . . . . 1.0 110.114 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.431 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.229 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 14.7 t70 . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 121.214 0.53 . . . . 1.0 110.15 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.478 ' CD1' ' C ' ' A' ' 2' ' ' PHE . 6.9 t80 -45.92 -45.16 15.24 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.184 -0.948 . . . . 1.0 109.937 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.478 ' HA ' HD13 ' A' ' 3' ' ' LEU . 3.0 mm? -58.27 -28.77 65.25 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.177 -0.952 . . . . 1.0 109.535 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 1.0 OUTLIER -61.02 -40.6 94.17 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.356 -0.84 . . . . 1.0 109.624 179.437 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -68.69 -51.67 39.21 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.221 -0.924 . . . . 1.0 109.746 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.55 -25.79 7.39 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.212 -0.93 . . . . 1.0 109.566 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -47.82 16.0 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.431 -0.793 . . . . 1.0 110.138 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.48 ' O ' ' HB3' ' A' ' 12' ' ' SER . 0.2 OUTLIER -49.7 -23.9 2.0 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.392 -0.818 . . . . 1.0 110.41 -179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 t -74.21 -27.26 60.71 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.232 -0.917 . . . . 1.0 110.461 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' A' ' 10' ' ' LEU . 1.1 mt -91.54 -39.47 11.9 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.136 -0.978 . . . . 1.0 110.357 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -79.29 -39.04 33.91 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.302 -0.873 . . . . 1.0 110.433 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.48 ' HB3' ' O ' ' A' ' 8' ' ' SER . 4.9 t -87.84 14.67 8.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.901 . . . . 1.0 110.544 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.27 -38.56 1.22 Allowed Glycine 0 N--CA 1.486 2.015 0 N-CA-C 109.932 -1.267 . . . . 1.0 109.932 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.609 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 20.9 p-90 -76.39 -37.51 57.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.238 -1.154 . . . . 1.0 110.703 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.609 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 17.2 t -119.01 -39.61 2.92 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.26 -0.9 . . . . 1.0 110.847 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.5 24.97 0.56 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.059 -1.025 . . . . 1.0 108.618 -178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 20' ' ' GLY . 58.5 t80 -120.97 -46.11 2.34 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 121.705 -0.622 . . . . 1.0 109.978 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.468 HG23 ' H ' ' A' ' 18' ' ' THR . 32.1 p -40.99 -33.66 0.34 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.61 -0.681 . . . . 1.0 110.147 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' LYS . 3.1 t -65.65 -30.71 71.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.353 -0.842 . . . . 1.0 110.193 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -68.15 -40.35 88.07 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 109.49 -1.444 . . . . 1.0 109.49 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.96 -45.67 48.77 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.274 -1.133 . . . . 1.0 110.137 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.6 m -80.91 -25.06 37.78 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.352 -0.843 . . . . 1.0 110.088 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.991 -1.004 . . . . 1.0 110.103 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 121.244 0.545 . . . . 1.0 110.213 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 2' ' ' PHE . 9.0 t80 -52.19 -44.9 64.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.254 -0.904 . . . . 1.0 110.218 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -28.49 69.19 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.268 -0.895 . . . . 1.0 109.851 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -69.72 -27.31 64.86 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 1.0 109.772 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -75.39 -49.53 18.71 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.391 -0.818 . . . . 1.0 110.059 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.34 -32.01 62.18 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.121 -0.987 . . . . 1.0 109.578 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.509 ' CE ' ' HB3' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -79.73 -41.89 25.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.472 -0.768 . . . . 1.0 109.717 179.564 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' MET . 0.1 OUTLIER -40.43 -44.63 2.04 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.645 -0.659 . . . . 1.0 110.252 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.6 -36.83 69.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.185 -0.947 . . . . 1.0 109.555 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.509 ' HB3' ' CE ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -79.7 -54.69 5.62 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.491 -0.755 . . . . 1.0 109.959 179.538 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 1.5 t80 -54.2 -32.05 54.68 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.309 -0.87 . . . . 1.0 110.513 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.1 m -93.3 1.28 57.05 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.231 -0.918 . . . . 1.0 110.669 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -106.55 -5.84 36.2 Favored Glycine 0 N--CA 1.487 2.061 0 C-N-CA 119.869 -1.157 . . . . 1.0 110.303 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.617 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 29.6 p-90 -108.92 -38.02 5.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.953 -1.322 . . . . 1.0 110.984 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.617 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 2.0 t -109.07 -31.9 7.44 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.161 -0.962 . . . . 1.0 110.869 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.1 OUTLIER 46.95 24.98 0.42 Allowed 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.11 -0.994 . . . . 1.0 108.973 -179.156 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.438 ' HB3' ' OG ' ' A' ' 15' ' ' SER . 29.9 t80 -126.07 -43.7 1.8 Allowed 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.597 -0.689 . . . . 1.0 109.967 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.488 ' H ' HG23 ' A' ' 18' ' ' THR . 42.6 p -41.89 -39.42 1.82 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.419 -0.801 . . . . 1.0 110.224 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.554 HG23 ' N ' ' A' ' 20' ' ' GLY . 5.9 t -51.05 -42.51 60.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.238 -0.914 . . . . 1.0 110.068 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.554 ' N ' HG23 ' A' ' 19' ' ' THR . . . -63.86 -38.84 96.7 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 109.508 -1.437 . . . . 1.0 109.508 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.96 -9.82 50.0 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.261 -1.141 . . . . 1.0 110.331 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 18' ' ' THR . 72.9 m -100.41 -27.53 13.4 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.249 -0.907 . . . . 1.0 110.291 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 117.989 -1.005 . . . . 1.0 110.288 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.089 0.471 . . . . 1.0 110.353 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -58.24 -42.41 86.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.198 -0.939 . . . . 1.0 110.296 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 3' ' ' LEU . 2.7 mm? -52.27 -27.41 14.92 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.17 -0.956 . . . . 1.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 0.8 OUTLIER -63.37 -42.22 98.85 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.321 -0.862 . . . . 1.0 110.162 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -49.68 71.67 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 1.0 109.961 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.98 -28.71 64.62 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.126 -0.984 . . . . 1.0 109.594 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.519 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -81.89 -39.17 24.25 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.358 -0.839 . . . . 1.0 109.664 179.443 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 7' ' ' MET . 0.5 OUTLIER -43.18 -48.5 6.46 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.458 -0.776 . . . . 1.0 109.947 179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -21.51 64.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.264 -0.898 . . . . 1.0 109.631 179.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 7' ' ' MET . 2.2 mt -84.23 -40.93 17.47 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.317 -0.864 . . . . 1.0 110.126 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.49 ' HB2' ' HE2' ' A' ' 7' ' ' MET . 0.1 OUTLIER -86.72 -17.79 32.79 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.218 -0.926 . . . . 1.0 110.306 -179.784 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.6 p -98.86 0.36 44.03 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.23 -0.919 . . . . 1.0 110.353 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.41 -36.23 4.69 Favored Glycine 0 N--CA 1.486 2.01 0 N-CA-C 109.927 -1.269 . . . . 1.0 109.927 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.622 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 23.4 p-90 -80.27 -43.47 21.28 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.044 -1.268 . . . . 1.0 110.865 -179.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.622 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -105.88 -38.22 6.42 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.124 -0.985 . . . . 1.0 110.586 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.4 OUTLIER 46.59 26.2 0.5 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.078 -1.014 . . . . 1.0 108.741 -179.073 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 20' ' ' GLY . 27.7 t80 -127.2 -48.76 1.45 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.695 -0.628 . . . . 1.0 110.774 -179.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.471 HG23 ' OG ' ' A' ' 15' ' ' SER . 37.9 p -38.08 -33.03 0.08 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.457 -0.777 . . . . 1.0 110.731 -179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.531 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 9.3 t -85.79 -26.83 25.55 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.222 -0.924 . . . . 1.0 110.642 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -49.68 -49.83 32.92 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 110.205 -1.158 . . . . 1.0 110.205 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.75 -19.95 26.85 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.118 -1.225 . . . . 1.0 110.817 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.531 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 72.5 m -82.53 -24.37 34.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.106 -0.996 . . . . 1.0 110.631 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.3 tttt . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 117.979 -1.01 . . . . 1.0 110.203 -179.877 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 4' ' ' ASN . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.159 0.505 . . . . 1.0 110.199 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -49.26 -52.03 29.9 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.26 -0.9 . . . . 1.0 109.979 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -51.07 -25.17 4.6 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.277 -0.889 . . . . 1.0 109.925 179.755 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 1' ' ' ASP . 1.2 t-20 -69.42 -45.13 69.89 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.384 -0.822 . . . . 1.0 109.876 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 t -67.46 -39.66 85.33 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.186 -0.946 . . . . 1.0 109.746 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.61 -30.47 67.27 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 1.0 109.448 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.83 -46.25 10.12 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.514 -0.741 . . . . 1.0 109.773 179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.525 ' O ' ' CB ' ' A' ' 12' ' ' SER . 3.3 t -49.51 -32.84 13.12 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.347 -0.846 . . . . 1.0 109.855 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.8 t -64.84 -27.71 69.06 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.228 -0.92 . . . . 1.0 109.649 179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 10' ' ' LEU . 4.8 mt -79.68 -56.15 4.5 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.405 -0.809 . . . . 1.0 109.973 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.411 ' CD2' HG21 ' A' ' 18' ' ' THR . 0.5 OUTLIER -72.65 -42.63 64.17 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.882 . . . . 1.0 110.224 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.525 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.4 OUTLIER -82.41 8.83 10.42 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.368 -0.832 . . . . 1.0 110.027 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.81 -30.7 6.32 Favored Glycine 0 N--CA 1.486 2.021 0 N-CA-C 109.757 -1.337 . . . . 1.0 109.757 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.583 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 8.4 p-90 -106.86 -26.55 11.19 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.059 -1.26 . . . . 1.0 110.734 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.583 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -103.89 -24.27 13.29 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.055 -1.028 . . . . 1.0 110.564 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.79 24.41 0.57 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.083 -1.011 . . . . 1.0 109.003 -179.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 15.7 t80 -133.18 -41.53 0.89 Allowed 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.539 0.685 . . . . 1.0 110.183 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 17' ' ' PHE . 41.4 p -38.03 -41.59 0.58 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.794 -0.566 . . . . 1.0 111.012 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 t -52.52 -22.08 4.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.111 -0.993 . . . . 1.0 110.338 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.22 -44.29 86.75 Favored Glycine 0 N--CA 1.487 2.088 0 N-CA-C 109.611 -1.396 . . . . 1.0 109.611 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.52 80.43 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.344 -1.092 . . . . 1.0 110.296 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.89 -24.63 26.58 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.28 -0.888 . . . . 1.0 110.388 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 117.944 -1.027 . . . . 1.0 110.245 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 2' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.264 0.555 . . . . 1.0 110.234 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.429 ' C ' ' O ' ' A' ' 1' ' ' ASP . 74.6 t80 -43.18 -44.39 5.11 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.187 -0.946 . . . . 1.0 110.17 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.47 -37.83 68.29 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.251 -0.905 . . . . 1.0 110.146 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.34 -41.84 89.02 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.261 -0.899 . . . . 1.0 109.858 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -41.76 60.89 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.302 -0.874 . . . . 1.0 109.764 179.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.75 -23.29 63.09 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.159 -0.963 . . . . 1.0 109.312 179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.34 -48.79 6.7 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.43 -0.794 . . . . 1.0 109.86 179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 12' ' ' SER . 29.5 t -59.35 -43.22 92.83 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.404 -0.918 . . . . 1.0 109.22 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.6 p -57.58 -23.56 51.43 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.323 -0.861 . . . . 1.0 109.475 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 10' ' ' LEU . 1.4 mt -89.31 -59.84 2.11 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.333 -0.854 . . . . 1.0 110.531 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -43.34 18.89 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.065 -1.022 . . . . 1.0 110.128 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.467 ' HB2' ' O ' ' A' ' 8' ' ' SER . 55.8 m -86.52 14.12 7.33 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.376 -0.828 . . . . 1.0 109.482 179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -104.74 -47.11 1.21 Allowed Glycine 0 N--CA 1.487 2.044 0 N-CA-C 109.712 -1.355 . . . . 1.0 109.712 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.62 ' CZ2' ' HB2' ' A' ' 15' ' ' SER . 8.7 p-90 -76.0 -30.5 58.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.075 -1.25 . . . . 1.0 110.082 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.62 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 36.9 t -112.64 -26.05 8.82 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.239 -0.913 . . . . 1.0 110.083 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.3 OUTLIER 43.45 27.1 0.13 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.35 -0.844 . . . . 1.0 109.196 -179.401 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 20' ' ' GLY . 48.4 t80 -133.86 -42.28 0.83 Allowed 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.547 -0.72 . . . . 1.0 110.21 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.453 HG23 ' H ' ' A' ' 18' ' ' THR . 42.7 p -41.54 -35.25 0.69 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.457 -0.777 . . . . 1.0 110.162 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.4 t -75.36 -33.05 61.04 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.905 . . . . 1.0 109.891 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -62.84 -29.83 75.28 Favored Glycine 0 N--CA 1.486 2.028 0 N-CA-C 109.34 -1.504 . . . . 1.0 109.34 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.96 -34.8 29.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.373 -1.075 . . . . 1.0 110.15 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 18' ' ' THR . 0.8 OUTLIER -75.59 -26.95 58.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.284 -0.885 . . . . 1.0 110.362 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 117.951 -1.023 . . . . 1.0 110.151 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 4' ' ' ASN . 3.9 t0 . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.266 0.555 . . . . 1.0 110.12 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -48.48 -43.57 34.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.221 -0.925 . . . . 1.0 109.981 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.72 -23.15 67.25 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.155 -0.965 . . . . 1.0 109.336 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 1' ' ' ASP . 3.7 t-20 -68.17 -39.65 82.49 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.434 -0.792 . . . . 1.0 109.763 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -70.17 -49.8 46.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.283 -0.886 . . . . 1.0 109.854 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.93 -23.74 33.6 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.188 -0.945 . . . . 1.0 109.516 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.452 ' HE3' ' HA ' ' A' ' 7' ' ' MET . 0.0 OUTLIER -85.04 -45.37 12.19 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.41 -0.806 . . . . 1.0 110.036 179.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -49.28 -49.17 44.77 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.238 -0.914 . . . . 1.0 109.907 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 p -51.34 -27.09 8.78 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.281 -0.887 . . . . 1.0 109.375 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 10' ' ' LEU . 6.0 mt -90.57 -62.31 1.49 Allowed 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.461 -0.774 . . . . 1.0 110.051 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.504 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -50.47 -57.15 8.7 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.394 -0.816 . . . . 1.0 110.525 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 16' ' ' SER . 31.2 t -77.58 4.93 10.09 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.339 -0.85 . . . . 1.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.49 -28.2 4.68 Favored Glycine 0 N--CA 1.486 1.971 0 N-CA-C 110.086 -1.206 . . . . 1.0 110.086 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.638 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 7.3 p-90 -97.51 -30.56 12.81 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.176 -1.191 . . . . 1.0 110.804 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.638 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 5.0 t -132.47 -35.11 1.16 Allowed 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.121 -0.987 . . . . 1.0 111.256 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 46.72 26.56 0.56 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.023 -1.048 . . . . 1.0 108.575 -178.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.44 ' HB3' ' OG ' ' A' ' 15' ' ' SER . 33.0 t80 -127.1 -40.12 1.87 Allowed 'General case' 0 C--N 1.304 -1.389 0 CA-C-O 121.408 0.623 . . . . 1.0 110.186 -179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 69.1 p -48.42 -26.95 2.33 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.39 -0.818 . . . . 1.0 110.453 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.4 t -66.28 -30.65 71.12 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.161 -0.962 . . . . 1.0 110.303 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.05 -36.45 92.92 Favored Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.602 -1.399 . . . . 1.0 109.602 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.93 -38.17 72.88 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.213 -1.169 . . . . 1.0 110.363 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.81 -31.71 69.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.242 -0.911 . . . . 1.0 110.138 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 117.952 -1.023 . . . . 1.0 110.245 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.6 t0 . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.226 0.536 . . . . 1.0 110.376 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -52.54 -43.14 64.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.144 -0.973 . . . . 1.0 110.289 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.31 -25.72 64.36 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.127 -0.983 . . . . 1.0 109.432 179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -69.53 -35.62 75.64 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.523 -0.735 . . . . 1.0 109.291 179.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -51.83 45.61 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.311 -0.868 . . . . 1.0 109.787 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.18 -25.02 58.3 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.188 -0.945 . . . . 1.0 109.427 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -85.37 -42.45 14.55 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.475 -0.765 . . . . 1.0 110.151 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.514 ' O ' ' CB ' ' A' ' 12' ' ' SER . 33.9 t -57.99 -45.29 87.03 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.293 -0.879 . . . . 1.0 109.927 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 t -67.21 -24.87 65.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.266 -0.896 . . . . 1.0 109.985 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -84.89 -42.39 15.08 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.297 -0.877 . . . . 1.0 110.665 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -98.64 -38.04 9.28 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 1.0 110.494 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -85.01 -1.58 56.98 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.318 -0.864 . . . . 1.0 110.184 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.29 -37.33 6.69 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 109.894 -1.283 . . . . 1.0 109.894 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.58 ' CE2' ' HB2' ' A' ' 15' ' ' SER . 6.1 p-90 -85.62 -28.91 24.48 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.128 -1.219 . . . . 1.0 110.662 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.58 ' HB2' ' CE2' ' A' ' 14' ' ' TRP . 0.1 OUTLIER -105.7 -28.33 10.77 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.218 -0.926 . . . . 1.0 110.217 179.744 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.7 24.45 0.55 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.311 -0.868 . . . . 1.0 109.25 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.455 ' CD1' ' C ' ' A' ' 17' ' ' PHE . 10.4 t80 -134.96 -41.71 0.74 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.409 -0.807 . . . . 1.0 110.51 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' PHE . 75.2 p -40.68 -38.39 0.89 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.498 -0.751 . . . . 1.0 110.557 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 23' ' ' LYS . 1.8 t -56.44 -21.02 22.59 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.223 -0.923 . . . . 1.0 110.715 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -52.94 -51.15 47.53 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.584 -1.407 . . . . 1.0 109.584 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.8 -52.01 11.33 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.2 -1.176 . . . . 1.0 110.394 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.6 m -60.72 -25.22 66.27 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.234 -0.916 . . . . 1.0 110.204 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.46 ' O ' ' HD3' ' A' ' 23' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.162 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 121.286 0.565 . . . . 1.0 110.147 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -44.96 -42.06 7.86 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.283 -0.886 . . . . 1.0 110.117 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 7' ' ' MET . 4.0 mm? -59.18 -33.7 71.25 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.301 -0.874 . . . . 1.0 110.026 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.35 -36.92 85.7 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.303 -0.873 . . . . 1.0 109.945 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -50.38 41.67 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.225 -0.922 . . . . 1.0 109.796 179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.79 -26.59 62.13 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.185 -0.947 . . . . 1.0 109.263 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -88.29 -43.58 11.45 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.468 -0.77 . . . . 1.0 109.744 179.398 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 7' ' ' MET . 13.4 t -44.1 -38.76 3.82 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.266 -0.896 . . . . 1.0 109.668 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.65 -29.57 70.16 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.272 -0.893 . . . . 1.0 109.514 179.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' MET . 0.6 OUTLIER -81.38 -52.17 7.56 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.51 -0.744 . . . . 1.0 110.103 179.716 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.415 ' HA ' ' CD1' ' A' ' 14' ' ' TRP . 0.0 OUTLIER -57.27 -38.68 74.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.174 -0.954 . . . . 1.0 109.68 179.756 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.7 t -92.1 1.43 57.21 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.569 -0.707 . . . . 1.0 109.795 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.28 -38.63 4.22 Favored Glycine 0 N--CA 1.487 2.067 0 N-CA-C 109.66 -1.376 . . . . 1.0 109.66 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.614 ' CD2' ' N ' ' A' ' 15' ' ' SER . 11.1 p-90 -77.96 -39.96 40.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.037 -1.272 . . . . 1.0 110.324 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.614 ' N ' ' CD2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -87.08 -31.93 20.22 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.188 -0.945 . . . . 1.0 110.165 179.718 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.78 24.33 0.56 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.226 -0.921 . . . . 1.0 109.079 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.524 ' O ' ' N ' ' A' ' 19' ' ' THR . 77.6 t80 -140.1 -42.47 0.42 Allowed 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.563 -0.71 . . . . 1.0 110.504 -179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 17' ' ' PHE . 25.4 p -34.95 -30.86 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.936 0 CA-C-O 121.313 0.578 . . . . 1.0 110.72 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.524 ' N ' ' O ' ' A' ' 17' ' ' PHE . 20.3 p -42.76 -53.59 4.49 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.287 -0.883 . . . . 1.0 110.124 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -48.25 -23.09 2.68 Favored Glycine 0 N--CA 1.489 2.187 0 N-CA-C 109.485 -1.446 . . . . 1.0 109.485 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' THR . . . -99.09 -49.77 4.39 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.22 -1.165 . . . . 1.0 110.295 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.0 m -71.15 -28.05 63.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.255 -0.903 . . . . 1.0 110.26 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 19' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.285 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 4' ' ' ASN . 1.2 p-10 . . . . . 0 N--CA 1.484 1.273 0 CA-C-O 121.309 0.576 . . . . 1.0 110.638 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' ASP . 10.0 t80 -43.21 -46.95 6.29 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.32 -0.863 . . . . 1.0 110.232 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.483 ' HA ' HD13 ' A' ' 3' ' ' LEU . 3.1 mm? -57.95 -29.54 65.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.261 -0.9 . . . . 1.0 110.15 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 1' ' ' ASP . 0.4 OUTLIER -69.81 -34.21 73.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.197 -0.939 . . . . 1.0 109.885 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -74.81 -46.19 38.4 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.304 -0.873 . . . . 1.0 109.626 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.33 -29.19 32.56 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.241 -0.912 . . . . 1.0 109.403 179.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.466 ' HE2' ' HB2' ' A' ' 11' ' ' TYR . 1.2 ttp -84.04 -48.52 9.82 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.474 -0.766 . . . . 1.0 109.725 179.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 12' ' ' SER . 1.1 p -52.2 -46.36 65.56 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.359 -0.838 . . . . 1.0 110.196 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -27.49 67.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.239 -0.913 . . . . 1.0 109.684 179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.48 HD23 ' HA ' ' A' ' 10' ' ' LEU . 1.9 mt -90.17 -51.5 5.42 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.426 -0.796 . . . . 1.0 110.037 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.466 ' HB2' ' HE2' ' A' ' 7' ' ' MET . 0.2 OUTLIER -73.99 -48.23 31.76 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.31 -0.869 . . . . 1.0 110.147 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.414 ' HB2' ' O ' ' A' ' 8' ' ' SER . 1.7 m -80.83 6.91 11.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.356 -0.84 . . . . 1.0 110.005 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.13 -27.14 9.58 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 110.099 -1.2 . . . . 1.0 110.099 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.623 ' CZ2' ' HB2' ' A' ' 15' ' ' SER . 8.9 p-90 -102.39 -28.53 12.17 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.978 -1.307 . . . . 1.0 110.501 -179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.623 ' HB2' ' CZ2' ' A' ' 14' ' ' TRP . 46.9 t -108.0 -25.89 10.94 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.19 -0.944 . . . . 1.0 110.17 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 15' ' ' SER . 0.2 OUTLIER 45.1 25.46 0.17 Allowed 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.244 -0.91 . . . . 1.0 109.422 -179.483 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.421 ' O ' ' C ' ' A' ' 18' ' ' THR . 3.5 t80 -132.64 -42.85 0.92 Allowed 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.563 -0.71 . . . . 1.0 109.937 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 18' ' ' THR . 42.3 p -42.09 -34.91 0.8 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.469 -0.769 . . . . 1.0 110.145 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 t -52.52 -26.99 14.65 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 1.0 110.033 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.49 -41.85 99.75 Favored Glycine 0 N--CA 1.486 2.017 0 N-CA-C 109.517 -1.433 . . . . 1.0 109.517 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 -51.24 37.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.333 -1.098 . . . . 1.0 110.194 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -56.43 -31.48 63.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.244 -0.91 . . . . 1.0 110.105 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.228 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.348 0.594 . . . . 1.0 110.4 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -127.22 -60.64 1.19 Allowed 'General case' 0 C--N 1.297 -1.683 0 O-C-N 121.212 -0.93 . . . . 1.0 109.779 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 3' ' ' LEU . 1.8 mm? -57.54 -23.87 52.83 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.533 -0.867 . . . . 1.0 108.876 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.53 -44.6 82.02 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.636 -0.665 . . . . 1.0 109.445 179.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.72 -50.77 63.64 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.281 -0.887 . . . . 1.0 109.611 179.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.96 -27.93 34.36 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.251 -0.906 . . . . 1.0 109.441 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.527 ' HE3' ' HB2' ' A' ' 11' ' ' TYR . 3.3 mmm -89.7 -45.39 9.35 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.462 -0.773 . . . . 1.0 109.808 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.482 ' HA ' ' OG ' ' A' ' 12' ' ' SER . 30.4 t -49.3 -40.24 34.1 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.27 -0.894 . . . . 1.0 109.818 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -17.53 48.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.28 -0.887 . . . . 1.0 109.907 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 10' ' ' LEU . 9.6 mt -104.72 -52.27 2.91 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.289 -0.882 . . . . 1.0 110.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.527 ' HB2' ' HE3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -74.61 -44.53 50.19 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.236 -0.915 . . . . 1.0 110.071 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.482 ' OG ' ' HA ' ' A' ' 8' ' ' SER . 1.2 m -72.7 -3.74 26.98 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.425 -0.797 . . . . 1.0 109.955 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.5 -43.32 7.42 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.539 -1.424 . . . . 1.0 109.539 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.616 ' CZ3' ' HB2' ' A' ' 15' ' ' SER . 21.0 p-90 -82.39 -29.19 30.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.136 -1.214 . . . . 1.0 110.59 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.616 ' HB2' ' CZ3' ' A' ' 14' ' ' TRP . 1.2 t -117.55 -28.73 5.98 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.176 -0.952 . . . . 1.0 110.682 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.471 ' CA ' ' O ' ' A' ' 12' ' ' SER . 0.2 OUTLIER 47.36 25.08 0.54 Allowed 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.018 -1.051 . . . . 1.0 109.134 -179.371 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.457 ' O ' ' N ' ' A' ' 20' ' ' GLY . 73.2 t80 -127.2 -44.39 1.59 Allowed 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.557 -0.714 . . . . 1.0 110.158 -179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 17' ' ' PHE . 41.1 p -42.4 -31.13 0.38 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.271 -0.893 . . . . 1.0 110.353 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 t -76.09 -29.02 57.77 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.378 -0.826 . . . . 1.0 110.364 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 17' ' ' PHE . . . -56.2 -36.33 68.17 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.664 -1.374 . . . . 1.0 109.664 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.26 -52.4 10.07 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.332 -1.099 . . . . 1.0 110.421 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 m -60.94 -35.96 78.09 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.139 -0.975 . . . . 1.0 110.287 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.507 ' HB3' ' HB2' ' A' ' 4' ' ' ASN . 11.9 m-20 . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 121.359 0.6 . . . . 1.0 110.443 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.454 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 8.4 t80 -83.92 -65.61 0.99 Allowed 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.435 -0.791 . . . . 1.0 109.935 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.454 ' N ' ' CD2' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -50.04 -22.73 1.71 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.276 -0.89 . . . . 1.0 109.629 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.507 ' HB2' ' HB3' ' A' ' 1' ' ' ASP . 3.6 m-20 -66.59 -39.81 88.59 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.484 -0.76 . . . . 1.0 109.642 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 t -69.46 -52.45 26.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.275 -0.89 . . . . 1.0 109.512 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.05 -32.94 16.75 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.253 -0.904 . . . . 1.0 109.385 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.4 ttp -80.01 -47.51 14.81 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.613 -0.679 . . . . 1.0 110.036 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.517 ' O ' ' CB ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -49.88 -41.01 44.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.338 -0.851 . . . . 1.0 109.863 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t -56.5 -34.39 66.91 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.341 -0.849 . . . . 1.0 109.765 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 10' ' ' LEU . 1.0 OUTLIER -89.19 -52.69 4.93 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.405 -0.81 . . . . 1.0 110.236 179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.72 -48.67 24.54 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.23 -0.919 . . . . 1.0 109.963 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 8' ' ' SER . 0.3 OUTLIER -75.56 -3.4 34.03 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.399 -0.813 . . . . 1.0 109.778 179.602 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.71 -37.59 13.42 Favored Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.562 -1.415 . . . . 1.0 109.562 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.619 ' CH2' ' HB2' ' A' ' 15' ' ' SER . 18.8 p-90 -91.73 -30.26 16.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.13 -1.218 . . . . 1.0 110.348 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.619 ' HB2' ' CH2' ' A' ' 14' ' ' TRP . 0.2 OUTLIER -108.6 -27.18 10.0 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.296 -0.878 . . . . 1.0 110.327 -179.901 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 12' ' ' SER . 0.3 OUTLIER 46.93 25.65 0.49 Allowed 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.235 -0.916 . . . . 1.0 108.968 -179.269 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -135.93 -47.55 0.66 Allowed 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.628 -0.67 . . . . 1.0 110.188 -179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.465 HG23 ' OG ' ' A' ' 15' ' ' SER . 72.8 p -44.03 -41.33 5.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.289 -0.882 . . . . 1.0 110.389 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.469 ' HA ' ' HB2' ' A' ' 22' ' ' SER . 14.3 t -57.8 -25.47 60.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.162 -0.961 . . . . 1.0 110.18 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 19' ' ' THR . . . -45.4 -54.98 7.07 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.618 -1.393 . . . . 1.0 109.618 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.9 -37.55 34.47 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.358 -1.084 . . . . 1.0 110.283 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.469 ' HB2' ' HA ' ' A' ' 19' ' ' THR . 13.2 m -51.14 -31.6 20.26 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.162 -0.961 . . . . 1.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 tttt . . . . . 0 N--CA 1.488 1.47 0 CA-C-O 117.987 -1.006 . . . . 1.0 110.227 -179.972 . . . . . . . . 0 0 . 1 stop_ save_