data_1yyx_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 1yyx _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 121.086 0.469 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 8' ' ' GLU . 13.7 t0 -75.13 -40.93 59.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.087 -1.008 . . . . 0.0 110.648 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.499 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -49.87 -40.6 43.16 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 179.143 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.499 ' N ' HD21 ' A' ' 6' ' ' ASN . 2.6 m95 -60.25 -39.56 87.19 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 5' ' ' ASP . 35.7 tt0 -59.76 -49.4 77.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.599 -0.688 . . . . 0.0 109.409 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.4 m -51.79 -50.37 60.87 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -27.99 69.57 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.281 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.401 ' C ' ' N ' ' A' ' 13' ' ' ASN . 1.8 t-20 -63.95 -67.78 0.4 Allowed 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.454 -1.404 . . . . 0.0 110.08 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.17 -19.76 0.85 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 11' ' ' ASN . 6.1 m-80 -68.65 -61.71 1.7 Allowed 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 117.987 -1.485 . . . . 0.0 108.27 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.2 mm? -53.57 -33.81 56.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.05 -1.031 . . . . 0.0 108.689 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -58.48 -51.13 71.16 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.579 -0.7 . . . . 0.0 110.691 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.654 ' O ' ' N ' ' A' ' 20' ' ' ALA . 38.4 t -67.54 -56.01 14.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.851 -1.156 . . . . 0.0 111.255 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -50.29 -44.32 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.417 0 O-C-N 120.043 -1.661 . . . . 0.0 107.472 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 4.7 mm-40 -59.63 -32.96 70.91 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' VAL . 13.7 mtpp -125.09 36.16 4.64 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.492 -0.755 . . . . 0.0 110.038 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.5 -19.12 65.39 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.291 -0.881 . . . . 0.0 110.14 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 19' ' ' LYS . 1.5 m-20 66.42 -32.95 0.18 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.517 -0.74 . . . . 0.0 109.604 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.671 HD21 HE22 ' A' ' 25' ' ' GLN . 6.0 m-80 -152.97 152.13 31.08 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.171 -0.955 . . . . 0.0 109.438 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.8 -14.78 0.4 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.935 . . . . 0.0 109.759 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.99 -57.58 5.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.008 -1.058 . . . . 0.0 110.503 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.671 HE22 HD21 ' A' ' 22' ' ' ASN . 1.8 mt-30 -65.02 -13.52 58.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.838 -1.164 . . . . 0.0 110.067 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.7 t -70.81 -51.64 34.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -55.15 -37.45 66.98 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.844 0.831 . . . . 0.0 109.177 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.425 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 1.3 t0 -60.87 -62.8 1.59 Allowed 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.89 -49.83 48.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.659 -0.651 . . . . 0.0 110.812 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.3 mt -58.94 -35.69 73.53 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.029 -1.044 . . . . 0.0 110.048 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.3 m -64.15 -30.39 71.46 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.89 -1.131 . . . . 0.0 108.879 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.425 ' NZ ' ' OD1' ' A' ' 28' ' ' ASP . 5.4 mmtt -73.78 -42.13 61.45 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.681 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -54.4 -39.0 66.86 Favored 'General case' 0 C--O 1.2 -1.525 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.401 HH21 ' HB3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -51.31 -48.71 62.27 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 177.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.58 -54.02 23.34 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -22.4 66.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.398 -0.814 . . . . 0.0 109.672 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.82 -73.93 0.12 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.247 -0.908 . . . . 0.0 110.891 -178.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 8.7 mt -62.63 -23.89 67.31 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.289 -0.964 . . . . 0.0 109.482 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.24 -39.64 91.05 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.94 -25.79 67.8 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -47.08 -40.94 16.2 Favored 'General case' 0 N--CA 1.505 2.31 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 178.297 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -111.84 25.62 11.44 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.353 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -166.13 68.02 0.11 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.975 -1.078 . . . . 0.0 108.644 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.2 t80 . . . . . 0 N--CA 1.485 1.31 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.618 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -54.81 -36.71 65.26 Favored 'General case' 0 C--O 1.2 -1.516 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 176.571 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -51.05 -43.58 60.96 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.66 -49.62 54.3 Favored Glycine 0 N--CA 1.5 2.916 0 N-CA-C 108.894 -1.682 . . . . 0.0 108.894 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.95 -33.33 75.58 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.618 ' N ' ' O ' ' A' ' 62' ' ' ARG . 9.9 t0 -56.08 -37.15 68.95 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.4 mt -65.43 -67.37 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.464 -0.772 . . . . 0.0 109.325 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.481 ' CD2' ' HZ1' ' A' ' 104' ' ' LYS . 2.3 pp -54.55 -45.85 73.52 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.388 -0.82 . . . . 0.0 109.687 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.8 t -65.98 -18.84 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.784 -1.197 . . . . 0.0 110.269 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.86 -49.43 42.17 Favored Glycine 0 N--CA 1.493 2.436 0 C-N-CA 119.991 -1.1 . . . . 0.0 110.956 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.422 ' OE1' ' OE1' ' A' ' 93' ' ' GLN . 1.8 pt20 -72.0 -22.61 61.39 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.807 -1.408 . . . . 0.0 110.658 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.22 -61.68 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.437 -1.414 . . . . 0.0 107.797 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -56.45 -32.77 65.24 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -62.3 -21.83 65.56 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.576 -1.649 . . . . 0.0 107.997 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.51 -34.38 70.04 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.91 -39.52 85.71 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -63.97 -46.55 84.15 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 122.502 1.144 . . . . 0.0 109.542 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.5 mp -63.92 -55.7 20.69 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.642 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.04 -37.08 6.27 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.128 -0.983 . . . . 0.0 109.713 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -64.49 -27.71 69.16 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.581 ' N ' ' O ' ' A' ' 78' ' ' LEU . 27.0 tt0 -86.05 4.74 36.68 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.58 40.17 6.46 Favored Glycine 0 N--CA 1.497 2.707 0 O-C-N 121.128 -0.983 . . . . 0.0 111.54 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -101.15 66.72 1.14 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.939 -1.33 . . . . 0.0 109.416 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.1 t -62.76 -58.49 7.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 O-C-N 121.645 -0.659 . . . . 0.0 110.598 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -47.21 59.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.219 -0.926 . . . . 0.0 109.78 -178.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.33 -47.01 87.01 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 121.76 -0.587 . . . . 0.0 109.87 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.36 90.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.933 -1.104 . . . . 0.0 108.688 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.86 -41.05 96.0 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.19 96.36 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.5 -21.72 62.74 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.15 67.23 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.273 -0.892 . . . . 0.0 109.338 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.71 -12.82 18.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.097 -1.002 . . . . 0.0 109.101 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.614 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.93 -39.85 61.15 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 178.46 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 57.1 tp -67.13 -41.52 86.01 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.437 -0.789 . . . . 0.0 109.112 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -57.55 -63.11 1.35 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.101 -0.999 . . . . 0.0 109.199 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 m -65.41 -25.48 67.56 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.369 -0.832 . . . . 0.0 110.473 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.614 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 4.9 m -49.64 -58.42 5.3 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.694 -1.254 . . . . 0.0 108.302 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.439 HG22 ' N ' ' A' ' 104' ' ' LYS . 1.3 mp -57.61 -55.74 19.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.66 -0.65 . . . . 0.0 109.914 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.524 ' O ' ' NE ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -57.99 -49.48 76.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.726 -1.234 . . . . 0.0 110.862 -179.056 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.48 -35.92 77.05 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.988 -1.07 . . . . 0.0 109.522 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.488 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.1 m-30 -69.57 -5.0 21.53 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.5 t30 90.62 66.34 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 -176.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.546 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.0 OUTLIER 47.36 54.84 9.01 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -176.606 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 30.5 tptt 63.21 -95.03 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 113.897 -1.501 . . . . 0.0 108.744 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 104' ' ' LYS . 22.2 m-85 -145.71 20.6 1.48 Allowed 'General case' 0 N--CA 1.503 2.225 0 O-C-N 119.636 -1.915 . . . . 0.0 109.914 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.398 0 CA-C-O 118.067 -1.407 . . . . 0.0 109.657 179.556 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' GLU . 12.4 p-10 -76.65 -48.09 20.13 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.108 -0.995 . . . . 0.0 110.497 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.661 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -49.65 -39.58 36.64 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 179.109 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.661 ' N ' HD21 ' A' ' 6' ' ' ASN . 4.3 m95 -59.19 -37.17 76.77 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.761 178.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ASP . 15.5 tm-20 -61.32 -43.09 99.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.392 -0.817 . . . . 0.0 109.128 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -55.64 -52.46 63.73 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.07 -28.58 69.88 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.44 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -59.02 -65.23 0.7 Allowed 'General case' 0 C--N 1.29 -1.984 0 O-C-N 120.81 -1.181 . . . . 0.0 110.523 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -52.53 -23.04 5.59 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.565 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.57 -56.93 10.81 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 117.548 -1.661 . . . . 0.0 108.537 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 4.0 mm? -58.57 -35.69 72.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.062 -1.024 . . . . 0.0 109.136 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -54.24 -51.3 64.93 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.705 -0.622 . . . . 0.0 110.633 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.615 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.6 t -68.48 -56.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 120.868 -1.145 . . . . 0.0 111.659 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -42.33 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.481 0 O-C-N 120.009 -1.682 . . . . 0.0 107.987 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 7.9 mm-40 -62.58 -26.14 68.44 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' A' ' 16' ' ' VAL . 14.7 mtpp -129.0 32.03 4.81 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.5 -0.75 . . . . 0.0 110.282 -178.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.615 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.1 -13.4 47.42 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.992 -1.068 . . . . 0.0 110.748 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 66.59 -35.62 0.24 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.357 -0.84 . . . . 0.0 109.825 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.594 ' H ' ' C ' ' A' ' 20' ' ' ALA . 3.8 m-80 -152.96 151.71 30.62 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.249 -0.907 . . . . 0.0 109.731 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.93 -14.95 0.65 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.143 -0.973 . . . . 0.0 109.18 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.71 -58.79 4.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.866 -1.146 . . . . 0.0 110.031 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.498 HE22 HD21 ' A' ' 22' ' ' ASN . 1.2 mp0 -65.57 -12.92 57.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.789 -1.194 . . . . 0.0 109.863 -179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.6 t -70.48 -46.97 68.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -54.99 -43.59 73.7 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.945 0.879 . . . . 0.0 108.923 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.52 -60.79 3.16 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.04 -52.05 7.39 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.256 0.55 . . . . 0.0 110.583 -178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.94 -32.7 71.04 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.17 -0.956 . . . . 0.0 110.547 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 m -66.28 -30.54 70.99 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.347 -1.47 . . . . 0.0 108.027 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -69.7 -41.11 75.82 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.66 ' O ' ' N ' ' A' ' 37' ' ' ALA . 1.3 mtp -54.29 -51.73 63.69 Favored 'General case' 0 C--O 1.2 -1.542 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.474 ' NH2' ' O ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -37.31 -49.99 0.99 Allowed 'General case' 0 N--CA 1.501 2.08 0 CA-C-O 121.869 0.842 . . . . 0.0 109.244 179.179 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.99 -55.69 13.35 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.299 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.23 -21.35 66.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.476 -0.765 . . . . 0.0 110.208 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.66 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -63.09 -69.84 0.24 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.119 -0.988 . . . . 0.0 109.981 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.41 -19.7 66.06 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.208 -0.933 . . . . 0.0 109.429 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -61.73 -40.99 97.03 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 43' ' ' ALA . . . -58.52 -35.72 72.71 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -41.45 13.33 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -86.25 -5.01 59.28 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.786 -0.572 . . . . 0.0 110.617 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -162.85 93.12 0.8 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.725 -1.234 . . . . 0.0 108.952 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' GLY . 4.1 t80 . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 106.541 -1.652 . . . . 0.0 106.541 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 66' ' ' ASP . 1.1 ttt180 -53.51 -34.03 56.63 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 176.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -55.56 -38.1 68.88 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -70.14 -44.73 59.34 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.259 -1.537 . . . . 0.0 109.259 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' ASP . 12.6 m-85 -72.11 -43.02 65.41 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 62' ' ' ARG . 10.7 t70 -43.75 -38.84 3.39 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mm -67.33 -66.61 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 O-C-N 121.759 -0.588 . . . . 0.0 110.035 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 pp -55.37 -48.45 74.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.192 -0.943 . . . . 0.0 110.503 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.474 ' O ' ' NH2' ' A' ' 34' ' ' ARG . 5.8 m -64.81 -21.51 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 120.438 -1.414 . . . . 0.0 109.794 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.427 ' O ' ' OD1' ' A' ' 73' ' ' ASP . . . -68.89 -48.24 49.76 Favored Glycine 0 N--CA 1.496 2.697 0 O-C-N 121.319 -0.863 . . . . 0.0 111.172 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.554 ' NE2' ' OE1' ' A' ' 93' ' ' GLN . 1.6 pt20 -71.99 -26.16 62.13 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.695 -1.473 . . . . 0.0 109.11 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.0 mm -61.15 -57.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 3.5 p30 -58.79 -32.24 69.15 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.546 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 22.8 t70 -59.82 -20.0 54.22 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 117.743 -1.583 . . . . 0.0 107.327 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.57 -35.43 67.95 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.467 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 5.0 tt -57.77 -39.76 78.2 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 177.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -64.12 -45.18 89.7 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 122.337 1.065 . . . . 0.0 110.034 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.3 mp -64.47 -53.99 39.55 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.82 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.15 -32.88 4.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.084 -1.01 . . . . 0.0 109.209 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.7 m120 -65.73 -30.28 70.92 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 78' ' ' LEU . 24.6 tt0 -86.12 7.12 26.09 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.06 42.97 5.79 Favored Glycine 0 N--CA 1.497 2.742 0 O-C-N 121.253 -0.904 . . . . 0.0 111.474 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -101.2 70.95 1.36 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.972 -1.311 . . . . 0.0 109.894 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.6 -52.34 58.86 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 CA-C-O 121.279 0.561 . . . . 0.0 110.033 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -74.8 -50.7 16.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.383 -0.823 . . . . 0.0 110.389 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.65 -42.89 79.71 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.493 -0.754 . . . . 0.0 109.875 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.79 84.18 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.04 -1.037 . . . . 0.0 109.85 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -63.58 -39.6 94.8 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.029 -1.044 . . . . 0.0 108.681 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.1 96.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.971 -1.081 . . . . 0.0 108.248 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.95 -22.54 65.72 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.58 -52.0 62.9 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.842 -1.161 . . . . 0.0 108.535 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.27 -11.21 29.44 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.378 -0.826 . . . . 0.0 110.385 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.624 ' C ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -76.43 -32.61 58.58 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.7 tp -66.06 -51.55 57.08 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -50.54 -65.19 0.6 Allowed 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.613 0.72 . . . . 0.0 109.799 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 m -64.19 -32.17 73.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.274 -0.891 . . . . 0.0 110.571 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.583 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.7 m -49.88 -54.97 16.2 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.696 -1.253 . . . . 0.0 108.988 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.04 -55.9 12.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.017 -1.052 . . . . 0.0 108.448 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -58.53 -50.55 73.35 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.692 -1.255 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.17 -31.71 71.45 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.992 -1.068 . . . . 0.0 109.794 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.8 m-30 -72.77 -6.34 44.08 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.0 OUTLIER 91.25 66.2 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 104.62 -2.363 . . . . 0.0 104.62 -176.621 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 102' ' ' ASN . 0.8 OUTLIER 46.39 57.49 5.33 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -176.017 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.1 tptt 60.9 -80.37 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.204 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.82 2.77 1.06 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.111 -1.618 . . . . 0.0 109.75 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.118 0 CA-C-O 118.015 -1.436 . . . . 0.0 110.407 179.459 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.34 0.591 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -76.46 -35.6 58.37 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.832 -1.168 . . . . 0.0 109.889 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.623 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -52.46 -41.9 63.71 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 178.45 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.623 ' N ' HD21 ' A' ' 6' ' ' ASN . 2.1 m95 -57.52 -41.01 80.01 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.3 -45.49 87.89 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.446 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.8 m -56.0 -56.28 22.63 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.35 -24.01 67.66 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.341 0.591 . . . . 0.0 109.892 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -63.83 -68.9 0.31 Allowed 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.63 -1.294 . . . . 0.0 109.925 -179.324 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.65 -16.43 2.46 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.88 -0.513 . . . . 0.0 109.89 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 9' ' ' THR . 5.9 m-80 -66.59 -56.85 8.81 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 117.917 -1.513 . . . . 0.0 108.332 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.2 mm? -57.07 -34.6 68.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.11 -0.994 . . . . 0.0 108.931 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -58.27 -45.39 87.97 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.722 -0.611 . . . . 0.0 110.098 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.635 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.7 t -68.52 -59.09 4.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.848 -1.158 . . . . 0.0 110.699 -178.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -46.27 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 O-C-N 120.431 -1.418 . . . . 0.0 107.814 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 4.6 mm-40 -57.85 -31.14 66.38 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 16' ' ' VAL . 17.7 mtpt -127.08 36.55 4.42 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.482 -0.761 . . . . 0.0 110.116 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.635 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.99 -15.14 61.96 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.247 -0.908 . . . . 0.0 110.416 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 64.5 -31.66 0.13 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.698 -0.626 . . . . 0.0 109.96 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.604 ' H ' ' C ' ' A' ' 20' ' ' ALA . 8.2 m-80 -154.39 152.64 30.43 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.141 -0.974 . . . . 0.0 109.72 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.04 -13.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.165 -0.959 . . . . 0.0 109.383 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 22' ' ' ASN . . . -66.27 -62.52 1.43 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.24 -0.913 . . . . 0.0 110.236 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.561 HE22 HD21 ' A' ' 22' ' ' ASN . 2.0 mt-30 -66.53 -10.82 48.87 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.963 -1.086 . . . . 0.0 110.425 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 t -69.2 -59.76 3.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 120.913 -1.117 . . . . 0.0 108.104 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -57.92 -32.28 67.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.555 -0.716 . . . . 0.0 110.111 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -61.15 2.7 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.148 -0.97 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.56 -41.62 54.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.744 -0.597 . . . . 0.0 110.624 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.524 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 14.7 mt -60.23 -42.26 94.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.763 -1.211 . . . . 0.0 109.741 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.9 m -58.57 -34.02 70.59 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.886 -1.134 . . . . 0.0 109.316 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -72.25 -38.68 68.82 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.628 ' O ' ' N ' ' A' ' 37' ' ' ALA . 3.7 mtm -60.77 -42.26 97.12 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.524 ' NH1' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -48.23 -50.81 28.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.94 -1.1 . . . . 0.0 108.148 178.568 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.25 -52.4 41.28 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.292 0.568 . . . . 0.0 109.665 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.58 -25.31 68.18 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 0.0 109.322 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.628 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.63 -72.03 0.18 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.259 -0.9 . . . . 0.0 111.309 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.424 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 11.6 mt -58.78 -22.6 58.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.102 -0.998 . . . . 0.0 108.88 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -61.74 -37.96 86.16 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -63.17 -28.35 69.99 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.608 HE21 ' C ' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -44.17 -46.05 8.64 Favored 'General case' 0 N--CA 1.511 2.597 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 178.02 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -106.92 23.05 15.0 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.303 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.79 55.14 0.11 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 64' ' ' GLY . 15.1 t80 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.649 ' O ' ' N ' ' A' ' 66' ' ' ASP . 14.7 ttp180 -52.45 -31.94 37.18 Favored 'General case' 0 C--O 1.203 -1.381 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 176.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -54.41 -33.83 60.14 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -71.62 -52.02 13.99 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -70.49 -36.91 74.09 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.487 -1.008 . . . . 0.0 108.884 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.649 ' N ' ' O ' ' A' ' 62' ' ' ARG . 14.7 t70 -54.45 -41.5 69.53 Favored 'General case' 0 C--N 1.29 -2.002 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.1 mm -64.25 -64.15 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.407 -0.808 . . . . 0.0 110.226 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 pp -53.81 -45.85 70.93 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.239 -0.913 . . . . 0.0 109.992 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -17.47 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 120.548 -1.345 . . . . 0.0 109.923 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.59 -57.56 8.89 Favored Glycine 0 N--CA 1.487 2.046 0 C-N-CA 119.71 -1.233 . . . . 0.0 111.727 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -72.72 -26.13 61.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.749 -1.442 . . . . 0.0 110.029 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.52 -57.12 13.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 121.167 -0.958 . . . . 0.0 109.037 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -56.82 -36.66 70.21 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.1 -20.91 64.54 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 117.475 -1.69 . . . . 0.0 107.734 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.61 -34.81 70.16 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.533 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 5.4 tt -57.97 -39.52 78.36 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 177.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -65.84 -47.67 74.21 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.421 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.3 mp -63.12 -55.91 21.32 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 121.685 -0.634 . . . . 0.0 109.814 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.69 -39.47 5.14 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.085 -1.009 . . . . 0.0 109.615 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.4 m120 -60.45 -30.4 69.64 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.604 ' N ' ' O ' ' A' ' 78' ' ' LEU . 11.9 tp10 -84.53 3.09 38.13 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.4 43.96 5.41 Favored Glycine 0 N--CA 1.498 2.809 0 O-C-N 121.212 -0.93 . . . . 0.0 111.918 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -103.61 68.49 0.94 Allowed 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.886 -1.361 . . . . 0.0 109.547 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.5 t -61.84 -42.44 94.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 O-C-N 121.484 -0.76 . . . . 0.0 110.782 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -55.21 6.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.038 -1.039 . . . . 0.0 110.205 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -44.31 90.05 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.683 -0.636 . . . . 0.0 110.128 -178.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.4 -49.65 74.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.927 -1.108 . . . . 0.0 109.322 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -62.67 -37.74 87.61 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.25 81.38 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.0 -23.53 66.48 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.58 -54.31 34.0 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.749 -0.594 . . . . 0.0 109.714 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.58 -15.42 38.75 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.076 -1.015 . . . . 0.0 109.346 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.587 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -75.35 -43.22 51.71 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 179.125 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.538 ' CD2' ' SD ' ' A' ' 33' ' ' MET . 16.0 tp -67.14 -38.72 86.03 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.118 -0.989 . . . . 0.0 109.217 178.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -56.7 -69.69 0.14 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.116 -0.99 . . . . 0.0 109.857 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 100' ' ' ALA . 0.7 OUTLIER -64.46 -23.91 67.44 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.388 -0.82 . . . . 0.0 110.247 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.587 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.9 m -48.46 -60.64 2.52 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.641 -1.287 . . . . 0.0 108.297 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.0 -57.67 7.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.791 -0.568 . . . . 0.0 109.645 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -58.22 -50.89 71.96 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.661 -1.275 . . . . 0.0 110.784 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 96' ' ' THR . . . -62.0 -29.62 70.39 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.886 -1.134 . . . . 0.0 109.304 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.51 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.3 m-30 -73.0 -6.42 45.33 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.2 t30 90.59 64.9 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -176.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.492 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.3 OUTLIER 47.81 56.89 6.57 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 -176.307 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.5 tptt 58.72 -83.16 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.314 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.64 10.15 1.21 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.382 -1.449 . . . . 0.0 109.087 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.007 0 CA-C-O 118.112 -1.382 . . . . 0.0 109.682 -179.868 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 120.957 0.408 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 22.0 p-10 -74.31 -36.96 63.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.802 -1.186 . . . . 0.0 110.991 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.529 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -52.76 -39.91 62.63 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.1 -1.815 . . . . 0.0 106.1 179.102 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.546 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.6 m95 -62.08 -43.79 98.08 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -51.78 -47.92 64.01 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.518 -0.739 . . . . 0.0 109.409 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.412 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 1.2 m -54.35 -57.3 11.79 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.51 -24.92 67.25 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 121.497 0.665 . . . . 0.0 109.309 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.546 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.6 OUTLIER -63.23 -65.74 0.64 Allowed 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.694 -1.254 . . . . 0.0 109.919 -178.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.92 -18.82 3.76 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.752 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 9' ' ' THR . 7.3 m-80 -65.73 -58.22 6.18 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 117.804 -1.558 . . . . 0.0 108.581 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.4 mm? -56.14 -33.59 65.32 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.148 -0.97 . . . . 0.0 109.011 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.699 ' HZ1' ' HZ1' ' A' ' 19' ' ' LYS . 13.7 ttpp -59.11 -49.42 77.96 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.706 -0.621 . . . . 0.0 111.038 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' ALA . 3.1 t -66.87 -53.2 36.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 120.632 -1.292 . . . . 0.0 111.03 -178.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -45.03 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 120.21 -1.556 . . . . 0.0 107.89 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.81 -25.97 66.98 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.699 ' HZ1' ' HZ1' ' A' ' 15' ' ' LYS . 12.1 mtpt -127.73 38.08 4.1 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.575 -0.703 . . . . 0.0 109.508 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.04 -34.02 77.07 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.468 -0.77 . . . . 0.0 111.32 -179.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 1.7 m-20 72.69 -35.34 0.32 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.238 -0.914 . . . . 0.0 109.135 -178.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.694 HD21 HE22 ' A' ' 25' ' ' GLN . 9.3 m-80 -152.26 153.85 34.57 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.149 -0.97 . . . . 0.0 109.901 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.78 -19.33 4.14 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.293 -0.879 . . . . 0.0 109.511 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.01 -54.06 36.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.201 -0.937 . . . . 0.0 109.949 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.694 HE22 HD21 ' A' ' 22' ' ' ASN . 1.9 mt-30 -70.26 -14.68 62.71 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.801 -1.187 . . . . 0.0 110.437 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.02 -63.89 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 120.91 -1.119 . . . . 0.0 108.728 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -26.43 39.48 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.789 -0.57 . . . . 0.0 109.706 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.54 -61.76 2.36 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.973 -1.079 . . . . 0.0 108.51 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.48 -48.82 47.51 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.709 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.01 -36.42 72.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.928 -1.108 . . . . 0.0 109.623 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.2 m -64.69 -30.88 71.91 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.623 -1.298 . . . . 0.0 108.475 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -73.72 -37.66 65.06 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.671 ' O ' ' N ' ' A' ' 37' ' ' ALA . 7.1 mtt -56.53 -44.04 80.43 Favored 'General case' 0 C--O 1.199 -1.554 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.499 HH12 ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.26 -49.63 23.08 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.258 -0.901 . . . . 0.0 108.779 179.136 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.62 -50.96 63.11 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 119.526 -0.87 . . . . 0.0 108.721 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.19 -21.61 64.87 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.415 -0.803 . . . . 0.0 109.958 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -63.58 -70.41 0.22 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.159 -0.963 . . . . 0.0 110.631 -178.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -32.83 72.22 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.671 -1.212 . . . . 0.0 110.285 -178.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -58.59 -35.68 72.79 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -63.63 -33.92 76.69 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 176.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -41.13 -33.28 0.33 Allowed 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.063 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -78.76 0.17 Allowed 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.53 108.02 18.37 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -178.936 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 66' ' ' ASP . 8.3 ttt180 -56.86 -33.66 67.03 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 176.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -53.36 -36.16 61.07 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.16 -46.08 45.4 Favored Glycine 0 N--CA 1.497 2.735 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -73.3 -41.04 64.04 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.429 -1.042 . . . . 0.0 108.715 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.555 ' N ' ' O ' ' A' ' 62' ' ' ARG . 50.3 t0 -50.31 -43.95 53.91 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -177.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.6 mm -63.04 -64.34 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.283 -0.885 . . . . 0.0 109.498 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.3 pp -56.42 -40.9 75.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.0 -1.063 . . . . 0.0 109.868 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.499 ' CG1' HH12 ' A' ' 34' ' ' ARG . 63.6 t -66.5 -22.41 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.879 -1.138 . . . . 0.0 110.57 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.87 -48.15 35.48 Favored Glycine 0 N--CA 1.497 2.718 0 O-C-N 121.041 -1.037 . . . . 0.0 112.151 -177.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -73.42 -28.05 61.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.609 -1.524 . . . . 0.0 110.298 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 mm -59.49 -56.73 15.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 O-C-N 121.092 -1.005 . . . . 0.0 108.872 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.6 p30 -58.31 -31.85 67.9 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 12.1 t70 -63.55 -22.09 66.7 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.089 -1.632 . . . . 0.0 108.031 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.19 -33.03 65.18 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 176.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.551 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 8.6 tt -57.52 -35.69 70.6 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -64.87 -46.51 81.48 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.003 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 81' ' ' GLU . 6.2 mp -63.42 -57.06 11.49 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 121.714 -0.616 . . . . 0.0 109.718 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.98 -34.16 3.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.095 -1.003 . . . . 0.0 109.896 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.7 m120 -65.71 -28.23 68.91 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 78' ' ' LEU . 19.3 tt0 -88.24 13.68 10.98 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.547 -0.721 . . . . 0.0 109.471 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.76 35.51 13.2 Favored Glycine 0 N--CA 1.498 2.794 0 O-C-N 121.218 -0.926 . . . . 0.0 111.93 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -101.25 66.38 1.11 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.816 -1.402 . . . . 0.0 110.683 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.98 -43.85 96.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 O-C-N 121.247 -0.908 . . . . 0.0 110.219 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.11 -49.75 22.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.137 -0.977 . . . . 0.0 110.233 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.25 -42.98 96.45 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.502 -0.749 . . . . 0.0 109.886 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.15 -42.95 88.34 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.931 -1.105 . . . . 0.0 109.625 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -61.99 -41.02 97.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.99 -1.069 . . . . 0.0 108.254 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.5 97.89 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.34 -24.18 66.27 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.26 95.29 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.38 -15.58 60.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.378 -0.826 . . . . 0.0 109.25 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.59 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -76.1 -42.22 47.86 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.14 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.81 -42.9 94.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.258 -0.901 . . . . 0.0 109.181 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -54.73 -62.19 1.82 Allowed 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.059 -1.026 . . . . 0.0 108.893 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.09 -23.26 64.91 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.426 -0.796 . . . . 0.0 110.501 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.59 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 19.3 m -49.82 -57.95 6.35 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.496 -1.378 . . . . 0.0 108.114 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 104' ' ' LYS . 2.5 mp -59.35 -56.51 16.64 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 121.959 -0.463 . . . . 0.0 110.515 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -57.99 -46.73 84.74 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.572 -1.33 . . . . 0.0 111.386 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.52 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -61.31 -41.4 96.94 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.756 -1.215 . . . . 0.0 109.373 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.491 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.9 m-30 -66.28 -0.62 2.69 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.52 ' H ' ' C ' ' A' ' 100' ' ' ALA . 1.6 t30 85.48 69.1 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 -178.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 105' ' ' TYR . 0.2 OUTLIER 46.19 54.57 8.17 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 -176.591 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.419 ' N ' HG22 ' A' ' 98' ' ' ILE . 31.9 tptt 60.19 -70.16 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.239 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -142.53 -12.29 0.79 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.482 -1.386 . . . . 0.0 109.696 178.312 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.416 ' OXT' ' O ' ' A' ' 105' ' ' TYR . . . . . . . . 0 N--CA 1.496 2.696 0 CA-C-O 118.075 -1.403 . . . . 0.0 110.41 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 121.184 0.516 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.03 -32.64 63.43 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.651 -1.281 . . . . 0.0 109.481 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -51.51 -45.17 62.78 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 178.039 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.506 ' N ' ' ND2' ' A' ' 6' ' ' ASN . 1.8 m95 -55.48 -40.04 71.16 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.415 ' OE2' ' OD2' ' A' ' 12' ' ' ASP . 4.6 tm-20 -61.03 -40.13 92.39 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.437 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.0 m -57.65 -54.25 48.95 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.72 -29.36 70.34 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.605 0.717 . . . . 0.0 109.269 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 7' ' ' TRP . 1.2 t-20 -60.15 -64.96 0.76 Allowed 'General case' 0 C--N 1.29 -2.004 0 O-C-N 120.567 -1.333 . . . . 0.0 109.85 -179.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.415 ' OD2' ' OE2' ' A' ' 8' ' ' GLU . 91.6 m-20 -54.33 -21.55 9.72 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.631 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 9' ' ' THR . 10.8 m-80 -68.27 -61.35 1.88 Allowed 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 118.148 -1.421 . . . . 0.0 108.046 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.447 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 4.2 mm? -55.25 -33.14 62.9 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.254 -0.904 . . . . 0.0 109.387 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.736 ' HZ2' ' HZ2' ' A' ' 19' ' ' LYS . 14.6 ttpp -54.78 -55.36 30.88 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.58 -0.7 . . . . 0.0 110.887 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.1 t -63.79 -50.55 77.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 120.734 -1.229 . . . . 0.0 111.172 -178.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.73 -53.98 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 120.154 -1.591 . . . . 0.0 108.464 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.13 -18.37 9.76 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.475 -0.89 . . . . 0.0 108.763 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.736 ' HZ2' ' HZ2' ' A' ' 15' ' ' LYS . 22.3 mtpt -129.13 28.32 5.29 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.385 -0.822 . . . . 0.0 110.034 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.618 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.47 -17.99 64.35 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.096 -1.003 . . . . 0.0 110.966 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 68.74 -33.29 0.24 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.557 -0.715 . . . . 0.0 109.505 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.588 ' H ' ' C ' ' A' ' 20' ' ' ALA . 4.5 m-80 -153.23 149.51 28.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.17 -0.956 . . . . 0.0 109.775 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.69 -9.93 0.14 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 0.0 109.338 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' A' ' 22' ' ' ASN . . . -68.38 -61.6 1.77 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.006 -1.059 . . . . 0.0 110.183 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.5 HE22 HD21 ' A' ' 22' ' ' ASN . 1.4 mp0 -65.98 -11.32 46.87 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.871 -1.143 . . . . 0.0 110.042 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.2 t -69.89 -58.01 6.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.116 -0.99 . . . . 0.0 108.473 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -57.41 -33.61 68.05 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.285 -0.884 . . . . 0.0 109.837 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -63.08 -58.71 6.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.086 -1.009 . . . . 0.0 108.364 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.21 -45.04 43.78 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.073 0.463 . . . . 0.0 110.66 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.23 -35.33 75.21 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.069 -1.019 . . . . 0.0 110.335 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 m -64.4 -30.51 71.55 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.523 -1.36 . . . . 0.0 107.997 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -73.26 -37.24 66.39 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.667 ' O ' ' N ' ' A' ' 37' ' ' ALA . 11.1 mtp -59.68 -40.63 88.47 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.67 -46.98 20.34 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.98 -50.29 66.94 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.34 -18.17 64.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.336 -0.853 . . . . 0.0 109.411 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -65.28 -71.23 0.19 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.246 -0.909 . . . . 0.0 110.832 -178.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.4 mt -64.28 -23.52 67.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.064 -1.023 . . . . 0.0 109.563 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -62.58 -35.81 80.71 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.66 -39.72 77.68 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -48.3 -36.64 14.61 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.661 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -98.21 -1.26 42.46 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.67 -0.644 . . . . 0.0 112.323 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.42 90.06 0.71 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.344 -1.472 . . . . 0.0 109.413 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.301 -1.526 0 O-C-N 121.468 -0.77 . . . . 0.0 108.949 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 66' ' ' ASP . 17.5 ttt180 -57.7 -35.67 70.94 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 176.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -50.98 -40.65 58.4 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.72 -44.24 81.73 Favored Glycine 0 N--CA 1.497 2.757 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.471 ' CZ ' ' NZ ' ' A' ' 104' ' ' LYS . 29.6 m-85 -70.72 -44.88 65.97 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 62' ' ' ARG . 66.7 t0 -37.86 -44.09 0.73 Allowed 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.615 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mt -68.59 -62.08 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.445 -0.784 . . . . 0.0 110.038 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 pp -58.08 -47.16 84.04 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.001 -1.062 . . . . 0.0 111.14 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.2 m -62.07 -21.25 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 120.187 -1.571 . . . . 0.0 109.626 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.75 -41.92 88.0 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -24.81 60.54 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.07 -1.253 . . . . 0.0 110.33 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 79.4 mt -60.42 -57.81 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.75 -1.219 . . . . 0.0 107.778 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' LEU . 2.8 p30 -61.33 -37.44 83.27 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.769 -0.582 . . . . 0.0 109.653 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.65 -22.17 61.53 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.085 -1.634 . . . . 0.0 108.109 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.28 -33.57 69.86 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.507 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 5.8 tt -59.61 -39.96 85.98 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 177.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -63.37 -45.38 91.43 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 122.119 0.961 . . . . 0.0 109.895 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.4 mp -64.63 -54.61 29.16 Favored 'General case' 0 C--N 1.291 -1.952 0 O-C-N 121.829 -0.545 . . . . 0.0 109.978 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.08 -41.25 11.98 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.051 -1.031 . . . . 0.0 109.522 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 0.7 OUTLIER -62.63 -26.45 68.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.953 -1.092 . . . . 0.0 108.316 178.775 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 78' ' ' LEU . 46.0 tt0 -86.41 7.44 25.76 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.01 34.29 8.99 Favored Glycine 0 N--CA 1.495 2.595 0 O-C-N 121.116 -0.99 . . . . 0.0 111.333 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -95.39 72.08 3.22 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.78 -1.424 . . . . 0.0 109.342 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.57 -59.58 4.12 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 CA-C-O 121.307 0.575 . . . . 0.0 110.166 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -49.03 25.46 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.416 -0.802 . . . . 0.0 110.472 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -53.69 -44.02 69.42 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.593 -0.692 . . . . 0.0 109.812 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.94 83.96 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.906 -1.122 . . . . 0.0 109.664 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -62.95 -43.81 97.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.128 -0.983 . . . . 0.0 108.816 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.4 98.41 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.192 -0.942 . . . . 0.0 108.911 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.19 -25.52 67.09 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.87 86.08 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -63.16 -12.86 30.89 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.486 -0.758 . . . . 0.0 109.013 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.594 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.39 -42.26 59.56 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.684 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.45 ' N ' ' HG3' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -70.21 -35.77 74.11 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.718 -0.793 . . . . 0.0 109.317 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -56.25 -64.83 0.73 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.768 -1.208 . . . . 0.0 108.352 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.6 m -66.84 -20.97 66.03 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.292 -0.88 . . . . 0.0 110.454 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.594 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 18.6 m -50.12 -55.98 12.79 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.472 -1.392 . . . . 0.0 107.92 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 104' ' ' LYS . 1.4 mp -58.19 -56.03 18.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -58.05 -50.37 73.68 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.53 -1.356 . . . . 0.0 111.033 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -62.09 -32.83 73.42 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.029 -1.045 . . . . 0.0 110.148 -179.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.506 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.5 m-30 -70.24 -1.74 11.22 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.7 t30 89.62 63.97 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 105.058 -2.201 . . . . 0.0 105.058 -176.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.515 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.1 OUTLIER 47.76 54.4 9.93 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 -176.533 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.471 ' NZ ' ' CZ ' ' A' ' 65' ' ' PHE . 14.5 tptp 60.61 -84.63 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.365 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.88 11.32 1.6 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.599 -1.313 . . . . 0.0 109.054 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 CA-C-O 117.942 -1.477 . . . . 0.0 109.591 -179.836 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.547 0.689 . . . . 0.0 109.191 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 8' ' ' GLU . 5.6 t70 -77.26 -42.56 36.62 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.253 -0.904 . . . . 0.0 109.952 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.637 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -50.2 -40.79 48.25 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 178.853 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.637 ' N ' HD21 ' A' ' 6' ' ' ASN . 2.6 m95 -58.8 -37.35 76.16 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 177.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' ASP . 39.1 tt0 -60.34 -41.68 94.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.531 -0.731 . . . . 0.0 109.449 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.471 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 5.1 m -57.12 -52.04 66.88 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.13 -28.13 69.56 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.613 0.721 . . . . 0.0 109.151 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -65.62 0.66 Allowed 'General case' 0 C--N 1.293 -1.875 0 O-C-N 120.847 -1.158 . . . . 0.0 110.104 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -54.38 -21.22 9.0 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 9' ' ' THR . 17.9 m-80 -68.4 -64.12 0.93 Allowed 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 117.723 -1.591 . . . . 0.0 107.811 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.464 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.1 mm? -52.34 -31.27 32.6 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.341 -0.85 . . . . 0.0 108.971 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -58.5 -48.98 79.03 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.504 -0.747 . . . . 0.0 109.616 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.608 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.3 t -69.18 -57.69 7.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 120.815 -1.178 . . . . 0.0 111.002 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.404 HG21 HD11 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -49.93 -45.13 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 O-C-N 120.045 -1.66 . . . . 0.0 108.172 -178.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 5.1 mm-40 -58.84 -27.16 64.85 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 177.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 16' ' ' VAL . 11.6 mtpp -127.28 36.22 4.44 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.709 -0.619 . . . . 0.0 109.614 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.608 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -62.81 -27.67 69.47 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.105 -0.997 . . . . 0.0 110.605 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER 71.59 -33.8 0.28 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.382 -0.824 . . . . 0.0 109.377 -178.77 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.656 HD21 ' NE2' ' A' ' 25' ' ' GLN . 2.6 m-80 -153.5 154.36 34.21 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.212 -0.93 . . . . 0.0 109.658 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.64 -21.95 7.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.199 -0.938 . . . . 0.0 109.823 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -49.13 71.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.133 -0.98 . . . . 0.0 109.957 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.656 ' NE2' HD21 ' A' ' 22' ' ' ASN . 16.3 mp0 -72.69 -14.7 61.63 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.505 -1.372 . . . . 0.0 110.351 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.3 t -69.49 -57.08 9.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 120.903 -1.123 . . . . 0.0 108.457 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.673 ' HZ3' ' ND2' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -58.85 -29.73 67.16 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 0.0 109.603 -179.734 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -62.06 2.14 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.001 -1.062 . . . . 0.0 108.789 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.84 -40.77 69.94 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.632 -0.667 . . . . 0.0 110.681 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.78 -34.27 75.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.489 -1.382 . . . . 0.0 109.984 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.8 m -65.44 -33.21 75.4 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.795 -1.19 . . . . 0.0 108.662 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -73.51 -35.42 65.59 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.652 ' O ' ' N ' ' A' ' 37' ' ' ALA . 1.5 mtp -57.32 -43.02 82.93 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.547 HH12 ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -48.39 -48.65 36.72 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.794 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -56.22 14.1 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.347 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.7 -19.94 66.09 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.384 -0.822 . . . . 0.0 110.067 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.652 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.61 -73.57 0.13 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.056 -1.028 . . . . 0.0 110.633 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 12.3 mt -61.53 -21.85 64.62 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.415 -178.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -59.98 -40.46 89.21 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -60.79 -31.51 70.88 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -46.0 -32.67 2.9 Favored 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.456 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -112.58 17.83 18.87 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.483 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -168.66 87.83 0.2 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.549 -1.344 . . . . 0.0 108.895 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.356 -0.84 . . . . 0.0 110.286 -178.13 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 30.3 t80 . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.601 ' O ' ' N ' ' A' ' 66' ' ' ASP . 14.4 ttt180 -56.4 -36.02 68.44 Favored 'General case' 0 C--O 1.204 -1.334 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 176.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -50.46 -45.14 55.94 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.51 -48.05 59.2 Favored Glycine 0 N--CA 1.498 2.797 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.26 -32.82 74.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.489 -1.006 . . . . 0.0 109.028 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 62' ' ' ARG . 37.0 t70 -55.63 -39.95 71.51 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 mt -66.24 -64.32 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.374 -0.829 . . . . 0.0 109.905 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 pp -54.19 -44.78 71.86 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.263 -0.898 . . . . 0.0 109.92 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.547 ' CG1' HH12 ' A' ' 34' ' ' ARG . 84.8 t -67.73 -19.38 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 120.65 -1.281 . . . . 0.0 110.457 178.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.23 -49.49 32.69 Favored Glycine 0 N--CA 1.494 2.561 0 C-N-CA 120.217 -0.992 . . . . 0.0 111.061 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -25.24 62.53 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.925 -1.338 . . . . 0.0 110.101 -179.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.9 mt -61.84 -57.74 10.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 120.932 -1.105 . . . . 0.0 108.165 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.3 p30 -60.01 -37.53 79.97 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.401 -0.812 . . . . 0.0 109.037 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.522 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 61.4 t0 -59.76 -20.31 55.81 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 117.513 -1.675 . . . . 0.0 107.753 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.83 -35.35 69.86 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.521 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.4 tt -58.59 -42.36 87.9 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -61.87 -48.1 82.02 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 122.4 1.095 . . . . 0.0 109.96 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.592 ' O ' ' N ' ' A' ' 81' ' ' GLU . 6.3 mp -62.64 -58.55 7.13 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.508 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.95 -34.1 1.58 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.083 -1.011 . . . . 0.0 110.043 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.673 ' ND2' ' HZ3' ' A' ' 27' ' ' LYS . 1.8 m120 -66.3 -28.36 68.63 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 78' ' ' LEU . 33.8 tt0 -85.71 3.29 41.81 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.41 39.65 6.28 Favored Glycine 0 N--CA 1.496 2.638 0 O-C-N 121.267 -0.896 . . . . 0.0 111.247 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -100.3 62.12 1.08 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.964 -1.315 . . . . 0.0 109.437 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.23 -41.36 86.61 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 O-C-N 121.5 -0.75 . . . . 0.0 110.499 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -50.23 20.0 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.025 -1.047 . . . . 0.0 110.279 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -40.76 97.46 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.72 -0.612 . . . . 0.0 110.277 -178.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.09 -47.9 82.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.003 -1.06 . . . . 0.0 109.87 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -64.0 -48.22 77.26 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.954 -1.091 . . . . 0.0 109.181 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.75 90.86 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.112 -0.993 . . . . 0.0 108.914 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.463 ' O ' ' CG ' ' A' ' 93' ' ' GLN . . . -60.55 -39.59 88.46 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.95 -43.0 77.04 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.989 -1.069 . . . . 0.0 108.155 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.09 -12.71 20.71 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.268 -0.895 . . . . 0.0 109.489 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.59 ' C ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -76.61 -32.06 57.82 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 178.409 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.9 tp -66.29 -46.91 75.36 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.081 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -53.84 -66.29 0.42 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.162 -0.962 . . . . 0.0 109.769 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 m -65.0 -30.75 71.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.146 -0.971 . . . . 0.0 110.936 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.563 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.5 m -49.42 -57.41 7.01 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.658 -1.276 . . . . 0.0 108.901 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 104' ' ' LYS . 1.4 mp -53.53 -54.49 18.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.204 -0.935 . . . . 0.0 109.335 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -50.47 73.85 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.652 -1.28 . . . . 0.0 110.641 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.19 -29.16 70.18 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.0 -1.063 . . . . 0.0 109.646 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.5 m-30 -73.04 -3.65 27.53 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.1 t30 88.19 65.35 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 -176.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.499 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.2 OUTLIER 47.29 54.9 8.86 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 -176.387 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 98' ' ' ILE . 29.6 tptt 59.0 -84.49 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.231 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.72 15.98 1.11 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.398 -1.439 . . . . 0.0 108.851 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.124 0 CA-C-O 118.045 -1.42 . . . . 0.0 109.647 -179.31 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 106.573 -1.639 . . . . 0.0 106.573 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.75 -24.37 52.99 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.671 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -58.45 -43.45 88.82 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 105.088 -2.189 . . . . 0.0 105.088 177.889 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.671 ' N ' HD21 ' A' ' 6' ' ' ASN . 2.9 m95 -58.48 -38.28 77.27 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -60.68 -46.01 91.98 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.476 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 m -55.08 -52.31 63.61 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.21 -34.46 78.14 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -55.34 -64.01 0.98 Allowed 'General case' 0 C--N 1.292 -1.93 0 O-C-N 120.678 -1.264 . . . . 0.0 109.609 -179.22 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.51 -21.88 11.37 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.894 -0.504 . . . . 0.0 109.832 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -67.77 -55.91 11.24 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 117.41 -1.716 . . . . 0.0 108.019 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.6 mm? -58.71 -31.25 68.09 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.977 0.894 . . . . 0.0 109.106 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -58.84 -53.96 52.46 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.816 -0.553 . . . . 0.0 110.916 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.582 ' O ' ' N ' ' A' ' 20' ' ' ALA . 4.8 t -66.87 -52.54 43.46 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 120.597 -1.314 . . . . 0.0 111.797 -178.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -45.81 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.343 0 O-C-N 119.945 -1.722 . . . . 0.0 107.887 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 5.3 mm-40 -60.97 -26.22 67.39 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' VAL . 16.9 mtpp -124.42 36.18 4.66 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.582 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -62.18 -33.44 74.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.679 -0.638 . . . . 0.0 111.041 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 1.7 m-20 72.11 -32.25 0.24 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.46 -0.775 . . . . 0.0 109.28 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.548 ' H ' ' C ' ' A' ' 20' ' ' ALA . 1.5 m-80 -152.74 149.04 27.95 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.213 -0.929 . . . . 0.0 109.555 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.7 -17.18 2.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.287 -0.883 . . . . 0.0 109.212 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.56 -56.64 7.63 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.065 -1.022 . . . . 0.0 109.905 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.448 ' CD ' HD21 ' A' ' 22' ' ' ASN . 1.8 mp0 -65.1 -10.85 33.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.929 -1.107 . . . . 0.0 110.413 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.8 t -71.31 -51.15 36.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -55.54 -38.45 69.31 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.793 0.806 . . . . 0.0 109.281 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.44 -61.51 2.44 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.53 71.42 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.827 -0.749 . . . . 0.0 110.659 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.52 -30.64 69.86 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.891 -1.131 . . . . 0.0 110.025 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 m -68.18 -34.22 75.9 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.461 -1.399 . . . . 0.0 108.357 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -71.45 -34.79 70.57 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.717 ' O ' ' N ' ' A' ' 37' ' ' ALA . 16.8 mtt -57.01 -47.74 80.12 Favored 'General case' 0 C--O 1.199 -1.571 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' NH2' ' O ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -44.61 -49.8 10.05 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.056 -1.027 . . . . 0.0 108.535 179.269 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.69 -57.88 5.04 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.426 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.27 -25.62 67.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.337 -0.852 . . . . 0.0 110.005 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.717 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -64.94 -69.45 0.29 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.195 -0.941 . . . . 0.0 110.322 -179.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.416 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 19.5 mt -63.38 -21.1 66.08 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.151 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.69 -39.88 95.4 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 106.025 -1.843 . . . . 0.0 106.025 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.93 -32.04 67.4 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -50.4 -37.93 40.23 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 177.707 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -100.02 9.24 43.2 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.385 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.79 75.68 0.22 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.748 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.581 ' O ' ' N ' ' A' ' 66' ' ' ASP . 23.2 ttt180 -54.77 -38.33 67.1 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 106.997 -1.482 . . . . 0.0 106.997 176.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -51.79 -36.34 47.28 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.24 -48.51 38.12 Favored Glycine 0 N--CA 1.502 3.035 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.06 -37.63 81.53 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 62' ' ' ARG . 19.5 t70 -46.12 -40.52 11.1 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.4 mt -65.94 -65.19 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.591 -0.693 . . . . 0.0 109.827 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' A' ' 69' ' ' VAL . 2.4 pp -56.24 -50.55 71.0 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.241 -0.912 . . . . 0.0 110.88 -178.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.404 ' O ' ' NH2' ' A' ' 34' ' ' ARG . 5.9 m -63.72 -17.25 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 120.331 -1.481 . . . . 0.0 110.308 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.46 -53.94 18.5 Favored Glycine 0 N--CA 1.497 2.75 0 O-C-N 121.244 -0.91 . . . . 0.0 110.925 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.68 -19.28 64.38 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.695 -1.473 . . . . 0.0 109.425 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.6 mt -60.96 -63.02 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.8 p30 -55.74 -34.61 65.32 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 64.2 t0 -58.31 -20.67 44.9 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 117.776 -1.569 . . . . 0.0 107.73 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.33 -36.04 68.74 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 73' ' ' ASP . 6.4 tt -58.36 -41.81 85.55 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 177.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -60.97 -47.26 87.26 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.636 1.207 . . . . 0.0 109.436 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.5 mp -64.56 -57.84 8.02 Favored 'General case' 0 C--N 1.287 -2.152 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.621 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.66 -35.47 2.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.212 -0.93 . . . . 0.0 110.082 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.6 m120 -65.26 -29.65 70.45 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.742 -1.223 . . . . 0.0 107.849 178.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 78' ' ' LEU . 29.1 tt0 -84.78 3.5 37.3 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.77 41.77 5.9 Favored Glycine 0 N--CA 1.498 2.812 0 O-C-N 121.199 -0.938 . . . . 0.0 111.346 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -99.02 64.56 1.41 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.954 -1.321 . . . . 0.0 109.182 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.9 t -60.93 -47.36 93.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.772 -0.58 . . . . 0.0 110.693 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -76.02 -50.98 13.32 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.024 -1.048 . . . . 0.0 110.27 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -42.64 99.3 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.282 -178.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.7 86.98 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.853 -1.155 . . . . 0.0 109.384 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.431 ' O ' ' OE2' ' A' ' 92' ' ' GLU . 24.6 mt-30 -64.44 -40.96 96.74 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.096 -1.003 . . . . 0.0 109.104 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.46 84.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.944 -1.098 . . . . 0.0 108.316 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.74 -24.46 65.73 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 88' ' ' GLN . . . -61.64 -51.0 70.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.533 -0.729 . . . . 0.0 109.151 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 88' ' ' GLN . 1.8 mp0 -59.93 -14.11 14.19 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.018 -1.051 . . . . 0.0 109.262 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.606 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -73.05 -40.71 64.86 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.207 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.5 tp -67.67 -39.78 84.47 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.864 -1.148 . . . . 0.0 109.898 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -54.46 -73.45 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.155 -0.966 . . . . 0.0 110.768 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.0 m -65.9 -17.77 64.88 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.682 -1.261 . . . . 0.0 110.755 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.606 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.3 m -50.43 -60.57 2.87 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.568 -1.332 . . . . 0.0 107.61 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.3 mp -55.14 -48.65 75.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.47 -0.769 . . . . 0.0 108.984 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 ttp85 -61.69 -49.64 75.69 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.521 -1.362 . . . . 0.0 110.712 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -64.45 -30.86 71.89 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.894 -1.129 . . . . 0.0 110.504 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.6 m-30 -70.41 -1.89 12.07 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.2 t30 89.82 61.77 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 104.553 -2.388 . . . . 0.0 104.553 -176.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.497 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.1 OUTLIER 46.27 55.47 7.29 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.549 -1.649 . . . . 0.0 106.549 -175.808 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 98' ' ' ILE . 36.9 tptt 59.46 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 114.148 -1.387 . . . . 0.0 109.352 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.26 18.76 1.73 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.575 -1.328 . . . . 0.0 108.161 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.141 0 CA-C-O 117.969 -1.462 . . . . 0.0 109.613 -179.217 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 4' ' ' GLU . 6.4 pm0 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.212 0.53 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 5' ' ' ASP . 62.4 t0 -74.61 -35.84 62.96 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.906 -1.121 . . . . 0.0 109.825 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.612 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -51.84 -41.66 61.98 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 178.482 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.612 ' N ' HD21 ' A' ' 6' ' ' ASN . 2.8 m95 -58.79 -39.88 82.36 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 177.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.45 -45.96 90.13 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 m -56.29 -52.46 64.43 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.26 -25.71 67.78 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.553 0.692 . . . . 0.0 109.355 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 7' ' ' TRP . 1.4 t-20 -64.14 -66.12 0.59 Allowed 'General case' 0 C--N 1.292 -1.928 0 O-C-N 120.847 -1.158 . . . . 0.0 109.988 -179.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -53.45 -20.56 4.86 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.553 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -64.03 -59.52 4.37 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 118.069 -1.452 . . . . 0.0 108.281 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.1 mm? -58.57 -34.62 71.26 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.475 -0.765 . . . . 0.0 109.279 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -56.04 -46.73 78.77 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.691 -0.63 . . . . 0.0 110.322 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.633 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.8 t -68.84 -58.36 6.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 120.768 -1.208 . . . . 0.0 111.048 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -48.3 -46.48 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 120.256 -1.527 . . . . 0.0 108.211 -179.184 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' OE2' ' NZ ' ' A' ' 95' ' ' LYS . 1.5 mm-40 -58.93 -30.34 67.78 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 16' ' ' VAL . 15.6 mtpp -127.18 38.9 4.0 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.53 -0.731 . . . . 0.0 110.081 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.633 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.95 -22.04 66.93 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.256 -0.903 . . . . 0.0 110.371 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.19 -34.38 0.27 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.43 -0.794 . . . . 0.0 109.19 -178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.768 HD21 HE22 ' A' ' 25' ' ' GLN . 6.9 m-80 -152.86 149.79 28.65 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.35 -0.844 . . . . 0.0 109.44 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.3 -15.72 0.42 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.913 . . . . 0.0 109.688 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -54.85 16.42 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.9 -1.125 . . . . 0.0 110.478 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.768 HE22 HD21 ' A' ' 22' ' ' ASN . 2.2 mt-30 -65.03 -15.73 62.65 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.844 -1.16 . . . . 0.0 110.114 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 t -69.93 -49.92 52.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -54.58 -38.41 66.68 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.831 0.824 . . . . 0.0 109.505 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -64.4 0.9 Allowed 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.803 -0.561 . . . . 0.0 110.17 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.83 -49.08 50.3 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.478 -0.764 . . . . 0.0 110.906 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.554 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 47.0 mt -57.89 -37.9 74.82 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.789 -1.194 . . . . 0.0 109.478 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.0 m -62.26 -33.31 74.37 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.285 -1.51 . . . . 0.0 109.029 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -73.28 -37.36 66.29 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.623 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -57.34 -42.24 81.6 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.293 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.554 ' NH1' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -49.71 -51.02 41.66 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 177.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.46 -54.52 13.89 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.99 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.22 -26.1 68.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.111 -0.993 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.623 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -64.85 -66.8 0.5 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 110.896 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.26 -19.96 56.99 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.047 -1.061 . . . . 0.0 109.358 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -62.52 -40.18 95.94 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.04 -29.42 69.72 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -44.37 33.71 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -100.98 15.25 29.29 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 121.255 0.55 . . . . 0.0 109.719 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.82 63.12 0.11 Allowed 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.646 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.7 t80 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 66' ' ' ASP . 19.8 ttp180 -54.67 -45.74 73.95 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -28.76 7.81 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.07 -50.11 19.09 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 108.107 -1.997 . . . . 0.0 108.107 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -71.87 -35.93 69.95 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.555 ' N ' ' O ' ' A' ' 62' ' ' ARG . 16.3 t0 -53.99 -39.8 66.37 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -178.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mm -66.73 -63.09 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.508 -0.745 . . . . 0.0 110.536 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.5 pp -52.99 -44.03 66.9 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.04 -1.038 . . . . 0.0 109.248 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -14.99 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 120.675 -1.266 . . . . 0.0 109.079 178.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.03 -60.94 4.89 Favored Glycine 0 N--CA 1.485 1.918 0 C-N-CA 119.818 -1.182 . . . . 0.0 111.59 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.505 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -70.06 -22.36 63.08 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.601 -1.529 . . . . 0.0 109.724 -178.599 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.6 mt -63.53 -59.78 3.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.984 -1.073 . . . . 0.0 108.294 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -57.23 -34.82 68.96 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -61.58 -20.74 63.65 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.206 -1.559 . . . . 0.0 107.808 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.1 -33.78 68.13 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 176.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.457 HD23 HD22 ' A' ' 80' ' ' ASN . 4.4 tt -58.3 -39.17 78.63 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 177.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -63.12 -46.26 88.11 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 122.347 1.07 . . . . 0.0 109.476 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.6 mp -64.4 -54.85 26.31 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.86 -32.61 2.71 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.063 -1.023 . . . . 0.0 109.799 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.457 HD22 HD23 ' A' ' 76' ' ' LEU . 2.4 m120 -63.19 -31.63 72.82 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' A' ' 78' ' ' LEU . 2.5 tp10 -84.84 3.83 36.0 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.7 47.58 5.3 Favored Glycine 0 N--CA 1.496 2.658 0 O-C-N 121.178 -0.951 . . . . 0.0 111.029 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -102.0 68.78 1.14 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.119 -1.224 . . . . 0.0 110.013 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.0 t -63.83 -40.15 88.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 O-C-N 121.698 -0.626 . . . . 0.0 110.114 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -55.29 6.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.11 -0.994 . . . . 0.0 110.385 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.56 -40.98 96.66 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.611 -0.68 . . . . 0.0 110.065 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.32 -50.5 67.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.059 -1.026 . . . . 0.0 110.328 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.418 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 25.8 mt-30 -62.33 -39.77 94.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.904 -1.123 . . . . 0.0 108.893 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.98 92.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.844 -1.16 . . . . 0.0 108.04 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.61 -20.72 61.43 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 88' ' ' GLN . . . -64.88 -52.65 55.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.664 -0.648 . . . . 0.0 109.565 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.89 -13.24 14.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.283 -0.886 . . . . 0.0 108.857 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.588 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.95 -40.04 61.0 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 178.589 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.6 tp -68.3 -45.02 74.14 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.278 -0.889 . . . . 0.0 109.126 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.424 ' NZ ' ' OE2' ' A' ' 18' ' ' GLU . 17.5 mttt -54.24 -66.61 0.37 Allowed 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.985 -1.072 . . . . 0.0 110.087 -179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -65.64 -23.42 66.8 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.124 -0.985 . . . . 0.0 110.662 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.588 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.5 m -50.03 -58.27 5.85 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.652 -1.28 . . . . 0.0 108.02 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 104' ' ' LYS . 1.4 mp -55.92 -55.52 17.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.585 -0.697 . . . . 0.0 109.284 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.572 ' HE ' ' C ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -58.65 -50.87 72.26 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.67 -1.269 . . . . 0.0 110.638 -179.097 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.89 -31.02 71.28 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.853 -1.154 . . . . 0.0 109.624 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.485 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.0 m-30 -72.52 -4.09 28.48 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.1 t30 88.97 63.8 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 104.56 -2.385 . . . . 0.0 104.56 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.438 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.5 OUTLIER 46.99 58.95 4.32 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 -175.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.405 ' N ' HG23 ' A' ' 98' ' ' ILE . 29.1 tptt 58.27 -80.75 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.22 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -144.37 5.34 1.25 Allowed 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.473 -1.392 . . . . 0.0 109.088 178.612 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 CA-C-O 117.937 -1.479 . . . . 0.0 109.591 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 120.791 0.329 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -75.96 -36.02 59.44 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.175 -1.578 . . . . 0.0 108.872 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.551 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -52.4 -39.75 61.29 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 178.489 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.551 ' N ' HD21 ' A' ' 6' ' ' ASN . 2.1 m95 -59.58 -38.27 80.74 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 5' ' ' ASP . 36.0 tt0 -57.9 -43.54 86.19 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.516 -0.74 . . . . 0.0 109.328 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.493 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.7 m -57.1 -54.5 46.05 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.13 -27.56 68.82 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.6 OUTLIER -60.89 -65.19 0.73 Allowed 'General case' 0 C--N 1.292 -1.925 0 O-C-N 120.699 -1.251 . . . . 0.0 110.058 -179.106 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.88 -19.3 6.28 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.875 -0.516 . . . . 0.0 109.874 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 9' ' ' THR . 11.2 m-80 -67.54 -57.96 5.55 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 117.748 -1.581 . . . . 0.0 108.469 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.476 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.7 mm? -57.16 -31.11 65.06 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.036 -1.04 . . . . 0.0 108.837 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -59.8 -48.53 81.3 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.692 -0.63 . . . . 0.0 110.557 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.5 t -68.49 -56.47 12.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 120.692 -1.255 . . . . 0.0 111.133 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -49.2 -45.41 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 O-C-N 120.302 -1.499 . . . . 0.0 107.938 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 11.4 mm-40 -59.76 -27.58 66.65 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 16' ' ' VAL . 9.1 mtpp -127.8 34.17 4.68 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.548 -0.72 . . . . 0.0 110.327 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.629 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.67 -21.07 66.64 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.011 -1.055 . . . . 0.0 110.535 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 19' ' ' LYS . 0.9 OUTLIER 69.11 -32.45 0.22 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.635 -0.666 . . . . 0.0 109.531 -178.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.568 ' H ' ' C ' ' A' ' 20' ' ' ALA . 4.4 m-80 -153.4 150.56 28.96 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.24 -0.913 . . . . 0.0 109.855 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.89 -13.84 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.93 . . . . 0.0 108.814 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.439 ' H ' ' C ' ' A' ' 22' ' ' ASN . . . -67.07 -61.12 2.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.231 -0.918 . . . . 0.0 110.113 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.49 HE22 HD21 ' A' ' 22' ' ' ASN . 1.0 OUTLIER -66.54 -10.5 45.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.889 -1.132 . . . . 0.0 110.292 -179.189 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.4 t -70.35 -58.87 4.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 120.859 -1.151 . . . . 0.0 108.165 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -57.2 -31.01 65.02 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.569 -0.707 . . . . 0.0 109.84 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.24 -61.31 2.44 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.124 -0.985 . . . . 0.0 109.051 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.41 -43.84 44.77 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.303 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.536 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 14.8 mt -60.93 -37.27 81.72 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.837 -1.164 . . . . 0.0 110.172 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -62.86 -29.14 70.52 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.675 -1.266 . . . . 0.0 108.35 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -72.48 -39.29 67.82 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.696 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.2 mtm -57.67 -42.58 83.86 Favored 'General case' 0 C--O 1.199 -1.586 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.551 HH12 ' CB ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -46.99 -47.27 22.0 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.899 -1.126 . . . . 0.0 108.081 178.792 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.1 -55.82 11.08 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.6 -19.05 65.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.433 -0.792 . . . . 0.0 109.884 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.696 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -65.41 -71.68 0.18 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.195 -0.941 . . . . 0.0 110.323 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.597 ' CD2' ' HE ' ' A' ' 62' ' ' ARG . 8.2 mt -64.16 -19.04 65.03 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.148 -1.021 . . . . 0.0 109.355 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -63.98 -40.89 97.41 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -59.0 -31.58 68.93 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.689 HE21 ' HZ1' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -47.71 -40.17 19.56 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 177.618 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.689 ' HZ1' HE21 ' A' ' 41' ' ' GLN . 36.2 mmtt -98.73 107.59 20.07 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 42' ' ' LYS . . . 80.58 73.42 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 122.132 0.967 . . . . 0.0 109.418 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.5 2.055 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.4 t80 . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.6 ' O ' ' N ' ' A' ' 66' ' ' ASP . 17.3 ttt180 -52.42 -36.11 53.55 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -51.32 -34.66 34.54 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.49 -48.66 42.74 Favored Glycine 0 N--CA 1.497 2.723 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 178.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -72.44 -43.32 63.96 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.393 -1.063 . . . . 0.0 108.27 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.6 ' N ' ' O ' ' A' ' 62' ' ' ARG . 50.0 t0 -46.93 -44.01 19.5 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.3 mm -62.33 -66.34 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.363 -0.836 . . . . 0.0 109.245 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -37.02 70.39 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.165 -0.959 . . . . 0.0 109.504 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.19 -21.11 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 120.859 -1.151 . . . . 0.0 110.169 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.5 -48.91 21.49 Favored Glycine 0 N--CA 1.495 2.606 0 O-C-N 121.117 -0.989 . . . . 0.0 110.967 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -71.57 -26.43 62.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.868 -1.372 . . . . 0.0 110.642 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 25.7 mt -60.55 -60.08 3.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 1.9 p30 -56.48 -32.0 64.58 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 48.1 t0 -61.95 -22.79 65.92 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 117.754 -1.579 . . . . 0.0 108.012 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.88 -34.86 72.03 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 105.777 -1.934 . . . . 0.0 105.777 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.423 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 5.1 tt -59.32 -42.34 91.18 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 106.773 -1.565 . . . . 0.0 106.773 177.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -62.47 -45.95 90.7 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 122.257 1.027 . . . . 0.0 110.001 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.7 mp -63.49 -52.88 59.38 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.88 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.8 -42.47 17.13 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.031 -1.043 . . . . 0.0 109.42 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' A' ' 80' ' ' ASN . 0.7 OUTLIER -61.76 -25.71 67.63 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.851 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 78' ' ' LEU . 66.2 tt0 -87.04 5.88 35.28 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.52 38.88 7.43 Favored Glycine 0 N--CA 1.497 2.723 0 O-C-N 121.378 -0.826 . . . . 0.0 111.392 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -100.28 68.96 1.45 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.936 -1.332 . . . . 0.0 109.808 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.7 t -63.53 -52.75 53.91 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 121.717 -0.614 . . . . 0.0 110.135 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.51 -49.69 21.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.22 -0.925 . . . . 0.0 110.405 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -57.08 -43.76 82.47 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.666 -0.646 . . . . 0.0 109.636 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.85 97.87 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.038 -1.039 . . . . 0.0 109.142 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.44 ' O ' ' OE2' ' A' ' 92' ' ' GLU . 28.2 mt-30 -64.76 -39.24 93.28 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.236 -0.915 . . . . 0.0 108.629 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.26 96.04 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.17 -22.2 65.7 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.29 -53.33 50.57 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.231 -0.918 . . . . 0.0 109.02 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' A' ' 88' ' ' GLN . 2.2 mp0 -58.64 -15.74 13.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.889 -1.132 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.597 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.06 -37.86 64.12 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.94 -41.2 82.89 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.885 0.85 . . . . 0.0 109.986 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -56.4 -65.67 0.57 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.711 -1.243 . . . . 0.0 109.296 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -65.6 -21.96 66.63 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.282 -0.886 . . . . 0.0 110.273 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.597 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 3.2 m -49.31 -57.93 5.96 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.577 -1.327 . . . . 0.0 108.328 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.442 HG21 ' N ' ' A' ' 104' ' ' LYS . 2.8 mp -58.76 -53.85 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.68 -0.637 . . . . 0.0 110.075 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -60.87 -50.14 74.62 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.688 -1.258 . . . . 0.0 110.777 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.0 -31.25 71.6 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.906 -1.121 . . . . 0.0 109.715 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.0 m-30 -72.09 -4.9 31.61 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.8 t30 88.7 66.11 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 -176.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.528 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.0 OUTLIER 46.88 54.79 8.67 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 -176.516 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.442 ' N ' HG21 ' A' ' 98' ' ' ILE . 22.2 tptp 60.06 -81.76 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 114.196 -1.365 . . . . 0.0 110.104 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.17 7.12 1.98 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.476 -1.39 . . . . 0.0 108.937 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 8' ' ' GLU . 1.5 p30 -76.13 -47.88 22.73 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.183 -0.948 . . . . 0.0 110.435 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.504 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -48.4 -38.74 20.35 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 179.211 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.504 ' N ' HD21 ' A' ' 6' ' ' ASN . 2.0 m95 -59.82 -40.97 90.21 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 5' ' ' ASP . 30.9 tt0 -57.66 -44.05 85.4 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.487 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.3 m -55.92 -54.33 46.07 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.09 -30.89 71.88 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -60.28 -64.71 0.86 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 120.927 -1.108 . . . . 0.0 109.814 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.41 -22.52 7.79 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.552 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 9' ' ' THR . 17.6 m-80 -70.56 -65.02 0.79 Allowed 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 118.485 -1.286 . . . . 0.0 108.735 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.1 mm? -53.54 -31.97 48.64 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.069 -1.019 . . . . 0.0 108.466 178.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -59.16 -50.95 72.08 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.419 0.628 . . . . 0.0 110.063 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.669 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.5 t -64.93 -52.62 51.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.059 -1.026 . . . . 0.0 110.455 -178.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -51.42 -49.78 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 119.987 -1.695 . . . . 0.0 107.485 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.51 -30.67 54.26 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -129.16 39.17 3.81 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.429 -0.795 . . . . 0.0 110.223 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.669 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -66.16 -24.76 66.71 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.053 -1.029 . . . . 0.0 110.962 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 70.08 -34.21 0.28 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.477 -0.764 . . . . 0.0 109.391 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.778 HD21 HE22 ' A' ' 25' ' ' GLN . 7.1 m-80 -152.99 152.18 31.11 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.246 -0.909 . . . . 0.0 109.68 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.69 -17.81 1.5 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 109.681 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.74 -54.67 20.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.962 -1.086 . . . . 0.0 110.39 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.778 HE22 HD21 ' A' ' 22' ' ' ASN . 2.2 mt-30 -65.45 -16.48 63.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.848 -1.158 . . . . 0.0 109.995 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 t -70.04 -53.36 24.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 107.489 -1.301 . . . . 0.0 107.489 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HG2' ' ND2' ' A' ' 80' ' ' ASN . 36.9 mtpt -56.34 -36.45 68.77 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.716 0.769 . . . . 0.0 109.867 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 -62.82 1.49 Allowed 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.789 -0.57 . . . . 0.0 109.946 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.95 -45.73 64.49 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.631 -0.668 . . . . 0.0 111.161 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.79 -34.33 72.89 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.934 -1.104 . . . . 0.0 110.175 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m -65.25 -32.74 74.56 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.703 -1.248 . . . . 0.0 108.473 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -73.12 -38.07 66.46 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.65 ' O ' ' N ' ' A' ' 37' ' ' ALA . 12.3 mtp -57.22 -40.61 77.86 Favored 'General case' 0 C--O 1.202 -1.422 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.651 ' N ' ' NH1' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -49.18 -49.87 40.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.804 -1.185 . . . . 0.0 107.823 178.819 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.64 65.04 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.08 -19.52 65.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.557 -0.715 . . . . 0.0 109.908 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.65 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.82 -75.24 0.1 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.162 -0.961 . . . . 0.0 110.557 -178.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -20.68 66.05 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 118.947 -1.101 . . . . 0.0 110.051 -178.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -61.92 -42.38 99.02 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.42 -30.11 68.24 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.406 ' O ' ' OE1' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -48.99 -38.2 22.55 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.272 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -84.72 -4.93 59.27 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.831 -0.543 . . . . 0.0 111.236 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.66 120.74 1.27 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.55 -1.344 . . . . 0.0 109.349 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.928 0 O-C-N 120.977 -1.077 . . . . 0.0 109.788 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.6 t80 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.584 ' O ' ' N ' ' A' ' 66' ' ' ASP . 12.4 ttp180 -54.94 -30.76 59.43 Favored 'General case' 0 C--O 1.203 -1.382 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -56.69 -38.78 72.74 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.77 -46.42 60.92 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -72.54 -42.69 64.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.532 -0.981 . . . . 0.0 109.03 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 62' ' ' ARG . 23.0 t0 -48.08 -43.51 30.69 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.63 -68.57 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 O-C-N 121.497 -0.752 . . . . 0.0 110.123 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.56 -36.74 62.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -0.935 . . . . 0.0 109.995 -178.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.1 t -67.61 -24.84 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.615 -1.303 . . . . 0.0 110.129 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.28 -44.96 63.1 Favored Glycine 0 N--CA 1.493 2.44 0 C-N-CA 120.276 -0.964 . . . . 0.0 110.708 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -23.55 61.36 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.822 -1.399 . . . . 0.0 110.206 -179.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.464 ' CG2' ' NH2' ' A' ' 34' ' ' ARG . 18.6 mt -60.57 -61.25 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -59.17 -30.76 68.43 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.805 -0.559 . . . . 0.0 109.912 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.97 -24.71 68.02 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 117.637 -1.625 . . . . 0.0 108.811 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.83 -33.86 71.11 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 176.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.408 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 4.7 tt -58.21 -39.96 80.36 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 177.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -64.29 -49.64 71.03 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 122.215 1.007 . . . . 0.0 110.079 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.3 mp -62.98 -56.36 17.76 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.705 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.01 -35.81 2.23 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.196 -0.94 . . . . 0.0 110.103 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.7 m120 -66.21 -29.23 69.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.881 -1.137 . . . . 0.0 107.998 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 78' ' ' LEU . 27.9 tt0 -84.91 7.57 20.57 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.0 39.13 7.59 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 121.324 -0.86 . . . . 0.0 111.838 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -101.42 59.52 0.88 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.841 -1.387 . . . . 0.0 109.837 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.1 t -58.77 -46.35 90.81 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 O-C-N 121.283 -0.886 . . . . 0.0 109.969 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -56.13 5.35 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.195 -0.941 . . . . 0.0 110.193 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.83 -40.91 76.91 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 121.75 -0.594 . . . . 0.0 109.547 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.1 97.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.035 -1.04 . . . . 0.0 108.83 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -64.73 -40.95 96.19 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.11 -0.994 . . . . 0.0 108.83 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.6 -40.19 82.56 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.14 -25.52 67.79 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.44 93.64 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.06 -16.37 63.38 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.436 -0.79 . . . . 0.0 109.058 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.555 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.72 -44.66 48.76 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.157 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.442 ' N ' ' HG3' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -70.77 -36.5 73.11 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 109.888 -179.617 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -57.59 -60.69 3.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.601 -1.312 . . . . 0.0 107.97 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 m -66.87 -24.74 66.16 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.433 -0.792 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.555 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 19.9 m -48.55 -56.02 9.49 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.833 -1.167 . . . . 0.0 108.38 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.409 HG21 ' N ' ' A' ' 104' ' ' LYS . 1.3 mp -57.93 -56.54 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -50.7 73.01 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.601 -1.312 . . . . 0.0 110.906 -179.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.88 -31.58 71.04 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.936 -1.103 . . . . 0.0 109.595 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.504 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.0 m-30 -72.04 -3.74 24.7 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.5 t30 88.46 65.32 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 -176.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.455 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.4 OUTLIER 46.82 58.28 4.86 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -176.096 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.409 ' N ' HG21 ' A' ' 98' ' ' ILE . 35.9 tptt 58.19 -77.81 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 114.55 -1.205 . . . . 0.0 109.416 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -143.84 9.32 1.52 Allowed 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.221 -1.549 . . . . 0.0 108.891 178.104 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 179.796 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 12.3 p-10 -75.85 -30.25 58.87 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.03 -1.044 . . . . 0.0 110.283 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.488 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -56.68 -43.0 80.02 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 178.584 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -56.82 -40.26 75.69 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -57.99 -43.72 86.75 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.528 -0.732 . . . . 0.0 109.246 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -55.4 -53.68 53.15 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.944 -1.098 . . . . 0.0 108.171 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.98 -26.88 68.48 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.556 0.693 . . . . 0.0 109.37 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.24 -63.42 1.31 Allowed 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.487 -1.383 . . . . 0.0 110.1 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.23 -23.29 14.13 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -65.65 -57.59 7.74 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 117.539 -1.664 . . . . 0.0 107.934 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.01 -34.32 65.7 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.835 0.826 . . . . 0.0 108.841 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -57.13 -52.57 64.79 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.647 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.9 t -67.7 -50.27 62.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 120.655 -1.278 . . . . 0.0 111.523 -178.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -51.06 -51.33 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 119.744 -1.848 . . . . 0.0 108.135 -179.33 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -56.12 -26.89 51.82 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -127.61 33.32 4.84 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.483 -0.761 . . . . 0.0 109.967 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.647 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -65.21 -27.16 68.48 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.168 -0.958 . . . . 0.0 110.809 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 70.94 -34.51 0.3 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.528 -0.732 . . . . 0.0 109.204 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.696 HD21 HE22 ' A' ' 25' ' ' GLN . 4.0 m-80 -152.48 150.77 29.97 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.421 -0.8 . . . . 0.0 109.169 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.02 -12.34 0.22 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.274 -0.891 . . . . 0.0 109.406 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.453 ' H ' ' C ' ' A' ' 22' ' ' ASN . . . -67.97 -56.9 7.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.119 -0.988 . . . . 0.0 109.976 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.696 HE22 HD21 ' A' ' 22' ' ' ASN . 2.3 mt-30 -66.24 -12.57 57.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.056 -1.027 . . . . 0.0 110.176 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.5 t -72.07 -51.79 28.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HG2' ' ND2' ' A' ' 80' ' ' ASN . 32.4 mtpt -52.77 -35.44 56.49 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.238 1.018 . . . . 0.0 108.716 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.86 -61.0 2.91 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.466 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.97 -55.92 25.44 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.397 -0.815 . . . . 0.0 111.659 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.73 -31.97 59.03 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.002 -1.061 . . . . 0.0 110.18 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 m -65.9 -32.59 74.17 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.821 -1.174 . . . . 0.0 109.167 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -73.13 -35.67 66.56 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.654 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.4 mtt -58.36 -39.83 80.6 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.45 HH22 HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -51.9 -47.67 64.49 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.622 -1.299 . . . . 0.0 107.854 178.671 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -54.29 15.22 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.037 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -18.12 64.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.464 -0.772 . . . . 0.0 109.521 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -67.82 -72.66 0.16 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.274 -0.891 . . . . 0.0 110.721 -178.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.19 -25.0 67.52 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 118.69 -1.204 . . . . 0.0 110.036 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.71 -37.9 88.33 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.09 -30.99 69.61 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -50.45 -40.38 50.45 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 178.126 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -91.47 8.69 35.2 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.596 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.52 92.28 0.62 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.04 -1.038 . . . . 0.0 108.555 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.917 0 O-C-N 121.259 -0.901 . . . . 0.0 108.637 -178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 64' ' ' GLY . 18.8 t80 . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.635 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -51.83 -34.41 40.31 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 175.683 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -53.45 -34.54 58.28 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -68.98 -50.82 32.17 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 108.786 -1.726 . . . . 0.0 108.786 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -72.42 -46.85 53.23 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.511 -0.993 . . . . 0.0 108.879 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.635 ' N ' ' O ' ' A' ' 62' ' ' ARG . 32.8 t70 -46.5 -44.84 18.02 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.625 -0.672 . . . . 0.0 109.194 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.67 -65.96 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.367 -0.833 . . . . 0.0 109.456 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.419 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -56.4 -40.52 74.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.115 -0.991 . . . . 0.0 109.157 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.45 HG13 HH22 ' A' ' 34' ' ' ARG . 70.2 t -68.01 -21.36 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.966 -1.084 . . . . 0.0 110.0 178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.16 -50.58 12.12 Favored Glycine 0 N--CA 1.5 2.919 0 O-C-N 121.056 -1.027 . . . . 0.0 112.183 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.513 ' NE2' ' C ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -71.63 -28.84 64.06 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.577 -1.543 . . . . 0.0 110.006 -178.525 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -58.74 -55.34 23.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.18 -0.95 . . . . 0.0 109.064 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.4 p30 -60.54 -37.5 81.43 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 26.2 t70 -60.05 -19.86 55.03 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 117.891 -1.524 . . . . 0.0 108.042 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.81 69.52 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' ASP . 4.2 tt -58.88 -41.53 87.32 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 177.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -61.9 -46.07 90.97 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 122.081 0.943 . . . . 0.0 109.435 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.5 mp -63.19 -52.04 63.94 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 121.711 -0.618 . . . . 0.0 109.575 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.69 -37.86 13.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.134 -0.979 . . . . 0.0 109.41 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.408 HD22 HD23 ' A' ' 76' ' ' LEU . 2.3 m120 -64.36 -26.22 68.38 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 78' ' ' LEU . 21.0 tp10 -85.44 6.06 28.41 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.99 37.23 9.38 Favored Glycine 0 N--CA 1.496 2.698 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.08 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -97.24 64.15 1.89 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.942 -1.328 . . . . 0.0 109.25 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.39 -53.29 50.86 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.016 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.581 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.79 -50.57 23.46 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.086 -1.009 . . . . 0.0 109.872 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.59 -45.84 81.17 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.71 98.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.058 -1.027 . . . . 0.0 108.739 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -63.88 -40.38 96.4 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.94 93.5 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.48 -23.56 66.98 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.07 -51.55 66.22 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.967 -1.083 . . . . 0.0 108.395 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -61.16 -13.13 15.57 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.179 -0.95 . . . . 0.0 110.564 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.618 ' C ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -78.42 -33.2 48.76 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 120.418 -1.426 . . . . 0.0 107.908 179.259 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.6 tp -67.66 -41.53 83.61 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.278 -0.889 . . . . 0.0 108.927 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -56.81 -68.65 0.2 Allowed 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.032 0.92 . . . . 0.0 109.658 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.429 ' H ' ' HG1' ' A' ' 96' ' ' THR . 1.6 m -63.49 -23.25 67.32 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.157 -0.965 . . . . 0.0 110.579 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.592 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.4 m -51.41 -65.27 0.58 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.449 -1.407 . . . . 0.0 108.449 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 104' ' ' LYS . 1.9 mp -49.32 -50.09 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.099 -1.0 . . . . 0.0 109.675 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -61.47 -50.58 72.18 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.573 -1.329 . . . . 0.0 110.805 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.62 -30.46 71.37 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.78 -1.2 . . . . 0.0 110.186 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.8 m-30 -71.57 -7.13 45.77 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.2 t30 92.38 65.98 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 104.924 -2.25 . . . . 0.0 104.924 -176.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.484 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.2 OUTLIER 45.75 53.02 9.14 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -176.431 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.429 ' N ' HG23 ' A' ' 98' ' ' ILE . 32.9 tptt 62.19 -86.61 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 113.867 -1.515 . . . . 0.0 109.566 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.55 15.59 1.44 Allowed 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.415 -1.428 . . . . 0.0 108.942 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.395 0 CA-C-O 118.049 -1.417 . . . . 0.0 109.687 -179.409 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 120.941 0.4 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 8' ' ' GLU . 33.5 p-10 -76.21 -51.58 11.79 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.89 -1.131 . . . . 0.0 110.97 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.61 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -48.55 -39.19 22.63 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 179.495 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.61 ' N ' HD21 ' A' ' 6' ' ' ASN . 3.5 m95 -59.29 -37.34 77.45 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 5' ' ' ASP . 49.4 tt0 -60.15 -49.26 78.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.432 -0.793 . . . . 0.0 108.984 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.6 m -53.51 -49.7 66.98 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.76 -30.52 71.61 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' TRP . 3.4 t-20 -61.97 -66.8 0.48 Allowed 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.537 -1.352 . . . . 0.0 110.025 -178.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -51.28 -20.79 1.8 Allowed 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -68.96 -62.3 1.44 Allowed 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 118.092 -1.443 . . . . 0.0 108.38 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.6 mm? -55.84 -33.16 64.25 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.055 -1.028 . . . . 0.0 108.734 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -55.89 -51.58 67.09 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.733 -0.604 . . . . 0.0 110.664 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.638 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.6 t -65.36 -54.83 24.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.779 -1.201 . . . . 0.0 110.915 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -48.97 -49.82 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 120.195 -1.566 . . . . 0.0 108.571 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.87 -23.86 54.97 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 16' ' ' VAL . 9.5 mtpp -129.53 33.47 4.48 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.466 -0.771 . . . . 0.0 110.391 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.69 -26.38 68.35 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.141 -0.974 . . . . 0.0 110.706 -178.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 69.29 -33.26 0.24 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.502 -0.749 . . . . 0.0 109.443 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.721 HD21 HE22 ' A' ' 25' ' ' GLN . 4.9 m-80 -152.38 151.96 31.47 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.366 -0.834 . . . . 0.0 109.48 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.87 -18.79 1.43 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.283 -0.886 . . . . 0.0 109.699 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.28 -54.78 24.01 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.977 -1.077 . . . . 0.0 110.733 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.721 HE22 HD21 ' A' ' 22' ' ' ASN . 1.6 mt-30 -65.11 -16.55 63.61 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.763 -1.211 . . . . 0.0 110.067 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.8 t -70.83 -49.91 47.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 120.823 -1.173 . . . . 0.0 107.892 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -56.37 -35.3 67.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.346 -0.846 . . . . 0.0 109.53 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.66 -62.42 1.67 Allowed 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.786 -0.571 . . . . 0.0 110.194 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.16 -47.9 65.2 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.511 -0.743 . . . . 0.0 111.335 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.7 mt -59.27 -31.03 68.72 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.759 -1.213 . . . . 0.0 110.034 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.9 m -68.27 -34.25 75.84 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.566 -1.334 . . . . 0.0 108.441 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -69.83 -36.31 75.49 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.665 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.8 mtt -55.44 -49.84 71.38 Favored 'General case' 0 C--O 1.202 -1.446 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.509 HH11 ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -41.2 -48.04 3.42 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.901 0.858 . . . . 0.0 108.925 179.117 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.26 -53.75 33.12 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.772 -0.771 . . . . 0.0 108.974 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.48 -19.1 65.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.458 -0.776 . . . . 0.0 110.291 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.665 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -64.05 -69.13 0.3 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.134 -0.978 . . . . 0.0 110.591 -178.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 4.8 mt -65.01 -24.06 67.4 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 118.827 -1.149 . . . . 0.0 110.027 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -60.66 -39.83 89.84 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.47 -27.51 69.18 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.449 ' C ' ' NE2' ' A' ' 41' ' ' GLN . 0.6 OUTLIER -47.39 -37.45 11.37 Favored 'General case' 0 N--CA 1.503 2.215 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.749 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -90.62 -75.96 0.45 Allowed 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.756 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.82 102.35 10.76 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.16 -0.963 . . . . 0.0 109.559 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' A' ' 64' ' ' GLY . 8.8 t80 . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 66' ' ' ASP . 9.3 tmm_? -52.37 -30.65 29.89 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.794 -1.188 . . . . 0.0 107.794 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -57.15 -33.9 67.88 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -70.86 -52.48 14.57 Favored Glycine 0 N--CA 1.497 2.713 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.39 -37.61 83.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.181 -1.188 . . . . 0.0 108.144 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 62' ' ' ARG . 24.9 t70 -50.58 -43.57 56.54 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.32 -66.22 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.404 -0.81 . . . . 0.0 109.988 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 pp -54.31 -35.49 62.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.259 -0.901 . . . . 0.0 109.68 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 t -67.28 -21.82 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 120.496 -1.377 . . . . 0.0 109.47 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.74 -49.96 21.45 Favored Glycine 0 N--CA 1.495 2.626 0 O-C-N 121.222 -0.924 . . . . 0.0 111.123 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -19.41 64.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.636 -1.508 . . . . 0.0 109.63 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.0 mt -61.04 -62.7 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -61.22 -32.93 72.7 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.572 -0.705 . . . . 0.0 110.41 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -60.78 -23.85 65.32 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 117.494 -1.682 . . . . 0.0 108.802 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.15 -35.49 74.07 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.45 HD22 HD22 ' A' ' 80' ' ' ASN . 4.5 tt -57.3 -40.37 77.69 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 177.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -62.88 -45.96 90.09 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 122.298 1.047 . . . . 0.0 109.754 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.593 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.9 mp -63.26 -58.35 7.44 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.604 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.82 -34.7 1.66 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.312 -0.868 . . . . 0.0 110.108 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.45 HD22 HD22 ' A' ' 76' ' ' LEU . 2.5 m120 -65.99 -27.62 68.27 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.776 -1.203 . . . . 0.0 107.918 178.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 78' ' ' LEU . 61.9 tt0 -86.02 3.74 40.96 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.48 39.69 6.24 Favored Glycine 0 N--CA 1.497 2.739 0 O-C-N 121.192 -0.942 . . . . 0.0 111.53 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -98.81 61.88 1.32 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.907 -1.349 . . . . 0.0 109.365 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.7 t -59.75 -48.74 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.597 -0.689 . . . . 0.0 110.377 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.436 ' HZ1' ' CB ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -74.11 -50.73 18.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.079 -1.013 . . . . 0.0 110.098 -179.004 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.3 -42.32 98.46 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.593 -0.692 . . . . 0.0 109.719 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.04 -46.0 92.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.03 -1.044 . . . . 0.0 109.239 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -63.36 -39.56 94.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.106 -0.996 . . . . 0.0 108.358 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.08 94.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.133 -0.979 . . . . 0.0 108.405 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.54 -23.73 66.15 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.22 -49.31 72.47 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.15 -13.09 32.91 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -0.852 . . . . 0.0 109.101 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.589 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.52 -41.35 60.78 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 178.762 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.443 ' N ' ' HG3' ' A' ' 93' ' ' GLN . 0.2 OUTLIER -70.68 -38.8 73.76 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.059 -179.647 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -53.73 -66.47 0.39 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.72 -1.238 . . . . 0.0 108.688 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 m -67.99 -17.64 64.49 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.304 -0.873 . . . . 0.0 110.731 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.589 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 14.8 m -50.11 -58.98 4.38 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.439 -1.413 . . . . 0.0 107.462 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 104' ' ' LYS . 2.1 mp -58.44 -50.06 80.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.85 -0.531 . . . . 0.0 109.753 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -50.92 71.93 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.305 -1.497 . . . . 0.0 111.029 -178.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.442 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -62.47 -34.09 76.13 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.992 -1.067 . . . . 0.0 110.573 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.531 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.3 m-30 -69.22 0.91 4.2 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.4 t30 88.77 59.31 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 104.984 -2.228 . . . . 0.0 104.984 -177.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.52 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.1 OUTLIER 48.3 56.32 7.59 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 -175.736 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.407 ' N ' HG22 ' A' ' 98' ' ' ILE . 22.2 tptt 63.89 -72.06 0.06 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 113.469 -1.696 . . . . 0.0 109.924 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.461 ' O ' ' OXT' ' A' ' 106' ' ' GLY . 0.2 OUTLIER -145.31 -28.41 0.45 Allowed 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.006 -1.684 . . . . 0.0 110.085 178.72 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.461 ' OXT' ' O ' ' A' ' 105' ' ' TYR . . . . . . . . 0 N--CA 1.494 2.551 0 CA-C-O 117.709 -1.606 . . . . 0.0 110.747 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 121.225 0.536 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 8' ' ' GLU . 34.8 p-10 -77.32 -53.24 7.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.998 -1.064 . . . . 0.0 110.668 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.574 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -48.62 -36.8 16.58 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.574 ' N ' HD21 ' A' ' 6' ' ' ASN . 2.6 m95 -59.49 -39.9 85.26 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 5' ' ' ASP . 26.9 tt0 -58.81 -47.29 85.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.58 -0.7 . . . . 0.0 109.335 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 m -54.4 -55.5 28.01 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.798 -1.189 . . . . 0.0 108.115 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp -65.22 -25.0 67.5 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.729 -0.607 . . . . 0.0 109.508 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 7' ' ' TRP . 1.1 t-20 -60.57 -66.22 0.56 Allowed 'General case' 0 C--N 1.293 -1.859 0 O-C-N 120.628 -1.295 . . . . 0.0 110.436 -178.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.1 -19.87 5.66 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.866 -0.521 . . . . 0.0 109.731 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -65.72 -53.5 39.95 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 117.545 -1.662 . . . . 0.0 108.493 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.0 mm? -59.96 -32.85 71.21 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.939 -1.101 . . . . 0.0 108.851 178.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -57.75 -50.73 72.24 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.806 -0.559 . . . . 0.0 110.958 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.632 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.4 t -65.29 -53.47 40.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 O-C-N 120.419 -1.426 . . . . 0.0 110.477 -178.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -50.72 -47.59 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 120.132 -1.605 . . . . 0.0 107.858 -179.399 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.44 -31.99 64.49 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' VAL . 8.9 mtpp -127.28 42.07 3.39 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.632 -0.668 . . . . 0.0 109.609 -178.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.632 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.38 -30.23 71.27 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.267 -0.896 . . . . 0.0 110.589 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 71.28 -34.32 0.3 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.486 -0.759 . . . . 0.0 109.179 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.761 HD21 HE22 ' A' ' 25' ' ' GLN . 11.2 m-80 -153.26 150.08 28.59 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.277 -0.889 . . . . 0.0 109.694 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.6 -20.6 3.13 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.303 -0.873 . . . . 0.0 109.822 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.25 -51.92 52.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.099 -1.001 . . . . 0.0 110.37 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.761 HE22 HD21 ' A' ' 22' ' ' ASN . 1.9 mt-30 -65.98 -15.45 63.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.939 -1.101 . . . . 0.0 110.455 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.6 t -70.22 -53.53 22.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' CE ' ' ND2' ' A' ' 80' ' ' ASN . 4.0 mtpm? -52.14 -35.24 47.89 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.901 0.858 . . . . 0.0 109.097 179.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.66 -62.13 2.1 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.58 -49.72 69.72 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.539 -0.725 . . . . 0.0 110.911 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.19 -32.19 68.01 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.866 -1.146 . . . . 0.0 109.89 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 m -67.25 -34.14 76.81 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.952 -1.093 . . . . 0.0 108.938 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -71.62 -37.97 70.83 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 178.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.703 ' O ' ' N ' ' A' ' 37' ' ' ALA . 5.1 mtt -55.66 -42.81 75.6 Favored 'General case' 0 C--O 1.199 -1.601 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 178.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.497 HH21 ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.63 -51.06 22.72 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.852 -1.155 . . . . 0.0 108.228 178.74 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.72 -53.73 17.1 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.549 0.69 . . . . 0.0 109.335 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.46 -21.31 66.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.422 -0.799 . . . . 0.0 109.819 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.703 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -65.06 -70.03 0.26 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.251 -0.905 . . . . 0.0 110.364 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' GLN . 6.4 mt -63.04 -25.02 68.19 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 118.961 -1.096 . . . . 0.0 108.923 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.77 -36.17 76.12 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 105.148 -2.167 . . . . 0.0 105.148 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.455 ' O ' ' CG2' ' A' ' 44' ' ' THR . . . -63.12 -28.42 70.05 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 176.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -50.31 -24.5 2.99 Favored 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 177.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 40' ' ' ALA . 1.3 mtpt -114.86 139.35 49.84 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.3 97.5 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.966 -1.083 . . . . 0.0 109.981 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 40' ' ' ALA . 15.7 p . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.318 -0.864 . . . . 0.0 109.341 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.2 t80 . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 66' ' ' ASP . 3.2 tmt_? -51.75 -35.11 42.2 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 177.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -54.17 -40.75 67.79 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.116 -0.99 . . . . 0.0 108.466 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.58 -47.16 80.22 Favored Glycine 0 N--CA 1.497 2.728 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -68.75 -35.5 77.17 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 62' ' ' ARG . 22.8 t70 -51.28 -47.61 62.47 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -177.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mt -64.17 -63.05 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.189 -0.944 . . . . 0.0 109.893 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -39.0 63.76 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.248 -0.907 . . . . 0.0 109.336 -178.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.497 ' CG1' HH21 ' A' ' 34' ' ' ARG . 34.1 t -68.23 -22.11 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.755 -1.215 . . . . 0.0 109.932 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.0 -52.64 13.2 Favored Glycine 0 N--CA 1.498 2.796 0 O-C-N 121.006 -1.058 . . . . 0.0 111.745 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -20.66 66.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.764 -1.433 . . . . 0.0 109.559 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 19.1 mt -60.16 -63.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 76' ' ' LEU . 2.2 p30 -59.88 -34.88 73.76 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.478 -0.764 . . . . 0.0 110.099 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 74' ' ' ASP . 31.5 t0 -60.17 -20.42 58.45 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 119.906 -1.746 . . . . 0.0 107.931 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.29 -34.86 68.48 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 176.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.485 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.0 tt -57.48 -39.25 75.99 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -63.2 -46.2 88.17 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.248 1.023 . . . . 0.0 109.711 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.7 mp -65.4 -55.43 18.14 Favored 'General case' 0 C--N 1.29 -1.993 0 O-C-N 121.779 -0.576 . . . . 0.0 109.981 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.27 -37.73 4.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.052 -1.03 . . . . 0.0 110.005 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.0 OUTLIER -64.86 -27.93 69.2 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 178.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 78' ' ' LEU . 28.7 tt0 -85.09 6.1 26.93 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.85 41.06 7.34 Favored Glycine 0 N--CA 1.497 2.742 0 O-C-N 121.134 -0.979 . . . . 0.0 111.136 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 20.0 mmtp -100.11 54.53 0.91 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.965 -1.315 . . . . 0.0 109.8 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 t -59.29 -39.87 79.94 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 O-C-N 121.522 -0.736 . . . . 0.0 109.334 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -52.29 10.14 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.165 -0.96 . . . . 0.0 109.895 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.15 -41.21 99.23 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -60.26 -46.03 91.24 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 0.0 109.296 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 24.8 mt-30 -64.2 -38.69 91.94 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.044 -1.035 . . . . 0.0 108.328 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.03 96.33 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.96 -22.88 64.88 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 88' ' ' GLN . . . -63.59 -47.52 81.14 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -63.0 -13.69 38.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.413 -0.805 . . . . 0.0 109.301 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.547 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -77.81 -43.22 31.18 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 179.374 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 60.1 tp -68.81 -41.32 78.82 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.375 -0.828 . . . . 0.0 109.607 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -56.24 -72.39 0.08 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.407 -0.808 . . . . 0.0 110.608 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -20.52 66.19 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.082 -1.011 . . . . 0.0 110.675 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.547 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.1 m -49.88 -58.87 4.54 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.583 -1.323 . . . . 0.0 107.696 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 104' ' ' LYS . 2.3 mp -56.5 -51.65 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 121.538 -0.726 . . . . 0.0 109.049 178.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -59.32 -51.12 71.28 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.627 -1.295 . . . . 0.0 110.699 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.24 -28.47 70.05 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.012 -1.055 . . . . 0.0 110.032 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.3 m-30 -71.59 -2.26 16.43 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.6 t30 89.56 61.03 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -177.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.523 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.2 OUTLIER 48.35 55.85 8.29 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 -176.051 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.411 ' N ' HG21 ' A' ' 98' ' ' ILE . 26.2 tptt 61.44 -83.73 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 113.609 -1.632 . . . . 0.0 108.941 -178.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.88 10.14 0.91 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.264 -1.523 . . . . 0.0 109.14 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.024 0 CA-C-O 117.882 -1.51 . . . . 0.0 109.773 -179.144 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -77.21 -28.51 53.85 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -41.49 87.88 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 105.72 -1.955 . . . . 0.0 105.72 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.4 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.2 m95 -59.88 -37.19 78.64 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.805 -1.088 . . . . 0.0 109.064 178.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -56.93 -44.78 82.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.36 -0.838 . . . . 0.0 109.62 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.465 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.0 m -54.72 -52.91 61.0 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 178.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.43 -26.84 68.14 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.65 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.4 OUTLIER -61.01 -66.3 0.56 Allowed 'General case' 0 C--N 1.29 -1.995 0 O-C-N 120.37 -1.456 . . . . 0.0 110.133 -178.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.04 -19.92 5.59 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.795 -0.566 . . . . 0.0 110.02 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 9' ' ' THR . 8.0 m-80 -65.28 -58.13 6.72 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 117.96 -1.496 . . . . 0.0 108.987 -178.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.489 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.3 mm? -58.58 -32.46 68.97 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.021 -1.049 . . . . 0.0 108.584 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -59.03 -47.12 86.37 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.809 -0.557 . . . . 0.0 109.878 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.611 ' O ' ' N ' ' A' ' 20' ' ' ALA . 21.8 t -68.33 -56.21 13.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 120.792 -1.193 . . . . 0.0 111.077 -178.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -50.36 -46.25 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.391 0 O-C-N 119.859 -1.776 . . . . 0.0 107.766 -179.587 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 5.6 mm-40 -56.16 -28.04 56.54 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 16' ' ' VAL . 12.1 mtpt -127.76 34.92 4.56 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.661 -0.65 . . . . 0.0 110.235 -178.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.611 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.1 -18.93 64.88 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.063 -1.023 . . . . 0.0 110.373 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 67.16 -36.15 0.27 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.594 -0.691 . . . . 0.0 109.857 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.721 HD21 HE22 ' A' ' 25' ' ' GLN . 15.5 m-80 -149.78 149.39 30.46 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.17 -0.956 . . . . 0.0 109.634 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.45 -17.92 2.32 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.422 -0.799 . . . . 0.0 110.005 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.91 -52.52 42.28 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.824 -1.172 . . . . 0.0 109.951 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.721 HE22 HD21 ' A' ' 22' ' ' ASN . 1.4 mt-30 -65.69 -18.18 65.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.996 -1.065 . . . . 0.0 110.068 -179.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 t -67.36 -47.63 80.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -55.12 -45.62 75.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.36 -0.837 . . . . 0.0 109.535 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -60.42 -64.43 0.95 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.221 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' ASP . . . -40.12 -53.75 2.39 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.146 0.498 . . . . 0.0 111.189 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.12 -36.61 77.86 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.964 -1.085 . . . . 0.0 109.792 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.7 m -63.92 -29.19 70.38 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.763 -1.211 . . . . 0.0 108.039 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -71.72 -40.21 69.61 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.688 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.0 mtm -57.99 -47.99 81.36 Favored 'General case' 0 C--O 1.2 -1.532 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -39.22 -50.0 1.91 Allowed 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.839 0.828 . . . . 0.0 108.902 179.089 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -51.46 58.65 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.24 -20.25 65.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.22 -0.925 . . . . 0.0 109.343 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.688 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.71 -71.18 0.21 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.461 -0.775 . . . . 0.0 110.479 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.19 -18.31 63.35 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 118.944 -1.102 . . . . 0.0 109.217 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -63.16 -41.53 99.27 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.86 -29.27 69.43 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -48.59 -36.73 16.26 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 106.957 -1.498 . . . . 0.0 106.957 178.216 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -84.58 -76.98 0.29 Allowed 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.28 103.24 14.69 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.042 -1.036 . . . . 0.0 109.808 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.934 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.2 t80 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 66' ' ' ASP . 3.4 ttm180 -55.18 -34.95 64.31 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 176.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 62' ' ' ARG . 73.3 t60 -49.77 -31.25 11.11 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.34 -54.39 11.01 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 108.773 -1.731 . . . . 0.0 108.773 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' ASP . 4.3 m-85 -70.07 -44.29 69.42 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.147 -1.208 . . . . 0.0 108.773 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 62' ' ' ARG . 10.5 t70 -42.17 -41.51 2.7 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.476 0.655 . . . . 0.0 109.277 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mm -67.36 -62.32 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 O-C-N 121.208 -0.932 . . . . 0.0 110.513 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.0 pp -57.33 -46.88 82.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.835 -1.166 . . . . 0.0 110.956 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.2 m -62.77 -18.58 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.126 -1.609 . . . . 0.0 109.76 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.43 -44.11 75.01 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.658 ' NE2' ' OE1' ' A' ' 93' ' ' GLN . 0.4 OUTLIER -71.69 -28.05 63.45 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.72 -1.459 . . . . 0.0 109.73 -179.855 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.43 -54.75 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.51 -35.92 73.0 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.56 -23.58 64.74 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 117.552 -1.659 . . . . 0.0 108.839 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.67 -32.59 68.03 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 177.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.481 HD22 HD22 ' A' ' 80' ' ' ASN . 4.4 tt -59.73 -37.9 80.19 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 177.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -64.7 -46.24 83.21 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 122.32 1.057 . . . . 0.0 110.02 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.636 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.4 mp -62.83 -61.02 2.69 Favored 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.787 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.96 -31.72 0.55 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.171 -0.956 . . . . 0.0 110.169 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.481 HD22 HD22 ' A' ' 76' ' ' LEU . 2.9 m120 -66.09 -29.34 69.65 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.636 ' N ' ' O ' ' A' ' 78' ' ' LEU . 27.1 tp10 -84.38 0.43 49.38 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.19 45.23 5.11 Favored Glycine 0 N--CA 1.498 2.786 0 O-C-N 120.947 -1.096 . . . . 0.0 111.614 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 17.9 mmtt -101.5 70.61 1.3 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.984 -1.303 . . . . 0.0 108.951 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.62 -55.39 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.423 -0.798 . . . . 0.0 111.234 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -48.92 41.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.822 -1.174 . . . . 0.0 109.999 -178.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.37 -44.03 95.99 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.469 -0.769 . . . . 0.0 109.938 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -63.6 -42.8 98.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.882 -1.136 . . . . 0.0 108.869 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.4 -41.41 93.69 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.42 83.5 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.14 -30.27 71.18 Favored 'General case' 0 C--O 1.205 -1.262 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.94 92.42 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.83 -1.169 . . . . 0.0 108.355 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -69.81 -16.73 63.33 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.797 -1.19 . . . . 0.0 110.796 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.658 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -76.89 -30.3 56.13 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 179.157 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.559 ' CD2' ' SD ' ' A' ' 33' ' ' MET . 28.4 tp -68.33 -42.82 78.75 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.956 0.884 . . . . 0.0 108.916 177.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -55.41 -68.89 0.16 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.388 -0.82 . . . . 0.0 109.578 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -16.99 64.72 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.274 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.628 ' HG1' ' NE2' ' A' ' 93' ' ' GLN . 1.4 m -52.08 -58.51 6.34 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.154 -1.591 . . . . 0.0 107.634 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 104' ' ' LYS . 2.6 mp -58.21 -49.28 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.151 -0.968 . . . . 0.0 108.734 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -60.74 -49.14 78.7 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 120.668 -1.27 . . . . 0.0 110.778 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.478 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -64.94 -32.96 74.93 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.008 -1.058 . . . . 0.0 110.633 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.466 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.0 m-30 -68.1 -2.5 7.98 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.478 ' H ' ' C ' ' A' ' 100' ' ' ALA . 1.7 t30 89.16 68.25 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 104.476 -2.416 . . . . 0.0 104.476 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.53 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.0 OUTLIER 42.95 55.65 4.35 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -176.219 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 98' ' ' ILE . 4.3 tptp 62.15 -88.5 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 114.058 -1.428 . . . . 0.0 109.554 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.1 17.4 1.92 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.453 -1.405 . . . . 0.0 109.502 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.478 -179.491 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.096 0.474 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 8' ' ' GLU . 26.1 t0 -77.41 -44.58 28.7 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.83 -1.169 . . . . 0.0 110.529 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -51.66 -38.35 54.51 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 179.169 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.7 m95 -60.27 -35.99 76.8 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 177.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 5' ' ' ASP . 31.9 tt0 -58.95 -49.92 76.01 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.431 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 6.1 m -53.44 -52.66 58.74 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.42 -26.6 68.58 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.441 0.639 . . . . 0.0 109.523 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.6 OUTLIER -64.42 -67.11 0.46 Allowed 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.693 -1.255 . . . . 0.0 109.947 -179.106 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -52.95 -17.69 1.56 Allowed 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.676 -179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 9' ' ' THR . 7.2 m-80 -66.87 -58.69 4.51 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 117.819 -1.552 . . . . 0.0 108.18 -179.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.458 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.7 mm? -57.41 -35.6 70.26 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.066 -1.021 . . . . 0.0 108.888 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -52.8 -51.34 61.15 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.7 -0.625 . . . . 0.0 110.896 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.622 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.3 t -66.38 -53.49 35.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 O-C-N 120.695 -1.253 . . . . 0.0 110.95 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.29 -51.59 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.154 -1.591 . . . . 0.0 108.665 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -57.09 -20.33 24.73 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.108 -1.037 . . . . 0.0 108.282 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 16' ' ' VAL . 19.4 mtpt -129.56 31.44 4.78 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.428 -0.795 . . . . 0.0 110.359 -179.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.622 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -63.53 -25.2 68.14 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.912 -1.118 . . . . 0.0 110.682 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 69.5 -31.92 0.22 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.489 -0.757 . . . . 0.0 109.664 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.635 HD21 HE22 ' A' ' 25' ' ' GLN . 4.9 m-80 -152.74 152.15 31.34 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.069 -1.019 . . . . 0.0 109.79 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.12 -18.02 1.3 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.247 -0.908 . . . . 0.0 109.264 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -58.9 4.3 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.135 -0.978 . . . . 0.0 110.376 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.635 HE22 HD21 ' A' ' 22' ' ' ASN . 0.9 OUTLIER -66.6 -11.46 53.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.831 -1.168 . . . . 0.0 110.513 -178.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -69.96 -60.4 2.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 120.875 -1.14 . . . . 0.0 108.261 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -58.25 -29.0 65.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.398 -0.814 . . . . 0.0 110.126 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -61.37 -60.69 3.34 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.942 -1.099 . . . . 0.0 108.592 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.32 -42.87 61.51 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.491 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.57 -35.96 79.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.765 -1.209 . . . . 0.0 110.03 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.6 m -63.46 -29.58 70.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.702 -1.249 . . . . 0.0 108.158 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -73.43 -38.74 65.44 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.658 ' O ' ' N ' ' A' ' 37' ' ' ALA . 2.4 mtt -58.17 -42.05 85.2 Favored 'General case' 0 C--O 1.202 -1.421 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -46.46 31.56 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 178.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.67 -52.23 40.41 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.41 -20.76 66.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.43 -0.794 . . . . 0.0 109.69 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.658 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.6 -73.1 0.14 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.885 . . . . 0.0 110.797 -178.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 5.8 mt -63.53 -26.81 68.88 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.619 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.11 -39.13 85.13 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 43' ' ' ALA . . . -60.31 -31.73 70.54 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.431 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -45.98 -39.3 8.8 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -92.14 7.88 40.46 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.535 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -164.06 107.11 0.94 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 N--CA 1.487 1.381 0 O-C-N 121.419 -0.801 . . . . 0.0 109.762 -177.692 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.3 t80 . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.577 ' O ' ' N ' ' A' ' 66' ' ' ASP . 20.7 ttp180 -55.41 -37.55 67.76 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 176.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -51.14 -41.96 60.44 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.15 -44.27 77.16 Favored Glycine 0 N--CA 1.501 3.027 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -70.15 -37.87 75.35 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 62' ' ' ARG . 16.8 t70 -49.09 -40.78 33.25 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 mt -66.35 -64.97 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.293 -0.879 . . . . 0.0 109.3 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 pp -55.59 -41.32 73.24 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.657 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.06 -24.98 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 120.892 -1.13 . . . . 0.0 110.155 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.65 -45.18 36.82 Favored Glycine 0 N--CA 1.495 2.586 0 O-C-N 121.125 -0.984 . . . . 0.0 111.396 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.556 ' NE2' ' OE1' ' A' ' 93' ' ' GLN . 1.6 pt20 -70.6 -28.48 64.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.762 -1.434 . . . . 0.0 110.539 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.3 -55.46 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 76' ' ' LEU . 23.9 t0 -58.08 -40.1 80.2 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.492 -0.755 . . . . 0.0 109.002 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.93 -20.56 24.17 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 117.473 -1.691 . . . . 0.0 108.408 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.01 -35.23 69.38 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.545 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 7.1 tt -58.27 -39.5 79.39 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -63.73 -45.5 89.6 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 122.337 1.065 . . . . 0.0 109.865 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.548 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.1 mp -62.88 -57.86 9.37 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.495 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.72 -37.82 9.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.177 -0.952 . . . . 0.0 109.797 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 2.3 m120 -59.96 -27.65 66.99 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 78' ' ' LEU . 71.7 tt0 -86.65 3.39 44.81 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.3 37.94 7.99 Favored Glycine 0 N--CA 1.495 2.611 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.385 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -95.66 65.84 2.67 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.817 -1.402 . . . . 0.0 109.615 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.57 -44.27 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.261 -0.9 . . . . 0.0 110.497 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -54.07 9.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.224 -0.922 . . . . 0.0 110.177 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -42.07 91.74 Favored 'General case' 0 C--N 1.29 -1.998 0 O-C-N 121.764 -0.585 . . . . 0.0 109.637 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.34 92.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.004 -1.06 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.13 -47.01 78.62 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.232 -0.917 . . . . 0.0 108.751 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.19 97.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.093 -1.004 . . . . 0.0 108.489 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.02 -25.69 67.08 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.72 99.54 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -65.62 -12.66 55.22 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.57 -0.706 . . . . 0.0 109.76 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.654 ' C ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -78.23 -33.02 50.09 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 178.626 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.491 ' CD2' ' SD ' ' A' ' 33' ' ' MET . 21.5 tp -67.42 -47.34 70.52 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -54.6 -67.7 0.25 Allowed 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 121.705 0.764 . . . . 0.0 110.029 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.4 m -62.83 -29.25 70.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.24 -0.912 . . . . 0.0 110.56 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.654 ' HG1' HE22 ' A' ' 93' ' ' GLN . 1.3 m -49.95 -55.64 13.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.813 -1.179 . . . . 0.0 108.676 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.76 -56.05 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.356 -0.84 . . . . 0.0 109.072 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -56.04 -50.93 69.55 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.527 -1.358 . . . . 0.0 110.686 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -61.1 -30.36 70.31 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.844 -1.16 . . . . 0.0 109.279 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.573 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 3.3 m-30 -77.5 18.47 0.43 Allowed 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASN . . . . . 0.573 ' ND2' ' O ' ' A' ' 101' ' ' TYR . 1.6 m-80 74.52 58.85 0.07 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -178.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.529 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.1 OUTLIER 47.36 54.56 9.38 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 105.085 -2.191 . . . . 0.0 105.085 -175.662 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 101' ' ' TYR . 32.6 tptt 66.1 -70.72 0.1 Allowed 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 113.498 -1.683 . . . . 0.0 109.277 -177.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.17 27.59 0.68 Allowed 'General case' 0 C--N 1.292 -1.918 0 O-C-N 119.758 -1.839 . . . . 0.0 107.634 177.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 CA-C-O 118.016 -1.435 . . . . 0.0 109.6 -179.048 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.639 0.733 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.538 ' CG ' ' H ' ' A' ' 3' ' ' LEU . 28.0 t0 -81.02 -159.13 0.23 Allowed 'General case' 0 N--CA 1.494 1.775 0 CA-C-O 121.615 0.721 . . . . 0.0 110.302 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.538 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 4.4 mm? -48.38 -34.22 10.41 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.687 -0.633 . . . . 0.0 109.976 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.31 -28.33 62.98 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.306 -0.871 . . . . 0.0 109.932 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 8' ' ' GLU . 13.7 t0 -75.13 -40.93 59.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.087 -1.008 . . . . 0.0 110.648 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.499 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -49.87 -40.6 43.16 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 179.143 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.499 ' N ' HD21 ' A' ' 6' ' ' ASN . 2.6 m95 -60.25 -39.56 87.19 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 5' ' ' ASP . 35.7 tt0 -59.76 -49.4 77.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.599 -0.688 . . . . 0.0 109.409 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.4 m -51.79 -50.37 60.87 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -27.99 69.57 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.281 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.401 ' C ' ' N ' ' A' ' 13' ' ' ASN . 1.8 t-20 -63.95 -67.78 0.4 Allowed 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.454 -1.404 . . . . 0.0 110.08 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.17 -19.76 0.85 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 11' ' ' ASN . 6.1 m-80 -68.65 -61.71 1.7 Allowed 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 117.987 -1.485 . . . . 0.0 108.27 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.2 mm? -53.57 -33.81 56.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.05 -1.031 . . . . 0.0 108.689 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -58.48 -51.13 71.16 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.579 -0.7 . . . . 0.0 110.691 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.654 ' O ' ' N ' ' A' ' 20' ' ' ALA . 38.4 t -67.54 -56.01 14.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.851 -1.156 . . . . 0.0 111.255 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -50.29 -44.32 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.417 0 O-C-N 120.043 -1.661 . . . . 0.0 107.472 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 4.7 mm-40 -59.63 -32.96 70.91 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' VAL . 13.7 mtpp -125.09 36.16 4.64 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.492 -0.755 . . . . 0.0 110.038 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.5 -19.12 65.39 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.291 -0.881 . . . . 0.0 110.14 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 19' ' ' LYS . 1.5 m-20 66.42 -32.95 0.18 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.517 -0.74 . . . . 0.0 109.604 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.671 HD21 HE22 ' A' ' 25' ' ' GLN . 6.0 m-80 -152.97 152.13 31.08 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.171 -0.955 . . . . 0.0 109.438 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.8 -14.78 0.4 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.935 . . . . 0.0 109.759 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.99 -57.58 5.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.008 -1.058 . . . . 0.0 110.503 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.671 HE22 HD21 ' A' ' 22' ' ' ASN . 1.8 mt-30 -65.02 -13.52 58.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.838 -1.164 . . . . 0.0 110.067 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.7 t -70.81 -51.64 34.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -55.15 -37.45 66.98 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.844 0.831 . . . . 0.0 109.177 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.425 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 1.3 t0 -60.87 -62.8 1.59 Allowed 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.89 -49.83 48.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.659 -0.651 . . . . 0.0 110.812 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.3 mt -58.94 -35.69 73.53 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.029 -1.044 . . . . 0.0 110.048 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.3 m -64.15 -30.39 71.46 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.89 -1.131 . . . . 0.0 108.879 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.425 ' NZ ' ' OD1' ' A' ' 28' ' ' ASP . 5.4 mmtt -73.78 -42.13 61.45 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.681 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -54.4 -39.0 66.86 Favored 'General case' 0 C--O 1.2 -1.525 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.401 HH21 ' HB3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -51.31 -48.71 62.27 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 177.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.58 -54.02 23.34 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -22.4 66.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.398 -0.814 . . . . 0.0 109.672 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.82 -73.93 0.12 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.247 -0.908 . . . . 0.0 110.891 -178.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 8.7 mt -62.63 -23.89 67.31 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.289 -0.964 . . . . 0.0 109.482 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.24 -39.64 91.05 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.94 -25.79 67.8 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -47.08 -40.94 16.2 Favored 'General case' 0 N--CA 1.505 2.31 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 178.297 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -111.84 25.62 11.44 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.353 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -166.13 68.02 0.11 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.975 -1.078 . . . . 0.0 108.644 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.423 ' C ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -123.59 154.49 66.53 Favored Pre-proline 0 N--CA 1.497 1.884 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -178.7 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -33.1 -40.32 0.12 Allowed 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 122.454 2.102 . . . . 0.0 114.422 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' A' ' 48' ' ' LEU . 17.1 Cg_endo -96.77 2.41 1.82 Allowed 'Trans proline' 0 C--N 1.317 -1.115 0 C-N-CA 122.712 2.275 . . . . 0.0 111.893 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.656 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 41.95 19.65 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.668 -0.645 . . . . 0.0 109.965 -179.413 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' A' ' 46' ' ' PRO . 1.5 tm? 43.2 -84.2 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.656 ' N ' ' O ' ' A' ' 47' ' ' LYS . 21.4 mp0 -63.54 102.4 0.43 Allowed 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.811 -1.18 . . . . 0.0 108.344 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -90.94 -3.79 57.02 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.71 ' CG ' ' H ' ' A' ' 52' ' ' SER . 4.9 pttp -165.67 -74.51 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.71 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 3.7 m -175.41 61.8 0.22 Allowed Pre-proline 0 C--N 1.307 -1.267 0 O-C-N 121.226 -0.921 . . . . 0.0 109.135 178.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -51.7 -69.2 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.176 1.917 . . . . 0.0 111.584 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 55' ' ' SER . 39.0 m-20 -138.7 -58.84 0.62 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 60.4 p 115.17 -43.67 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.578 0 C-N-CA 123.761 0.824 . . . . 0.0 111.377 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.523 ' C ' ' H ' ' A' ' 58' ' ' MET . 6.1 Cg_exo -79.99 -39.67 0.27 Allowed 'Trans proline' 0 N--CA 1.489 1.212 0 CA-C-N 121.337 1.513 . . . . 0.0 109.72 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.76 -1.0 0.12 Allowed 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.523 ' H ' ' C ' ' A' ' 56' ' ' PRO . 3.1 ttp -67.18 -57.82 6.02 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.94 -1.1 . . . . 0.0 109.24 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 10.9 tptt -52.23 -35.0 48.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.131 -1.606 . . . . 0.0 108.71 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 63' ' ' HIS . 2.0 m-20 -57.15 -37.83 72.63 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -55.51 -34.7 64.87 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.618 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -54.81 -36.71 65.26 Favored 'General case' 0 C--O 1.2 -1.516 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 176.571 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.469 ' N ' ' O ' ' A' ' 60' ' ' ASP . 17.8 t60 -51.05 -43.58 60.96 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.66 -49.62 54.3 Favored Glycine 0 N--CA 1.5 2.916 0 N-CA-C 108.894 -1.682 . . . . 0.0 108.894 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.95 -33.33 75.58 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.618 ' N ' ' O ' ' A' ' 62' ' ' ARG . 9.9 t0 -56.08 -37.15 68.95 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.4 mt -65.43 -67.37 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.464 -0.772 . . . . 0.0 109.325 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.481 ' CD2' ' HZ1' ' A' ' 104' ' ' LYS . 2.3 pp -54.55 -45.85 73.52 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.388 -0.82 . . . . 0.0 109.687 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.8 t -65.98 -18.84 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.784 -1.197 . . . . 0.0 110.269 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.86 -49.43 42.17 Favored Glycine 0 N--CA 1.493 2.436 0 C-N-CA 119.991 -1.1 . . . . 0.0 110.956 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.422 ' OE1' ' OE1' ' A' ' 93' ' ' GLN . 1.8 pt20 -72.0 -22.61 61.39 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.807 -1.408 . . . . 0.0 110.658 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 83.7 mt -61.22 -61.68 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.437 -1.414 . . . . 0.0 107.797 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -56.45 -32.77 65.24 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -62.3 -21.83 65.56 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.576 -1.649 . . . . 0.0 107.997 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.51 -34.38 70.04 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.91 -39.52 85.71 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -63.97 -46.55 84.15 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 122.502 1.144 . . . . 0.0 109.542 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.5 mp -63.92 -55.7 20.69 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.642 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.04 -37.08 6.27 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.128 -0.983 . . . . 0.0 109.713 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -64.49 -27.71 69.16 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.581 ' N ' ' O ' ' A' ' 78' ' ' LEU . 27.0 tt0 -86.05 4.74 36.68 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.58 40.17 6.46 Favored Glycine 0 N--CA 1.497 2.707 0 O-C-N 121.128 -0.983 . . . . 0.0 111.54 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -101.15 66.72 1.14 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.939 -1.33 . . . . 0.0 109.416 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.1 t -62.76 -58.49 7.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 O-C-N 121.645 -0.659 . . . . 0.0 110.598 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -47.21 59.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.219 -0.926 . . . . 0.0 109.78 -178.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.33 -47.01 87.01 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 121.76 -0.587 . . . . 0.0 109.87 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.36 90.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.933 -1.104 . . . . 0.0 108.688 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.86 -41.05 96.0 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.19 96.36 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.5 -21.72 62.74 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.09 -50.15 67.23 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.273 -0.892 . . . . 0.0 109.338 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.71 -12.82 18.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.097 -1.002 . . . . 0.0 109.101 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.614 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.93 -39.85 61.15 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 178.46 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 57.1 tp -67.13 -41.52 86.01 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.437 -0.789 . . . . 0.0 109.112 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -57.55 -63.11 1.35 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.101 -0.999 . . . . 0.0 109.199 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 m -65.41 -25.48 67.56 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.369 -0.832 . . . . 0.0 110.473 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.614 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 4.9 m -49.64 -58.42 5.3 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.694 -1.254 . . . . 0.0 108.302 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.439 HG22 ' N ' ' A' ' 104' ' ' LYS . 1.3 mp -57.61 -55.74 19.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.66 -0.65 . . . . 0.0 109.914 179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.524 ' O ' ' NE ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -57.99 -49.48 76.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.726 -1.234 . . . . 0.0 110.862 -179.056 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.48 -35.92 77.05 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.988 -1.07 . . . . 0.0 109.522 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.488 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.1 m-30 -69.57 -5.0 21.53 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.5 t30 90.62 66.34 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 -176.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.546 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.0 OUTLIER 47.36 54.84 9.01 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -176.606 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 30.5 tptt 63.21 -95.03 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 113.897 -1.501 . . . . 0.0 108.744 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 104' ' ' LYS . 22.2 m-85 -145.71 20.6 1.48 Allowed 'General case' 0 N--CA 1.503 2.225 0 O-C-N 119.636 -1.915 . . . . 0.0 109.914 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.398 0 CA-C-O 118.067 -1.407 . . . . 0.0 109.657 179.556 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.405 0.622 . . . . 0.0 109.746 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -157.37 4.04 0.13 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.435 -0.791 . . . . 0.0 110.061 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.48 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.36 -16.1 42.87 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' GLU . 12.4 p-10 -76.65 -48.09 20.13 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.108 -0.995 . . . . 0.0 110.497 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.661 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -49.65 -39.58 36.64 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 179.109 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.661 ' N ' HD21 ' A' ' 6' ' ' ASN . 4.3 m95 -59.19 -37.17 76.77 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.761 178.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ASP . 15.5 tm-20 -61.32 -43.09 99.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.392 -0.817 . . . . 0.0 109.128 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -55.64 -52.46 63.73 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.07 -28.58 69.88 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.44 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -59.02 -65.23 0.7 Allowed 'General case' 0 C--N 1.29 -1.984 0 O-C-N 120.81 -1.181 . . . . 0.0 110.523 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -52.53 -23.04 5.59 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.565 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.57 -56.93 10.81 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 117.548 -1.661 . . . . 0.0 108.537 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 4.0 mm? -58.57 -35.69 72.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.062 -1.024 . . . . 0.0 109.136 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -54.24 -51.3 64.93 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.705 -0.622 . . . . 0.0 110.633 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.615 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.6 t -68.48 -56.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 120.868 -1.145 . . . . 0.0 111.659 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -42.33 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.481 0 O-C-N 120.009 -1.682 . . . . 0.0 107.987 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 7.9 mm-40 -62.58 -26.14 68.44 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' A' ' 16' ' ' VAL . 14.7 mtpp -129.0 32.03 4.81 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.5 -0.75 . . . . 0.0 110.282 -178.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.615 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.1 -13.4 47.42 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.992 -1.068 . . . . 0.0 110.748 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 66.59 -35.62 0.24 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.357 -0.84 . . . . 0.0 109.825 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.594 ' H ' ' C ' ' A' ' 20' ' ' ALA . 3.8 m-80 -152.96 151.71 30.62 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.249 -0.907 . . . . 0.0 109.731 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.93 -14.95 0.65 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.143 -0.973 . . . . 0.0 109.18 179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.71 -58.79 4.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.866 -1.146 . . . . 0.0 110.031 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.498 HE22 HD21 ' A' ' 22' ' ' ASN . 1.2 mp0 -65.57 -12.92 57.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.789 -1.194 . . . . 0.0 109.863 -179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.6 t -70.48 -46.97 68.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -54.99 -43.59 73.7 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.945 0.879 . . . . 0.0 108.923 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.52 -60.79 3.16 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -44.04 -52.05 7.39 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.256 0.55 . . . . 0.0 110.583 -178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.94 -32.7 71.04 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.17 -0.956 . . . . 0.0 110.547 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 m -66.28 -30.54 70.99 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.347 -1.47 . . . . 0.0 108.027 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -69.7 -41.11 75.82 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.66 ' O ' ' N ' ' A' ' 37' ' ' ALA . 1.3 mtp -54.29 -51.73 63.69 Favored 'General case' 0 C--O 1.2 -1.542 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.474 ' NH2' ' O ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -37.31 -49.99 0.99 Allowed 'General case' 0 N--CA 1.501 2.08 0 CA-C-O 121.869 0.842 . . . . 0.0 109.244 179.179 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.99 -55.69 13.35 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.299 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.23 -21.35 66.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.476 -0.765 . . . . 0.0 110.208 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.66 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -63.09 -69.84 0.24 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.119 -0.988 . . . . 0.0 109.981 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.41 -19.7 66.06 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.208 -0.933 . . . . 0.0 109.429 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -61.73 -40.99 97.03 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 43' ' ' ALA . . . -58.52 -35.72 72.71 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -41.45 13.33 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -86.25 -5.01 59.28 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.786 -0.572 . . . . 0.0 110.617 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -162.85 93.12 0.8 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.725 -1.234 . . . . 0.0 108.952 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -135.49 154.86 78.67 Favored Pre-proline 0 N--CA 1.493 1.692 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.283 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -30.6 -41.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.315 -1.212 0 C-N-CA 122.655 2.236 . . . . 0.0 114.587 -179.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.534 ' O ' ' N ' ' A' ' 48' ' ' LEU . 9.9 Cg_endo -95.7 -1.45 2.21 Favored 'Trans proline' 0 C--N 1.316 -1.137 0 C-N-CA 122.864 2.376 . . . . 0.0 111.974 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.579 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 37.49 25.88 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.992 -0.443 . . . . 0.0 110.281 -179.633 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.534 ' N ' ' O ' ' A' ' 46' ' ' PRO . 3.3 tm? 40.93 -88.88 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -68.36 97.68 0.77 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.708 -1.245 . . . . 0.0 107.987 178.742 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.23 7.88 43.75 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.704 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.2 OUTLIER -164.86 -85.96 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.704 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 21.4 m -171.78 70.28 0.46 Allowed Pre-proline 0 N--CA 1.486 1.33 0 O-C-N 121.021 -1.05 . . . . 0.0 109.49 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -69.98 -76.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.113 1.876 . . . . 0.0 111.046 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 55' ' ' SER . 90.7 m-20 -135.71 -54.42 0.77 Allowed 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 54.3 p 113.59 -44.37 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.609 0 C-N-CA 123.727 0.811 . . . . 0.0 112.205 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.432 ' C ' ' H ' ' A' ' 58' ' ' MET . 6.1 Cg_exo -80.48 -35.64 0.57 Allowed 'Trans proline' 0 N--CA 1.489 1.262 0 CA-C-N 121.683 1.637 . . . . 0.0 109.501 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -58.52 -7.32 0.89 Allowed 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.432 ' H ' ' C ' ' A' ' 56' ' ' PRO . 12.4 ttp -65.68 -50.65 64.12 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.175 -0.953 . . . . 0.0 109.242 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -54.11 -35.66 62.38 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.707 -1.246 . . . . 0.0 108.397 179.45 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -54.53 -36.82 64.67 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 106.044 -1.836 . . . . 0.0 106.044 178.125 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' GLY . 4.1 t80 -55.46 -34.26 64.37 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 106.541 -1.652 . . . . 0.0 106.541 177.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 66' ' ' ASP . 1.1 ttt180 -53.51 -34.03 56.63 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 176.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 60' ' ' ASP . 10.0 t60 -55.56 -38.1 68.88 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -70.14 -44.73 59.34 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.259 -1.537 . . . . 0.0 109.259 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' ASP . 12.6 m-85 -72.11 -43.02 65.41 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 62' ' ' ARG . 10.7 t70 -43.75 -38.84 3.39 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mm -67.33 -66.61 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 O-C-N 121.759 -0.588 . . . . 0.0 110.035 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 pp -55.37 -48.45 74.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.192 -0.943 . . . . 0.0 110.503 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.474 ' O ' ' NH2' ' A' ' 34' ' ' ARG . 5.8 m -64.81 -21.51 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 120.438 -1.414 . . . . 0.0 109.794 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.427 ' O ' ' OD1' ' A' ' 73' ' ' ASP . . . -68.89 -48.24 49.76 Favored Glycine 0 N--CA 1.496 2.697 0 O-C-N 121.319 -0.863 . . . . 0.0 111.172 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.554 ' NE2' ' OE1' ' A' ' 93' ' ' GLN . 1.6 pt20 -71.99 -26.16 62.13 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.695 -1.473 . . . . 0.0 109.11 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.0 mm -61.15 -57.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 3.5 p30 -58.79 -32.24 69.15 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.546 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 22.8 t70 -59.82 -20.0 54.22 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 117.743 -1.583 . . . . 0.0 107.327 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.57 -35.43 67.95 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 176.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.467 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 5.0 tt -57.77 -39.76 78.2 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 177.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -64.12 -45.18 89.7 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 122.337 1.065 . . . . 0.0 110.034 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.3 mp -64.47 -53.99 39.55 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.82 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.15 -32.88 4.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.084 -1.01 . . . . 0.0 109.209 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.7 m120 -65.73 -30.28 70.92 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 78' ' ' LEU . 24.6 tt0 -86.12 7.12 26.09 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.06 42.97 5.79 Favored Glycine 0 N--CA 1.497 2.742 0 O-C-N 121.253 -0.904 . . . . 0.0 111.474 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -101.2 70.95 1.36 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.972 -1.311 . . . . 0.0 109.894 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 39.9 t -63.6 -52.34 58.86 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 CA-C-O 121.279 0.561 . . . . 0.0 110.033 179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -74.8 -50.7 16.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.383 -0.823 . . . . 0.0 110.389 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.65 -42.89 79.71 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.493 -0.754 . . . . 0.0 109.875 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.79 84.18 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.04 -1.037 . . . . 0.0 109.85 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -63.58 -39.6 94.8 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.029 -1.044 . . . . 0.0 108.681 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.1 96.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.971 -1.081 . . . . 0.0 108.248 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.95 -22.54 65.72 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.58 -52.0 62.9 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.842 -1.161 . . . . 0.0 108.535 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.27 -11.21 29.44 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.378 -0.826 . . . . 0.0 110.385 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.624 ' C ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -76.43 -32.61 58.58 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.7 tp -66.06 -51.55 57.08 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -50.54 -65.19 0.6 Allowed 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.613 0.72 . . . . 0.0 109.799 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 m -64.19 -32.17 73.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.274 -0.891 . . . . 0.0 110.571 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.583 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.7 m -49.88 -54.97 16.2 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.696 -1.253 . . . . 0.0 108.988 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.04 -55.9 12.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.017 -1.052 . . . . 0.0 108.448 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -58.53 -50.55 73.35 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.692 -1.255 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.17 -31.71 71.45 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.992 -1.068 . . . . 0.0 109.794 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.8 m-30 -72.77 -6.34 44.08 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.0 OUTLIER 91.25 66.2 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 104.62 -2.363 . . . . 0.0 104.62 -176.621 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 102' ' ' ASN . 0.8 OUTLIER 46.39 57.49 5.33 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -176.017 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.1 tptt 60.9 -80.37 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.204 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.82 2.77 1.06 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.111 -1.618 . . . . 0.0 109.75 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.118 0 CA-C-O 118.015 -1.436 . . . . 0.0 110.407 179.459 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.243 0.544 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.33 164.45 24.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.203 -0.936 . . . . 0.0 109.652 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.412 ' N ' ' CD2' ' A' ' 3' ' ' LEU . 3.9 mm? -49.8 -55.45 14.07 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.375 -0.828 . . . . 0.0 109.622 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.14 -28.14 67.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.239 -0.913 . . . . 0.0 109.772 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -76.46 -35.6 58.37 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.832 -1.168 . . . . 0.0 109.889 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.623 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -52.46 -41.9 63.71 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 178.45 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.623 ' N ' HD21 ' A' ' 6' ' ' ASN . 2.1 m95 -57.52 -41.01 80.01 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.3 -45.49 87.89 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.446 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.8 m -56.0 -56.28 22.63 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.35 -24.01 67.66 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.341 0.591 . . . . 0.0 109.892 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -63.83 -68.9 0.31 Allowed 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.63 -1.294 . . . . 0.0 109.925 -179.324 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.65 -16.43 2.46 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.88 -0.513 . . . . 0.0 109.89 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 9' ' ' THR . 5.9 m-80 -66.59 -56.85 8.81 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 117.917 -1.513 . . . . 0.0 108.332 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.2 mm? -57.07 -34.6 68.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.11 -0.994 . . . . 0.0 108.931 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -58.27 -45.39 87.97 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.722 -0.611 . . . . 0.0 110.098 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.635 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.7 t -68.52 -59.09 4.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.848 -1.158 . . . . 0.0 110.699 -178.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -46.27 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 O-C-N 120.431 -1.418 . . . . 0.0 107.814 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 4.6 mm-40 -57.85 -31.14 66.38 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 16' ' ' VAL . 17.7 mtpt -127.08 36.55 4.42 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.482 -0.761 . . . . 0.0 110.116 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.635 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.99 -15.14 61.96 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.247 -0.908 . . . . 0.0 110.416 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 64.5 -31.66 0.13 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.698 -0.626 . . . . 0.0 109.96 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.604 ' H ' ' C ' ' A' ' 20' ' ' ALA . 8.2 m-80 -154.39 152.64 30.43 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.141 -0.974 . . . . 0.0 109.72 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.04 -13.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.165 -0.959 . . . . 0.0 109.383 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 22' ' ' ASN . . . -66.27 -62.52 1.43 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.24 -0.913 . . . . 0.0 110.236 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.561 HE22 HD21 ' A' ' 22' ' ' ASN . 2.0 mt-30 -66.53 -10.82 48.87 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.963 -1.086 . . . . 0.0 110.425 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 t -69.2 -59.76 3.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 120.913 -1.117 . . . . 0.0 108.104 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -57.92 -32.28 67.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.555 -0.716 . . . . 0.0 110.111 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -61.15 2.7 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.148 -0.97 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -50.56 -41.62 54.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.744 -0.597 . . . . 0.0 110.624 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.524 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 14.7 mt -60.23 -42.26 94.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.763 -1.211 . . . . 0.0 109.741 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.9 m -58.57 -34.02 70.59 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.886 -1.134 . . . . 0.0 109.316 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -72.25 -38.68 68.82 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.628 ' O ' ' N ' ' A' ' 37' ' ' ALA . 3.7 mtm -60.77 -42.26 97.12 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.524 ' NH1' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -48.23 -50.81 28.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.94 -1.1 . . . . 0.0 108.148 178.568 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.25 -52.4 41.28 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.292 0.568 . . . . 0.0 109.665 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.58 -25.31 68.18 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 0.0 109.322 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.628 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.63 -72.03 0.18 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.259 -0.9 . . . . 0.0 111.309 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.424 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 11.6 mt -58.78 -22.6 58.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.102 -0.998 . . . . 0.0 108.88 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -61.74 -37.96 86.16 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -63.17 -28.35 69.99 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.608 HE21 ' C ' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -44.17 -46.05 8.64 Favored 'General case' 0 N--CA 1.511 2.597 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 178.02 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -106.92 23.05 15.0 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.303 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.79 55.14 0.11 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -106.91 153.47 40.83 Favored Pre-proline 0 N--CA 1.494 1.754 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -178.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.434 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 20.1 Cg_exo -32.17 -41.68 0.12 Allowed 'Trans proline' 0 C--N 1.316 -1.173 0 C-N-CA 122.529 2.153 . . . . 0.0 114.248 -178.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.547 ' N ' ' OXT' ' A' ' 106' ' ' GLY . 10.8 Cg_endo -94.78 -12.75 0.89 Allowed 'Trans proline' 0 C--N 1.316 -1.168 0 C-N-CA 122.782 2.322 . . . . 0.0 112.181 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.595 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.7 OUTLIER 66.85 -2.35 1.14 Allowed 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.694 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.514 ' H ' ' C ' ' A' ' 46' ' ' PRO . 2.6 tm? 60.2 -75.25 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -177.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.595 ' N ' ' O ' ' A' ' 47' ' ' LYS . 26.5 mt-10 -75.43 99.01 4.04 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 177.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 16.8 p-10 -92.22 -7.01 49.44 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.211 -0.931 . . . . 0.0 108.753 -179.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.682 ' CG ' ' H ' ' A' ' 52' ' ' SER . 13.0 pttt -166.11 -70.04 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.49 -0.756 . . . . 0.0 109.136 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.682 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 5.0 m -175.75 65.62 0.24 Allowed Pre-proline 0 C--N 1.308 -1.233 0 O-C-N 121.263 -0.898 . . . . 0.0 109.207 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -65.53 -77.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.022 1.815 . . . . 0.0 111.16 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 55' ' ' SER . 33.6 m-20 -136.82 -57.68 0.73 Allowed 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 53.6 p 112.98 -43.82 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.505 0 C-N-CA 123.583 0.753 . . . . 0.0 111.565 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 58' ' ' MET . 5.9 Cg_exo -75.32 -38.78 1.32 Allowed 'Trans proline' 0 N--CA 1.488 1.16 0 CA-C-N 121.652 1.626 . . . . 0.0 108.914 177.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.1 -4.45 0.51 Allowed 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.511 ' H ' ' C ' ' A' ' 56' ' ' PRO . 51.4 ttp -67.5 -66.7 0.53 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.463 -0.773 . . . . 0.0 109.02 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 62' ' ' ARG . 11.3 tptt -50.82 -35.83 34.25 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.674 -1.266 . . . . 0.0 108.519 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 63' ' ' HIS . 2.0 m-20 -56.07 -35.44 66.97 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 64' ' ' GLY . 15.1 t80 -54.9 -36.37 65.12 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 177.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.649 ' O ' ' N ' ' A' ' 66' ' ' ASP . 14.7 ttp180 -52.45 -31.94 37.18 Favored 'General case' 0 C--O 1.203 -1.381 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 176.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 60' ' ' ASP . 53.4 t60 -54.41 -33.83 60.14 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 177.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -71.62 -52.02 13.99 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -70.49 -36.91 74.09 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.487 -1.008 . . . . 0.0 108.884 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.649 ' N ' ' O ' ' A' ' 62' ' ' ARG . 14.7 t70 -54.45 -41.5 69.53 Favored 'General case' 0 C--N 1.29 -2.002 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.1 mm -64.25 -64.15 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.407 -0.808 . . . . 0.0 110.226 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 pp -53.81 -45.85 70.93 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.239 -0.913 . . . . 0.0 109.992 -178.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -17.47 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 120.548 -1.345 . . . . 0.0 109.923 178.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.59 -57.56 8.89 Favored Glycine 0 N--CA 1.487 2.046 0 C-N-CA 119.71 -1.233 . . . . 0.0 111.727 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -72.72 -26.13 61.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.749 -1.442 . . . . 0.0 110.029 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.6 mm -60.52 -57.12 13.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 121.167 -0.958 . . . . 0.0 109.037 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -56.82 -36.66 70.21 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.1 -20.91 64.54 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 117.475 -1.69 . . . . 0.0 107.734 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.61 -34.81 70.16 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 176.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.533 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 5.4 tt -57.97 -39.52 78.36 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 177.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -65.84 -47.67 74.21 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.421 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.3 mp -63.12 -55.91 21.32 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 121.685 -0.634 . . . . 0.0 109.814 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.69 -39.47 5.14 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.085 -1.009 . . . . 0.0 109.615 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.4 m120 -60.45 -30.4 69.64 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.604 ' N ' ' O ' ' A' ' 78' ' ' LEU . 11.9 tp10 -84.53 3.09 38.13 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.4 43.96 5.41 Favored Glycine 0 N--CA 1.498 2.809 0 O-C-N 121.212 -0.93 . . . . 0.0 111.918 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -103.61 68.49 0.94 Allowed 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.886 -1.361 . . . . 0.0 109.547 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.5 t -61.84 -42.44 94.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 O-C-N 121.484 -0.76 . . . . 0.0 110.782 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -55.21 6.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.038 -1.039 . . . . 0.0 110.205 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -44.31 90.05 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.683 -0.636 . . . . 0.0 110.128 -178.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.4 -49.65 74.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.927 -1.108 . . . . 0.0 109.322 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -62.67 -37.74 87.61 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.25 81.38 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.0 -23.53 66.48 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 178.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.58 -54.31 34.0 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.749 -0.594 . . . . 0.0 109.714 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.58 -15.42 38.75 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.076 -1.015 . . . . 0.0 109.346 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.587 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -75.35 -43.22 51.71 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 179.125 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.538 ' CD2' ' SD ' ' A' ' 33' ' ' MET . 16.0 tp -67.14 -38.72 86.03 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.118 -0.989 . . . . 0.0 109.217 178.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -56.7 -69.69 0.14 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.116 -0.99 . . . . 0.0 109.857 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 100' ' ' ALA . 0.7 OUTLIER -64.46 -23.91 67.44 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.388 -0.82 . . . . 0.0 110.247 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.587 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.9 m -48.46 -60.64 2.52 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.641 -1.287 . . . . 0.0 108.297 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.0 -57.67 7.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.791 -0.568 . . . . 0.0 109.645 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -58.22 -50.89 71.96 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.661 -1.275 . . . . 0.0 110.784 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 96' ' ' THR . . . -62.0 -29.62 70.39 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.886 -1.134 . . . . 0.0 109.304 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.51 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.3 m-30 -73.0 -6.42 45.33 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.2 t30 90.59 64.9 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -176.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.492 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.3 OUTLIER 47.81 56.89 6.57 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 -176.307 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.5 tptt 58.72 -83.16 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.314 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.64 10.15 1.21 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.382 -1.449 . . . . 0.0 109.087 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.547 ' OXT' ' N ' ' A' ' 46' ' ' PRO . . . . . . . . 0 N--CA 1.486 2.007 0 CA-C-O 118.112 -1.382 . . . . 0.0 109.682 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.483 0.658 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -77.73 -155.12 0.07 Allowed 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.474 -0.766 . . . . 0.0 109.856 -179.677 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -43.72 -26.82 0.27 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.568 -0.708 . . . . 0.0 110.135 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -62.47 -24.09 67.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.957 -1.09 . . . . 0.0 110.564 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 22.0 p-10 -74.31 -36.96 63.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.802 -1.186 . . . . 0.0 110.991 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.529 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -52.76 -39.91 62.63 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.1 -1.815 . . . . 0.0 106.1 179.102 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.546 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.6 m95 -62.08 -43.79 98.08 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -51.78 -47.92 64.01 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.518 -0.739 . . . . 0.0 109.409 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.412 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 1.2 m -54.35 -57.3 11.79 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 mp -65.51 -24.92 67.25 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 121.497 0.665 . . . . 0.0 109.309 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.546 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.6 OUTLIER -63.23 -65.74 0.64 Allowed 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.694 -1.254 . . . . 0.0 109.919 -178.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.92 -18.82 3.76 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.752 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 9' ' ' THR . 7.3 m-80 -65.73 -58.22 6.18 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 117.804 -1.558 . . . . 0.0 108.581 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.4 mm? -56.14 -33.59 65.32 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.148 -0.97 . . . . 0.0 109.011 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.699 ' HZ1' ' HZ1' ' A' ' 19' ' ' LYS . 13.7 ttpp -59.11 -49.42 77.96 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.706 -0.621 . . . . 0.0 111.038 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' ALA . 3.1 t -66.87 -53.2 36.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 120.632 -1.292 . . . . 0.0 111.03 -178.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.96 -45.03 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 120.21 -1.556 . . . . 0.0 107.89 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.81 -25.97 66.98 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.699 ' HZ1' ' HZ1' ' A' ' 15' ' ' LYS . 12.1 mtpt -127.73 38.08 4.1 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.575 -0.703 . . . . 0.0 109.508 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.04 -34.02 77.07 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.468 -0.77 . . . . 0.0 111.32 -179.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 1.7 m-20 72.69 -35.34 0.32 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.238 -0.914 . . . . 0.0 109.135 -178.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.694 HD21 HE22 ' A' ' 25' ' ' GLN . 9.3 m-80 -152.26 153.85 34.57 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.149 -0.97 . . . . 0.0 109.901 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.78 -19.33 4.14 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.293 -0.879 . . . . 0.0 109.511 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.01 -54.06 36.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.201 -0.937 . . . . 0.0 109.949 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.694 HE22 HD21 ' A' ' 22' ' ' ASN . 1.9 mt-30 -70.26 -14.68 62.71 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.801 -1.187 . . . . 0.0 110.437 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.02 -63.89 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 120.91 -1.119 . . . . 0.0 108.728 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -26.43 39.48 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.789 -0.57 . . . . 0.0 109.706 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -60.54 -61.76 2.36 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.973 -1.079 . . . . 0.0 108.51 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.48 -48.82 47.51 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.709 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.01 -36.42 72.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.928 -1.108 . . . . 0.0 109.623 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.2 m -64.69 -30.88 71.91 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.623 -1.298 . . . . 0.0 108.475 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -73.72 -37.66 65.06 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.671 ' O ' ' N ' ' A' ' 37' ' ' ALA . 7.1 mtt -56.53 -44.04 80.43 Favored 'General case' 0 C--O 1.199 -1.554 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.499 HH12 ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.26 -49.63 23.08 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.258 -0.901 . . . . 0.0 108.779 179.136 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.62 -50.96 63.11 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 119.526 -0.87 . . . . 0.0 108.721 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.19 -21.61 64.87 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.415 -0.803 . . . . 0.0 109.958 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -63.58 -70.41 0.22 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.159 -0.963 . . . . 0.0 110.631 -178.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -32.83 72.22 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.671 -1.212 . . . . 0.0 110.285 -178.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -58.59 -35.68 72.79 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -63.63 -33.92 76.69 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 176.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -41.13 -33.28 0.33 Allowed 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.063 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -78.76 0.17 Allowed 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.53 108.02 18.37 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.43 ' HG1' ' HA ' ' A' ' 47' ' ' LYS . 40.6 p -108.85 157.46 36.77 Favored Pre-proline 0 N--CA 1.493 1.693 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -178.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.441 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 95.6 Cg_exo -39.5 -41.89 2.52 Favored 'Trans proline' 0 N--CA 1.487 1.093 0 C-N-CA 121.515 1.476 . . . . 0.0 112.714 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 45' ' ' PRO . 84.9 Cg_endo -105.31 2.63 0.24 Allowed 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 123.321 2.681 . . . . 0.0 110.899 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.571 ' C ' ' H ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER 66.6 129.46 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 -178.679 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.506 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 2.7 tm? -66.97 0.87 2.22 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.571 ' H ' ' C ' ' A' ' 47' ' ' LYS . 15.9 mt-10 -141.64 84.66 1.91 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.126 -0.984 . . . . 0.0 109.15 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -94.38 -3.74 49.73 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.684 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -166.63 -76.45 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.684 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 5.1 m -171.64 60.03 0.29 Allowed Pre-proline 0 C--N 1.305 -1.339 0 O-C-N 121.329 -0.857 . . . . 0.0 109.24 177.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.482 ' HD3' ' N ' ' A' ' 52' ' ' SER . 32.4 Cg_exo -60.09 -73.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.377 2.051 . . . . 0.0 110.929 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 55' ' ' SER . 10.0 m-20 -142.56 -82.09 0.2 Allowed 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 3.6 p 109.38 -46.88 0.0 OUTLIER Pre-proline 0 N--CA 1.505 2.28 0 C-N-CA 124.244 1.018 . . . . 0.0 109.173 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.417 ' HD3' ' OG ' ' A' ' 55' ' ' SER . 20.5 Cg_exo -66.29 -37.18 25.13 Favored 'Trans proline' 0 N--CA 1.489 1.232 0 CA-C-N 120.681 1.279 . . . . 0.0 109.156 176.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.619 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -62.71 -53.56 52.61 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.292 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.526 ' C ' ' O ' ' A' ' 57' ' ' GLU . 23.0 ttp 17.52 -81.05 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.269 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 62' ' ' ARG . 17.2 tptt -51.99 -39.15 58.94 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.463 -1.398 . . . . 0.0 108.237 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.619 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -54.55 -36.23 64.08 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 105.547 -2.02 . . . . 0.0 105.547 177.314 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 58' ' ' MET . 5.8 t80 -55.24 -33.77 63.43 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 66' ' ' ASP . 8.3 ttt180 -56.86 -33.66 67.03 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 176.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 60' ' ' ASP . 12.9 t60 -53.36 -36.16 61.07 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.16 -46.08 45.4 Favored Glycine 0 N--CA 1.497 2.735 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -73.3 -41.04 64.04 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.429 -1.042 . . . . 0.0 108.715 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.555 ' N ' ' O ' ' A' ' 62' ' ' ARG . 50.3 t0 -50.31 -43.95 53.91 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -177.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.6 mm -63.04 -64.34 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.283 -0.885 . . . . 0.0 109.498 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.3 pp -56.42 -40.9 75.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.0 -1.063 . . . . 0.0 109.868 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.499 ' CG1' HH12 ' A' ' 34' ' ' ARG . 63.6 t -66.5 -22.41 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.879 -1.138 . . . . 0.0 110.57 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.87 -48.15 35.48 Favored Glycine 0 N--CA 1.497 2.718 0 O-C-N 121.041 -1.037 . . . . 0.0 112.151 -177.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -73.42 -28.05 61.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.609 -1.524 . . . . 0.0 110.298 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 mm -59.49 -56.73 15.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 O-C-N 121.092 -1.005 . . . . 0.0 108.872 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.6 p30 -58.31 -31.85 67.9 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 12.1 t70 -63.55 -22.09 66.7 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.089 -1.632 . . . . 0.0 108.031 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.19 -33.03 65.18 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 176.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.551 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 8.6 tt -57.52 -35.69 70.6 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -64.87 -46.51 81.48 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.003 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 81' ' ' GLU . 6.2 mp -63.42 -57.06 11.49 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 121.714 -0.616 . . . . 0.0 109.718 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.98 -34.16 3.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.095 -1.003 . . . . 0.0 109.896 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.7 m120 -65.71 -28.23 68.91 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 78' ' ' LEU . 19.3 tt0 -88.24 13.68 10.98 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.547 -0.721 . . . . 0.0 109.471 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.76 35.51 13.2 Favored Glycine 0 N--CA 1.498 2.794 0 O-C-N 121.218 -0.926 . . . . 0.0 111.93 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -101.25 66.38 1.11 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.816 -1.402 . . . . 0.0 110.683 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.98 -43.85 96.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 O-C-N 121.247 -0.908 . . . . 0.0 110.219 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.11 -49.75 22.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.137 -0.977 . . . . 0.0 110.233 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.25 -42.98 96.45 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.502 -0.749 . . . . 0.0 109.886 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.15 -42.95 88.34 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.931 -1.105 . . . . 0.0 109.625 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -61.99 -41.02 97.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.99 -1.069 . . . . 0.0 108.254 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.5 97.89 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.34 -24.18 66.27 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.26 95.29 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.38 -15.58 60.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.378 -0.826 . . . . 0.0 109.25 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.59 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -76.1 -42.22 47.86 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.14 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 56.7 tp -64.81 -42.9 94.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.258 -0.901 . . . . 0.0 109.181 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -54.73 -62.19 1.82 Allowed 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.059 -1.026 . . . . 0.0 108.893 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.09 -23.26 64.91 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.426 -0.796 . . . . 0.0 110.501 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.59 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 19.3 m -49.82 -57.95 6.35 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.496 -1.378 . . . . 0.0 108.114 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.419 HG22 ' N ' ' A' ' 104' ' ' LYS . 2.5 mp -59.35 -56.51 16.64 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 121.959 -0.463 . . . . 0.0 110.515 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -57.99 -46.73 84.74 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.572 -1.33 . . . . 0.0 111.386 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.52 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -61.31 -41.4 96.94 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.756 -1.215 . . . . 0.0 109.373 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.491 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.9 m-30 -66.28 -0.62 2.69 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.52 ' H ' ' C ' ' A' ' 100' ' ' ALA . 1.6 t30 85.48 69.1 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 -178.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 105' ' ' TYR . 0.2 OUTLIER 46.19 54.57 8.17 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 -176.591 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.419 ' N ' HG22 ' A' ' 98' ' ' ILE . 31.9 tptt 60.19 -70.16 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.239 -179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -142.53 -12.29 0.79 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.482 -1.386 . . . . 0.0 109.696 178.312 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.416 ' OXT' ' O ' ' A' ' 105' ' ' TYR . . . . . . . . 0 N--CA 1.496 2.696 0 CA-C-O 118.075 -1.403 . . . . 0.0 110.41 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -78.9 170.78 16.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 0.0 109.772 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.425 ' O ' ' OD1' ' A' ' 6' ' ' ASN . 0.1 OUTLIER -54.69 -49.23 71.18 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.193 -0.942 . . . . 0.0 109.42 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.74 -22.5 65.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.387 -0.821 . . . . 0.0 110.396 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.03 -32.64 63.43 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.651 -1.281 . . . . 0.0 109.481 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -51.51 -45.17 62.78 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 178.039 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.506 ' N ' ' ND2' ' A' ' 6' ' ' ASN . 1.8 m95 -55.48 -40.04 71.16 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' OE2' ' OD2' ' A' ' 12' ' ' ASP . 4.6 tm-20 -61.03 -40.13 92.39 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.437 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.0 m -57.65 -54.25 48.95 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.72 -29.36 70.34 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.605 0.717 . . . . 0.0 109.269 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 7' ' ' TRP . 1.2 t-20 -60.15 -64.96 0.76 Allowed 'General case' 0 C--N 1.29 -2.004 0 O-C-N 120.567 -1.333 . . . . 0.0 109.85 -179.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.415 ' OD2' ' OE2' ' A' ' 8' ' ' GLU . 91.6 m-20 -54.33 -21.55 9.72 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.631 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 9' ' ' THR . 10.8 m-80 -68.27 -61.35 1.88 Allowed 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 118.148 -1.421 . . . . 0.0 108.046 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 4.2 mm? -55.25 -33.14 62.9 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.254 -0.904 . . . . 0.0 109.387 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.736 ' HZ2' ' HZ2' ' A' ' 19' ' ' LYS . 14.6 ttpp -54.78 -55.36 30.88 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.58 -0.7 . . . . 0.0 110.887 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.1 t -63.79 -50.55 77.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 120.734 -1.229 . . . . 0.0 111.172 -178.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.73 -53.98 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 120.154 -1.591 . . . . 0.0 108.464 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.13 -18.37 9.76 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.475 -0.89 . . . . 0.0 108.763 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.736 ' HZ2' ' HZ2' ' A' ' 15' ' ' LYS . 22.3 mtpt -129.13 28.32 5.29 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.385 -0.822 . . . . 0.0 110.034 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.618 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.47 -17.99 64.35 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.096 -1.003 . . . . 0.0 110.966 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 68.74 -33.29 0.24 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.557 -0.715 . . . . 0.0 109.505 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.588 ' H ' ' C ' ' A' ' 20' ' ' ALA . 4.5 m-80 -153.23 149.51 28.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.17 -0.956 . . . . 0.0 109.775 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.69 -9.93 0.14 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 0.0 109.338 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' A' ' 22' ' ' ASN . . . -68.38 -61.6 1.77 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.006 -1.059 . . . . 0.0 110.183 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.5 HE22 HD21 ' A' ' 22' ' ' ASN . 1.4 mp0 -65.98 -11.32 46.87 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.871 -1.143 . . . . 0.0 110.042 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.2 t -69.89 -58.01 6.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.116 -0.99 . . . . 0.0 108.473 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -57.41 -33.61 68.05 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.285 -0.884 . . . . 0.0 109.837 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -63.08 -58.71 6.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.086 -1.009 . . . . 0.0 108.364 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.21 -45.04 43.78 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.073 0.463 . . . . 0.0 110.66 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.23 -35.33 75.21 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.069 -1.019 . . . . 0.0 110.335 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 m -64.4 -30.51 71.55 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.523 -1.36 . . . . 0.0 107.997 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -73.26 -37.24 66.39 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.667 ' O ' ' N ' ' A' ' 37' ' ' ALA . 11.1 mtp -59.68 -40.63 88.47 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.67 -46.98 20.34 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.98 -50.29 66.94 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.34 -18.17 64.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.336 -0.853 . . . . 0.0 109.411 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -65.28 -71.23 0.19 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.246 -0.909 . . . . 0.0 110.832 -178.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.4 mt -64.28 -23.52 67.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.064 -1.023 . . . . 0.0 109.563 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -62.58 -35.81 80.71 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.66 -39.72 77.68 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -48.3 -36.64 14.61 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.661 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -98.21 -1.26 42.46 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.67 -0.644 . . . . 0.0 112.323 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.42 90.06 0.71 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.344 -1.472 . . . . 0.0 109.413 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.432 ' C ' ' CD ' ' A' ' 46' ' ' PRO . 0.7 OUTLIER -141.01 160.53 57.79 Favored Pre-proline 0 C--N 1.301 -1.526 0 O-C-N 121.468 -0.77 . . . . 0.0 108.949 -179.131 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.45 ' CG ' ' HE1' ' A' ' 7' ' ' TRP . 18.0 Cg_exo -32.24 -40.39 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.631 2.22 . . . . 0.0 114.833 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.532 ' O ' ' N ' ' A' ' 48' ' ' LEU . 57.5 Cg_endo -103.23 -0.71 0.33 Allowed 'Trans proline' 0 C--N 1.319 -0.975 0 C-N-CA 122.742 2.295 . . . . 0.0 113.271 -179.134 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' O ' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER 34.25 30.74 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.94 -0.475 . . . . 0.0 110.453 -179.44 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 46' ' ' PRO . 2.1 tm? 52.46 94.94 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 59.69 -165.69 0.19 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' A' ' 50' ' ' ASP . 25.0 t70 -146.54 49.79 1.15 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.612 -1.305 . . . . 0.0 109.676 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 52' ' ' SER . 23.0 pttt -164.55 -19.74 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.878 -1.139 . . . . 0.0 110.777 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER 85.22 76.13 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.863 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -52.36 -82.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.566 1.511 . . . . 0.0 111.557 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.539 ' O ' ' CB ' ' A' ' 55' ' ' SER . 80.4 m-20 -111.92 -43.83 3.54 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 55.1 p 113.49 -42.91 0.0 OUTLIER Pre-proline 0 N--CA 1.508 2.425 0 C-N-CA 123.867 0.867 . . . . 0.0 111.727 178.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.51 -33.56 4.02 Favored 'Trans proline' 0 N--CA 1.489 1.229 0 CA-C-N 121.464 1.559 . . . . 0.0 109.498 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -61.96 -14.15 32.16 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.866 0.841 . . . . 0.0 108.913 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.6 ttp -63.75 -35.21 79.83 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.152 -0.968 . . . . 0.0 108.595 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' ARG . 1.7 tptp -56.05 -34.43 65.9 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 63' ' ' HIS . 15.2 t70 -54.07 -44.83 71.46 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 178.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -55.85 -32.54 63.71 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 66' ' ' ASP . 17.5 ttt180 -57.7 -35.67 70.94 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 176.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 60' ' ' ASP . 27.4 t60 -50.98 -40.65 58.4 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.72 -44.24 81.73 Favored Glycine 0 N--CA 1.497 2.757 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.471 ' CZ ' ' NZ ' ' A' ' 104' ' ' LYS . 29.6 m-85 -70.72 -44.88 65.97 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.533 ' N ' ' O ' ' A' ' 62' ' ' ARG . 66.7 t0 -37.86 -44.09 0.73 Allowed 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.615 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mt -68.59 -62.08 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.445 -0.784 . . . . 0.0 110.038 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 pp -58.08 -47.16 84.04 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.001 -1.062 . . . . 0.0 111.14 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.2 m -62.07 -21.25 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 120.187 -1.571 . . . . 0.0 109.626 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.75 -41.92 88.0 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -24.81 60.54 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.07 -1.253 . . . . 0.0 110.33 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 79.4 mt -60.42 -57.81 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.75 -1.219 . . . . 0.0 107.778 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' LEU . 2.8 p30 -61.33 -37.44 83.27 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.769 -0.582 . . . . 0.0 109.653 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.65 -22.17 61.53 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.085 -1.634 . . . . 0.0 108.109 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.28 -33.57 69.86 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.507 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 5.8 tt -59.61 -39.96 85.98 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 177.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -63.37 -45.38 91.43 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 122.119 0.961 . . . . 0.0 109.895 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.4 mp -64.63 -54.61 29.16 Favored 'General case' 0 C--N 1.291 -1.952 0 O-C-N 121.829 -0.545 . . . . 0.0 109.978 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.08 -41.25 11.98 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.051 -1.031 . . . . 0.0 109.522 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 0.7 OUTLIER -62.63 -26.45 68.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.953 -1.092 . . . . 0.0 108.316 178.775 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 78' ' ' LEU . 46.0 tt0 -86.41 7.44 25.76 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.01 34.29 8.99 Favored Glycine 0 N--CA 1.495 2.595 0 O-C-N 121.116 -0.99 . . . . 0.0 111.333 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -95.39 72.08 3.22 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.78 -1.424 . . . . 0.0 109.342 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.57 -59.58 4.12 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 CA-C-O 121.307 0.575 . . . . 0.0 110.166 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -49.03 25.46 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.416 -0.802 . . . . 0.0 110.472 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -53.69 -44.02 69.42 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.593 -0.692 . . . . 0.0 109.812 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.94 83.96 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.906 -1.122 . . . . 0.0 109.664 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -62.95 -43.81 97.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.128 -0.983 . . . . 0.0 108.816 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.4 98.41 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.192 -0.942 . . . . 0.0 108.911 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.19 -25.52 67.09 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.72 -46.87 86.08 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -63.16 -12.86 30.89 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.486 -0.758 . . . . 0.0 109.013 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.594 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.39 -42.26 59.56 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.684 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.45 ' N ' ' HG3' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -70.21 -35.77 74.11 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.718 -0.793 . . . . 0.0 109.317 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -56.25 -64.83 0.73 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.768 -1.208 . . . . 0.0 108.352 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.6 m -66.84 -20.97 66.03 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.292 -0.88 . . . . 0.0 110.454 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.594 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 18.6 m -50.12 -55.98 12.79 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.472 -1.392 . . . . 0.0 107.92 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 104' ' ' LYS . 1.4 mp -58.19 -56.03 18.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -58.05 -50.37 73.68 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.53 -1.356 . . . . 0.0 111.033 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -62.09 -32.83 73.42 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.029 -1.045 . . . . 0.0 110.148 -179.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.506 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.5 m-30 -70.24 -1.74 11.22 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.7 t30 89.62 63.97 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 105.058 -2.201 . . . . 0.0 105.058 -176.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.515 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.1 OUTLIER 47.76 54.4 9.93 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 -176.533 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.471 ' NZ ' ' CZ ' ' A' ' 65' ' ' PHE . 14.5 tptp 60.61 -84.63 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.365 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.88 11.32 1.6 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.599 -1.313 . . . . 0.0 109.054 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 CA-C-O 117.942 -1.477 . . . . 0.0 109.591 -179.836 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 1' ' ' ALA . 23.1 t70 51.47 166.4 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 122.322 1.058 . . . . 0.0 111.58 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.437 ' N ' ' CG ' ' A' ' 2' ' ' ASP . 2.0 mm? -58.18 -24.8 60.3 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.956 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.84 -16.69 4.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.879 -1.138 . . . . 0.0 109.191 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 8' ' ' GLU . 5.6 t70 -77.26 -42.56 36.62 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.253 -0.904 . . . . 0.0 109.952 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.637 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -50.2 -40.79 48.25 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 178.853 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.637 ' N ' HD21 ' A' ' 6' ' ' ASN . 2.6 m95 -58.8 -37.35 76.16 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 177.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' ASP . 39.1 tt0 -60.34 -41.68 94.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.531 -0.731 . . . . 0.0 109.449 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.471 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 5.1 m -57.12 -52.04 66.88 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.13 -28.13 69.56 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.613 0.721 . . . . 0.0 109.151 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -65.62 0.66 Allowed 'General case' 0 C--N 1.293 -1.875 0 O-C-N 120.847 -1.158 . . . . 0.0 110.104 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -54.38 -21.22 9.0 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 9' ' ' THR . 17.9 m-80 -68.4 -64.12 0.93 Allowed 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 117.723 -1.591 . . . . 0.0 107.811 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' O ' ' CG ' ' A' ' 18' ' ' GLU . 4.1 mm? -52.34 -31.27 32.6 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.341 -0.85 . . . . 0.0 108.971 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -58.5 -48.98 79.03 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.504 -0.747 . . . . 0.0 109.616 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.608 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.3 t -69.18 -57.69 7.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 120.815 -1.178 . . . . 0.0 111.002 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.404 HG21 HD11 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -49.93 -45.13 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 O-C-N 120.045 -1.66 . . . . 0.0 108.172 -178.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 5.1 mm-40 -58.84 -27.16 64.85 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 177.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 16' ' ' VAL . 11.6 mtpp -127.28 36.22 4.44 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.709 -0.619 . . . . 0.0 109.614 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.608 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -62.81 -27.67 69.47 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.105 -0.997 . . . . 0.0 110.605 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER 71.59 -33.8 0.28 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.382 -0.824 . . . . 0.0 109.377 -178.77 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.656 HD21 ' NE2' ' A' ' 25' ' ' GLN . 2.6 m-80 -153.5 154.36 34.21 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.212 -0.93 . . . . 0.0 109.658 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.64 -21.95 7.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.199 -0.938 . . . . 0.0 109.823 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -49.13 71.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.133 -0.98 . . . . 0.0 109.957 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.656 ' NE2' HD21 ' A' ' 22' ' ' ASN . 16.3 mp0 -72.69 -14.7 61.63 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.505 -1.372 . . . . 0.0 110.351 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.3 t -69.49 -57.08 9.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 120.903 -1.123 . . . . 0.0 108.457 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.673 ' HZ3' ' ND2' ' A' ' 80' ' ' ASN . 0.0 OUTLIER -58.85 -29.73 67.16 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 0.0 109.603 -179.734 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -62.06 2.14 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.001 -1.062 . . . . 0.0 108.789 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.84 -40.77 69.94 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.632 -0.667 . . . . 0.0 110.681 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.78 -34.27 75.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.489 -1.382 . . . . 0.0 109.984 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.8 m -65.44 -33.21 75.4 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.795 -1.19 . . . . 0.0 108.662 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -73.51 -35.42 65.59 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.652 ' O ' ' N ' ' A' ' 37' ' ' ALA . 1.5 mtp -57.32 -43.02 82.93 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.547 HH12 ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -48.39 -48.65 36.72 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.794 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -56.22 14.1 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.347 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.7 -19.94 66.09 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.384 -0.822 . . . . 0.0 110.067 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.652 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.61 -73.57 0.13 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.056 -1.028 . . . . 0.0 110.633 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 12.3 mt -61.53 -21.85 64.62 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.415 -178.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -59.98 -40.46 89.21 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -60.79 -31.51 70.88 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.506 HE22 ' CE ' ' A' ' 58' ' ' MET . 0.4 OUTLIER -46.0 -32.67 2.9 Favored 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.456 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -112.58 17.83 18.87 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.483 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -168.66 87.83 0.2 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.549 -1.344 . . . . 0.0 108.895 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 47' ' ' LYS . 1.2 p -138.93 160.11 64.24 Favored Pre-proline 0 N--CA 1.493 1.704 0 O-C-N 121.356 -0.84 . . . . 0.0 110.286 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -33.74 -41.01 0.18 Allowed 'Trans proline' 0 C--N 1.317 -1.112 0 C-N-CA 122.545 2.163 . . . . 0.0 113.681 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' LEU . 14.0 Cg_endo -98.5 3.92 1.2 Allowed 'Trans proline' 0 C--N 1.319 -1.001 0 C-N-CA 122.763 2.309 . . . . 0.0 111.76 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.57 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 37.98 25.96 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.996 -0.44 . . . . 0.0 109.858 -179.191 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 46' ' ' PRO . 2.8 tm? 39.82 -89.32 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 47' ' ' LYS . 2.2 pt-20 -72.37 110.14 6.58 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.805 -1.184 . . . . 0.0 108.137 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 3.5 p-10 -91.86 0.41 57.48 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.296 -0.878 . . . . 0.0 108.645 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.71 ' CG ' ' H ' ' A' ' 52' ' ' SER . 8.6 pttp -164.93 -70.74 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.413 -0.804 . . . . 0.0 109.648 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.71 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 3.7 m -177.26 70.46 0.23 Allowed Pre-proline 0 C--N 1.309 -1.185 0 O-C-N 121.033 -1.042 . . . . 0.0 109.371 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -64.41 -78.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 121.886 1.724 . . . . 0.0 111.32 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 55' ' ' SER . 1.8 m-20 -132.47 -54.33 0.95 Allowed 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 53.4 p 112.94 -44.7 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.524 0 C-N-CA 123.691 0.797 . . . . 0.0 112.05 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' C ' ' H ' ' A' ' 58' ' ' MET . 3.9 Cg_exo -78.21 -38.35 0.61 Allowed 'Trans proline' 0 N--CA 1.49 1.305 0 CA-C-N 121.858 1.699 . . . . 0.0 109.606 177.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -58.96 -8.5 1.42 Allowed 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.506 ' CE ' HE22 ' A' ' 41' ' ' GLN . 18.4 ttt -65.64 -51.23 61.16 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.14 -0.975 . . . . 0.0 109.156 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -53.01 -31.86 43.4 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.484 -1.385 . . . . 0.0 107.986 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 63' ' ' HIS . 6.2 t70 -56.75 -38.32 72.27 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 58' ' ' MET . 30.3 t80 -53.43 -35.51 60.54 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 177.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.601 ' O ' ' N ' ' A' ' 66' ' ' ASP . 14.4 ttt180 -56.4 -36.02 68.44 Favored 'General case' 0 C--O 1.204 -1.334 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 176.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 60' ' ' ASP . 7.1 t60 -50.46 -45.14 55.94 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.51 -48.05 59.2 Favored Glycine 0 N--CA 1.498 2.797 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -67.26 -32.82 74.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.489 -1.006 . . . . 0.0 109.028 179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 62' ' ' ARG . 37.0 t70 -55.63 -39.95 71.51 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 mt -66.24 -64.32 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.374 -0.829 . . . . 0.0 109.905 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 pp -54.19 -44.78 71.86 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.263 -0.898 . . . . 0.0 109.92 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.547 ' CG1' HH12 ' A' ' 34' ' ' ARG . 84.8 t -67.73 -19.38 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 120.65 -1.281 . . . . 0.0 110.457 178.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.23 -49.49 32.69 Favored Glycine 0 N--CA 1.494 2.561 0 C-N-CA 120.217 -0.992 . . . . 0.0 111.061 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -25.24 62.53 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.925 -1.338 . . . . 0.0 110.101 -179.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.9 mt -61.84 -57.74 10.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 120.932 -1.105 . . . . 0.0 108.165 179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.3 p30 -60.01 -37.53 79.97 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.401 -0.812 . . . . 0.0 109.037 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.522 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 61.4 t0 -59.76 -20.31 55.81 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 117.513 -1.675 . . . . 0.0 107.753 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.83 -35.35 69.86 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.521 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.4 tt -58.59 -42.36 87.9 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -61.87 -48.1 82.02 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 122.4 1.095 . . . . 0.0 109.96 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.592 ' O ' ' N ' ' A' ' 81' ' ' GLU . 6.3 mp -62.64 -58.55 7.13 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.508 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.95 -34.1 1.58 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.083 -1.011 . . . . 0.0 110.043 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.673 ' ND2' ' HZ3' ' A' ' 27' ' ' LYS . 1.8 m120 -66.3 -28.36 68.63 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 78' ' ' LEU . 33.8 tt0 -85.71 3.29 41.81 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.41 39.65 6.28 Favored Glycine 0 N--CA 1.496 2.638 0 O-C-N 121.267 -0.896 . . . . 0.0 111.247 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -100.3 62.12 1.08 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.964 -1.315 . . . . 0.0 109.437 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.23 -41.36 86.61 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 O-C-N 121.5 -0.75 . . . . 0.0 110.499 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -50.23 20.0 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.025 -1.047 . . . . 0.0 110.279 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -40.76 97.46 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.72 -0.612 . . . . 0.0 110.277 -178.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.09 -47.9 82.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.003 -1.06 . . . . 0.0 109.87 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -64.0 -48.22 77.26 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.954 -1.091 . . . . 0.0 109.181 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.75 90.86 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.112 -0.993 . . . . 0.0 108.914 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.463 ' O ' ' CG ' ' A' ' 93' ' ' GLN . . . -60.55 -39.59 88.46 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.95 -43.0 77.04 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.989 -1.069 . . . . 0.0 108.155 178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.09 -12.71 20.71 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.268 -0.895 . . . . 0.0 109.489 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.59 ' C ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -76.61 -32.06 57.82 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 178.409 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 35.9 tp -66.29 -46.91 75.36 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.081 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -53.84 -66.29 0.42 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.162 -0.962 . . . . 0.0 109.769 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 m -65.0 -30.75 71.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.146 -0.971 . . . . 0.0 110.936 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.563 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.5 m -49.42 -57.41 7.01 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.658 -1.276 . . . . 0.0 108.901 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 104' ' ' LYS . 1.4 mp -53.53 -54.49 18.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.204 -0.935 . . . . 0.0 109.335 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -50.47 73.85 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.652 -1.28 . . . . 0.0 110.641 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.19 -29.16 70.18 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.0 -1.063 . . . . 0.0 109.646 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.5 m-30 -73.04 -3.65 27.53 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.1 t30 88.19 65.35 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 -176.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.499 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.2 OUTLIER 47.29 54.9 8.86 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 -176.387 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.416 ' N ' HG22 ' A' ' 98' ' ' ILE . 29.6 tptt 59.0 -84.49 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.231 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.72 15.98 1.11 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.398 -1.439 . . . . 0.0 108.851 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.124 0 CA-C-O 118.045 -1.42 . . . . 0.0 109.647 -179.31 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.555 0.693 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -75.34 -177.83 3.72 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.73 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -51.98 92.43 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.047 -1.033 . . . . 0.0 108.579 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 2' ' ' ASP . 9.7 pt-20 -173.72 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.573 -1.639 . . . . 0.0 106.573 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.75 -24.37 52.99 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.671 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -58.45 -43.45 88.82 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 105.088 -2.189 . . . . 0.0 105.088 177.889 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.671 ' N ' HD21 ' A' ' 6' ' ' ASN . 2.9 m95 -58.48 -38.28 77.27 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -60.68 -46.01 91.98 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.476 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 m -55.08 -52.31 63.61 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.21 -34.46 78.14 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -55.34 -64.01 0.98 Allowed 'General case' 0 C--N 1.292 -1.93 0 O-C-N 120.678 -1.264 . . . . 0.0 109.609 -179.22 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.51 -21.88 11.37 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.894 -0.504 . . . . 0.0 109.832 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -67.77 -55.91 11.24 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 117.41 -1.716 . . . . 0.0 108.019 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.6 mm? -58.71 -31.25 68.09 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.977 0.894 . . . . 0.0 109.106 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -58.84 -53.96 52.46 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.816 -0.553 . . . . 0.0 110.916 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.582 ' O ' ' N ' ' A' ' 20' ' ' ALA . 4.8 t -66.87 -52.54 43.46 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 120.597 -1.314 . . . . 0.0 111.797 -178.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -45.81 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.343 0 O-C-N 119.945 -1.722 . . . . 0.0 107.887 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 5.3 mm-40 -60.97 -26.22 67.39 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' VAL . 16.9 mtpp -124.42 36.18 4.66 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.582 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -62.18 -33.44 74.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.679 -0.638 . . . . 0.0 111.041 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 1.7 m-20 72.11 -32.25 0.24 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.46 -0.775 . . . . 0.0 109.28 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.548 ' H ' ' C ' ' A' ' 20' ' ' ALA . 1.5 m-80 -152.74 149.04 27.95 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.213 -0.929 . . . . 0.0 109.555 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.7 -17.18 2.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.287 -0.883 . . . . 0.0 109.212 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.56 -56.64 7.63 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.065 -1.022 . . . . 0.0 109.905 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.448 ' CD ' HD21 ' A' ' 22' ' ' ASN . 1.8 mp0 -65.1 -10.85 33.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.929 -1.107 . . . . 0.0 110.413 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.8 t -71.31 -51.15 36.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -55.54 -38.45 69.31 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.793 0.806 . . . . 0.0 109.281 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.44 -61.51 2.44 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.53 71.42 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.827 -0.749 . . . . 0.0 110.659 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.52 -30.64 69.86 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.891 -1.131 . . . . 0.0 110.025 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 m -68.18 -34.22 75.9 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.461 -1.399 . . . . 0.0 108.357 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -71.45 -34.79 70.57 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.717 ' O ' ' N ' ' A' ' 37' ' ' ALA . 16.8 mtt -57.01 -47.74 80.12 Favored 'General case' 0 C--O 1.199 -1.571 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' NH2' ' O ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -44.61 -49.8 10.05 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.056 -1.027 . . . . 0.0 108.535 179.269 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.69 -57.88 5.04 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.426 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.27 -25.62 67.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.337 -0.852 . . . . 0.0 110.005 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.717 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -64.94 -69.45 0.29 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.195 -0.941 . . . . 0.0 110.322 -179.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.416 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 19.5 mt -63.38 -21.1 66.08 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.151 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.69 -39.88 95.4 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 106.025 -1.843 . . . . 0.0 106.025 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.93 -32.04 67.4 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -50.4 -37.93 40.23 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 177.707 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -100.02 9.24 43.2 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.385 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.79 75.68 0.22 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.42 ' C ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -116.51 154.6 49.1 Favored Pre-proline 0 N--CA 1.494 1.748 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -178.517 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.405 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 31.9 Cg_exo -33.67 -40.9 0.17 Allowed 'Trans proline' 0 N--CA 1.487 1.124 0 C-N-CA 122.345 2.03 . . . . 0.0 113.785 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' A' ' 48' ' ' LEU . 12.0 Cg_endo -97.5 8.74 1.25 Allowed 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.962 2.441 . . . . 0.0 111.731 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.579 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 41.28 22.85 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.663 -0.648 . . . . 0.0 109.316 -178.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 46' ' ' PRO . 3.4 tm? 45.69 -89.64 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.6 pt-20 -64.95 106.27 1.2 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.962 -1.086 . . . . 0.0 108.696 178.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.482 ' OD1' ' NZ ' ' A' ' 47' ' ' LYS . 20.6 t70 -92.99 1.75 57.15 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.645 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -166.1 -78.71 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.848 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.645 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 14.3 m -172.32 71.54 0.44 Allowed Pre-proline 0 C--N 1.307 -1.27 0 O-C-N 121.258 -0.901 . . . . 0.0 109.109 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.92 -73.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.736 2.291 . . . . 0.0 110.907 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' A' ' 55' ' ' SER . 24.0 m-20 -136.69 -50.45 0.66 Allowed 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.455 ' HB3' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 99.3 -59.94 0.0 OUTLIER Pre-proline 0 N--CA 1.512 2.661 0 C-N-CA 125.368 1.467 . . . . 0.0 110.243 179.6 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.526 ' C ' ' H ' ' A' ' 58' ' ' MET . 27.8 Cg_exo -62.77 -51.1 3.32 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 CA-C-N 121.311 1.504 . . . . 0.0 110.743 177.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -2.9 0.09 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.682 -0.636 . . . . 0.0 109.438 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.526 ' H ' ' C ' ' A' ' 56' ' ' PRO . 23.7 ttt -61.93 -41.21 97.69 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.954 -1.091 . . . . 0.0 108.744 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 62' ' ' ARG . 0.4 OUTLIER -56.48 -33.98 66.48 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.542 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' HIS . 9.6 t70 -53.56 -38.52 63.96 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 107.119 -1.438 . . . . 0.0 107.119 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -54.62 -33.67 60.87 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.581 ' O ' ' N ' ' A' ' 66' ' ' ASP . 23.2 ttt180 -54.77 -38.33 67.1 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 106.997 -1.482 . . . . 0.0 106.997 176.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 60' ' ' ASP . 8.7 t60 -51.79 -36.34 47.28 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.24 -48.51 38.12 Favored Glycine 0 N--CA 1.502 3.035 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.06 -37.63 81.53 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 62' ' ' ARG . 19.5 t70 -46.12 -40.52 11.1 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.4 mt -65.94 -65.19 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.591 -0.693 . . . . 0.0 109.827 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.402 ' HG ' ' H ' ' A' ' 69' ' ' VAL . 2.4 pp -56.24 -50.55 71.0 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.241 -0.912 . . . . 0.0 110.88 -178.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.404 ' O ' ' NH2' ' A' ' 34' ' ' ARG . 5.9 m -63.72 -17.25 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 120.331 -1.481 . . . . 0.0 110.308 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.46 -53.94 18.5 Favored Glycine 0 N--CA 1.497 2.75 0 O-C-N 121.244 -0.91 . . . . 0.0 110.925 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.68 -19.28 64.38 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.695 -1.473 . . . . 0.0 109.425 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.6 mt -60.96 -63.02 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.8 p30 -55.74 -34.61 65.32 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 64.2 t0 -58.31 -20.67 44.9 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 117.776 -1.569 . . . . 0.0 107.73 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.33 -36.04 68.74 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 73' ' ' ASP . 6.4 tt -58.36 -41.81 85.55 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 177.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -60.97 -47.26 87.26 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.636 1.207 . . . . 0.0 109.436 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.5 mp -64.56 -57.84 8.02 Favored 'General case' 0 C--N 1.287 -2.152 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.621 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.66 -35.47 2.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.212 -0.93 . . . . 0.0 110.082 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.6 m120 -65.26 -29.65 70.45 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.742 -1.223 . . . . 0.0 107.849 178.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 78' ' ' LEU . 29.1 tt0 -84.78 3.5 37.3 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.77 41.77 5.9 Favored Glycine 0 N--CA 1.498 2.812 0 O-C-N 121.199 -0.938 . . . . 0.0 111.346 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -99.02 64.56 1.41 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.954 -1.321 . . . . 0.0 109.182 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.9 t -60.93 -47.36 93.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.772 -0.58 . . . . 0.0 110.693 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -76.02 -50.98 13.32 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.024 -1.048 . . . . 0.0 110.27 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -42.64 99.3 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.282 -178.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.7 86.98 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.853 -1.155 . . . . 0.0 109.384 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.431 ' O ' ' OE2' ' A' ' 92' ' ' GLU . 24.6 mt-30 -64.44 -40.96 96.74 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.096 -1.003 . . . . 0.0 109.104 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.46 84.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.944 -1.098 . . . . 0.0 108.316 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.74 -24.46 65.73 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 88' ' ' GLN . . . -61.64 -51.0 70.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.533 -0.729 . . . . 0.0 109.151 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 88' ' ' GLN . 1.8 mp0 -59.93 -14.11 14.19 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.018 -1.051 . . . . 0.0 109.262 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.606 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -73.05 -40.71 64.86 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.207 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.5 tp -67.67 -39.78 84.47 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.864 -1.148 . . . . 0.0 109.898 178.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -54.46 -73.45 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.155 -0.966 . . . . 0.0 110.768 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.0 m -65.9 -17.77 64.88 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.682 -1.261 . . . . 0.0 110.755 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.606 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.3 m -50.43 -60.57 2.87 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.568 -1.332 . . . . 0.0 107.61 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.3 mp -55.14 -48.65 75.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.47 -0.769 . . . . 0.0 108.984 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 ttp85 -61.69 -49.64 75.69 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.521 -1.362 . . . . 0.0 110.712 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -64.45 -30.86 71.89 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.894 -1.129 . . . . 0.0 110.504 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.6 m-30 -70.41 -1.89 12.07 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.2 t30 89.82 61.77 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 104.553 -2.388 . . . . 0.0 104.553 -176.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.497 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.1 OUTLIER 46.27 55.47 7.29 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.549 -1.649 . . . . 0.0 106.549 -175.808 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 98' ' ' ILE . 36.9 tptt 59.46 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 114.148 -1.387 . . . . 0.0 109.352 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.26 18.76 1.73 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.575 -1.328 . . . . 0.0 108.161 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.141 0 CA-C-O 117.969 -1.462 . . . . 0.0 109.613 -179.217 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' A' ' 3' ' ' LEU . 45.9 t0 -79.49 177.89 8.53 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.198 -0.939 . . . . 0.0 110.168 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.521 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 3.4 mm? -51.01 -51.3 54.42 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 4' ' ' GLU . 6.4 pm0 -60.3 -30.68 69.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.208 -0.933 . . . . 0.0 110.013 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 5' ' ' ASP . 62.4 t0 -74.61 -35.84 62.96 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.906 -1.121 . . . . 0.0 109.825 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.612 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -51.84 -41.66 61.98 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 178.482 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.612 ' N ' HD21 ' A' ' 6' ' ' ASN . 2.8 m95 -58.79 -39.88 82.36 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 177.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.45 -45.96 90.13 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 m -56.29 -52.46 64.43 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.26 -25.71 67.78 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.553 0.692 . . . . 0.0 109.355 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 7' ' ' TRP . 1.4 t-20 -64.14 -66.12 0.59 Allowed 'General case' 0 C--N 1.292 -1.928 0 O-C-N 120.847 -1.158 . . . . 0.0 109.988 -179.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -53.45 -20.56 4.86 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.553 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -64.03 -59.52 4.37 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 118.069 -1.452 . . . . 0.0 108.281 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.1 mm? -58.57 -34.62 71.26 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.475 -0.765 . . . . 0.0 109.279 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -56.04 -46.73 78.77 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.691 -0.63 . . . . 0.0 110.322 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.633 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.8 t -68.84 -58.36 6.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 120.768 -1.208 . . . . 0.0 111.048 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -48.3 -46.48 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 120.256 -1.527 . . . . 0.0 108.211 -179.184 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' OE2' ' NZ ' ' A' ' 95' ' ' LYS . 1.5 mm-40 -58.93 -30.34 67.78 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.519 ' N ' ' O ' ' A' ' 16' ' ' VAL . 15.6 mtpp -127.18 38.9 4.0 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.53 -0.731 . . . . 0.0 110.081 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.633 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.95 -22.04 66.93 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.256 -0.903 . . . . 0.0 110.371 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.19 -34.38 0.27 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.43 -0.794 . . . . 0.0 109.19 -178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.768 HD21 HE22 ' A' ' 25' ' ' GLN . 6.9 m-80 -152.86 149.79 28.65 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.35 -0.844 . . . . 0.0 109.44 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.3 -15.72 0.42 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.913 . . . . 0.0 109.688 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -54.85 16.42 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.9 -1.125 . . . . 0.0 110.478 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.768 HE22 HD21 ' A' ' 22' ' ' ASN . 2.2 mt-30 -65.03 -15.73 62.65 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.844 -1.16 . . . . 0.0 110.114 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 t -69.93 -49.92 52.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -54.58 -38.41 66.68 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.831 0.824 . . . . 0.0 109.505 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -64.4 0.9 Allowed 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.803 -0.561 . . . . 0.0 110.17 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.83 -49.08 50.3 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.478 -0.764 . . . . 0.0 110.906 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.554 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 47.0 mt -57.89 -37.9 74.82 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.789 -1.194 . . . . 0.0 109.478 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.0 m -62.26 -33.31 74.37 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.285 -1.51 . . . . 0.0 109.029 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -73.28 -37.36 66.29 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.623 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -57.34 -42.24 81.6 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.293 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.554 ' NH1' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -49.71 -51.02 41.66 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 177.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.46 -54.52 13.89 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.99 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.22 -26.1 68.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.111 -0.993 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.623 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -64.85 -66.8 0.5 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 110.896 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.26 -19.96 56.99 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.047 -1.061 . . . . 0.0 109.358 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -62.52 -40.18 95.94 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.04 -29.42 69.72 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.551 ' NE2' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -48.29 -44.37 33.71 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 178.603 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -100.98 15.25 29.29 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 121.255 0.55 . . . . 0.0 109.719 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.82 63.12 0.11 Allowed 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -106.03 154.58 39.44 Favored Pre-proline 0 C--N 1.298 -1.646 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -178.457 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.497 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 13.2 Cg_exo -31.85 -40.88 0.1 Allowed 'Trans proline' 0 N--CA 1.487 1.143 0 C-N-CA 122.667 2.244 . . . . 0.0 114.408 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.521 ' C ' ' H ' ' A' ' 48' ' ' LEU . 20.3 Cg_endo -97.73 -7.24 0.84 Allowed 'Trans proline' 0 C--N 1.316 -1.179 0 C-N-CA 122.596 2.197 . . . . 0.0 111.387 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.589 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.2 mtpp 67.89 -4.15 1.05 Allowed 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 46' ' ' PRO . 2.9 tm? 65.13 -56.47 0.3 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 106.595 -1.632 . . . . 0.0 106.595 -177.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' A' ' 47' ' ' LYS . 60.7 mt-10 -91.66 104.48 16.94 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 177.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.51 -4.36 51.23 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.074 -1.016 . . . . 0.0 108.359 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.573 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -167.06 -75.51 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.728 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.573 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 11.2 m -171.88 60.55 0.3 Allowed Pre-proline 0 C--N 1.306 -1.287 0 O-C-N 121.349 -0.844 . . . . 0.0 109.75 178.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -51.95 -73.15 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.957 1.771 . . . . 0.0 111.453 179.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.551 ' O ' ' CB ' ' A' ' 55' ' ' SER . 2.4 m-20 -139.18 -60.6 0.57 Allowed 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 60.4 p 114.69 -43.48 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.477 0 C-N-CA 123.849 0.86 . . . . 0.0 111.291 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.504 ' C ' ' H ' ' A' ' 58' ' ' MET . 3.3 Cg_exo -77.63 -42.39 0.27 Allowed 'Trans proline' 0 N--CA 1.491 1.342 0 CA-C-N 121.346 1.516 . . . . 0.0 109.811 177.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -58.9 -2.82 0.27 Allowed 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.398 0.618 . . . . 0.0 109.408 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.551 ' SD ' ' NE2' ' A' ' 41' ' ' GLN . 7.1 tmm? -67.7 -53.65 25.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.876 -1.14 . . . . 0.0 109.682 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 62' ' ' ARG . 18.0 tptt -54.03 -35.99 62.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.587 -1.32 . . . . 0.0 108.502 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.6 -33.46 66.25 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -56.98 -32.39 66.03 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 66' ' ' ASP . 19.8 ttp180 -54.67 -45.74 73.95 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -28.76 7.81 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.07 -50.11 19.09 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 108.107 -1.997 . . . . 0.0 108.107 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -71.87 -35.93 69.95 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.555 ' N ' ' O ' ' A' ' 62' ' ' ARG . 16.3 t0 -53.99 -39.8 66.37 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -178.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mm -66.73 -63.09 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.508 -0.745 . . . . 0.0 110.536 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.5 pp -52.99 -44.03 66.9 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.04 -1.038 . . . . 0.0 109.248 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -14.99 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 120.675 -1.266 . . . . 0.0 109.079 178.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.03 -60.94 4.89 Favored Glycine 0 N--CA 1.485 1.918 0 C-N-CA 119.818 -1.182 . . . . 0.0 111.59 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.505 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -70.06 -22.36 63.08 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.601 -1.529 . . . . 0.0 109.724 -178.599 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.6 mt -63.53 -59.78 3.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.984 -1.073 . . . . 0.0 108.294 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -57.23 -34.82 68.96 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -61.58 -20.74 63.65 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.206 -1.559 . . . . 0.0 107.808 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.1 -33.78 68.13 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 176.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.457 HD23 HD22 ' A' ' 80' ' ' ASN . 4.4 tt -58.3 -39.17 78.63 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 177.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -63.12 -46.26 88.11 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 122.347 1.07 . . . . 0.0 109.476 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.6 mp -64.4 -54.85 26.31 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.86 -32.61 2.71 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.063 -1.023 . . . . 0.0 109.799 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.457 HD22 HD23 ' A' ' 76' ' ' LEU . 2.4 m120 -63.19 -31.63 72.82 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' A' ' 78' ' ' LEU . 2.5 tp10 -84.84 3.83 36.0 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.7 47.58 5.3 Favored Glycine 0 N--CA 1.496 2.658 0 O-C-N 121.178 -0.951 . . . . 0.0 111.029 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 14.6 mmtp -102.0 68.78 1.14 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.119 -1.224 . . . . 0.0 110.013 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.0 t -63.83 -40.15 88.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 O-C-N 121.698 -0.626 . . . . 0.0 110.114 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -55.29 6.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.11 -0.994 . . . . 0.0 110.385 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.56 -40.98 96.66 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.611 -0.68 . . . . 0.0 110.065 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.32 -50.5 67.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.059 -1.026 . . . . 0.0 110.328 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.418 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 25.8 mt-30 -62.33 -39.77 94.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.904 -1.123 . . . . 0.0 108.893 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.98 92.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.844 -1.16 . . . . 0.0 108.04 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.61 -20.72 61.43 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 88' ' ' GLN . . . -64.88 -52.65 55.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.664 -0.648 . . . . 0.0 109.565 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.89 -13.24 14.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.283 -0.886 . . . . 0.0 108.857 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.588 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.95 -40.04 61.0 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 178.589 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.6 tp -68.3 -45.02 74.14 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.278 -0.889 . . . . 0.0 109.126 178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.424 ' NZ ' ' OE2' ' A' ' 18' ' ' GLU . 17.5 mttt -54.24 -66.61 0.37 Allowed 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.985 -1.072 . . . . 0.0 110.087 -179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -65.64 -23.42 66.8 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.124 -0.985 . . . . 0.0 110.662 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.588 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.5 m -50.03 -58.27 5.85 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.652 -1.28 . . . . 0.0 108.02 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 104' ' ' LYS . 1.4 mp -55.92 -55.52 17.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.585 -0.697 . . . . 0.0 109.284 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.572 ' HE ' ' C ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -58.65 -50.87 72.26 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.67 -1.269 . . . . 0.0 110.638 -179.097 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.89 -31.02 71.28 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.853 -1.154 . . . . 0.0 109.624 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.485 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.0 m-30 -72.52 -4.09 28.48 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.1 t30 88.97 63.8 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 104.56 -2.385 . . . . 0.0 104.56 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.438 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.5 OUTLIER 46.99 58.95 4.32 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 -175.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.405 ' N ' HG23 ' A' ' 98' ' ' ILE . 29.1 tptt 58.27 -80.75 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.22 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -144.37 5.34 1.25 Allowed 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.473 -1.392 . . . . 0.0 109.088 178.612 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 CA-C-O 117.937 -1.479 . . . . 0.0 109.591 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.243 0.544 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -78.45 175.62 10.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.242 -0.911 . . . . 0.0 109.516 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -46.28 75.11 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.969 -1.082 . . . . 0.0 109.856 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -62.07 -15.05 42.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.26 -0.9 . . . . 0.0 111.015 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -75.96 -36.02 59.44 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.175 -1.578 . . . . 0.0 108.872 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.551 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -52.4 -39.75 61.29 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 178.489 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.551 ' N ' HD21 ' A' ' 6' ' ' ASN . 2.1 m95 -59.58 -38.27 80.74 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 5' ' ' ASP . 36.0 tt0 -57.9 -43.54 86.19 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.516 -0.74 . . . . 0.0 109.328 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.493 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.7 m -57.1 -54.5 46.05 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.13 -27.56 68.82 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.6 OUTLIER -60.89 -65.19 0.73 Allowed 'General case' 0 C--N 1.292 -1.925 0 O-C-N 120.699 -1.251 . . . . 0.0 110.058 -179.106 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.88 -19.3 6.28 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.875 -0.516 . . . . 0.0 109.874 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 9' ' ' THR . 11.2 m-80 -67.54 -57.96 5.55 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 117.748 -1.581 . . . . 0.0 108.469 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.476 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.7 mm? -57.16 -31.11 65.06 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.036 -1.04 . . . . 0.0 108.837 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -59.8 -48.53 81.3 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.692 -0.63 . . . . 0.0 110.557 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.5 t -68.49 -56.47 12.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 120.692 -1.255 . . . . 0.0 111.133 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -49.2 -45.41 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 O-C-N 120.302 -1.499 . . . . 0.0 107.938 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 11.4 mm-40 -59.76 -27.58 66.65 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 16' ' ' VAL . 9.1 mtpp -127.8 34.17 4.68 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.548 -0.72 . . . . 0.0 110.327 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.629 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.67 -21.07 66.64 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.011 -1.055 . . . . 0.0 110.535 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 19' ' ' LYS . 0.9 OUTLIER 69.11 -32.45 0.22 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.635 -0.666 . . . . 0.0 109.531 -178.835 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.568 ' H ' ' C ' ' A' ' 20' ' ' ALA . 4.4 m-80 -153.4 150.56 28.96 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.24 -0.913 . . . . 0.0 109.855 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.89 -13.84 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.93 . . . . 0.0 108.814 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.439 ' H ' ' C ' ' A' ' 22' ' ' ASN . . . -67.07 -61.12 2.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.231 -0.918 . . . . 0.0 110.113 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.49 HE22 HD21 ' A' ' 22' ' ' ASN . 1.0 OUTLIER -66.54 -10.5 45.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.889 -1.132 . . . . 0.0 110.292 -179.189 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.4 t -70.35 -58.87 4.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 120.859 -1.151 . . . . 0.0 108.165 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -57.2 -31.01 65.02 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.569 -0.707 . . . . 0.0 109.84 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.24 -61.31 2.44 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.124 -0.985 . . . . 0.0 109.051 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.41 -43.84 44.77 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.303 -179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.536 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 14.8 mt -60.93 -37.27 81.72 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.837 -1.164 . . . . 0.0 110.172 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -62.86 -29.14 70.52 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.675 -1.266 . . . . 0.0 108.35 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -72.48 -39.29 67.82 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.696 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.2 mtm -57.67 -42.58 83.86 Favored 'General case' 0 C--O 1.199 -1.586 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.551 HH12 ' CB ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -46.99 -47.27 22.0 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.899 -1.126 . . . . 0.0 108.081 178.792 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.1 -55.82 11.08 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.6 -19.05 65.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.433 -0.792 . . . . 0.0 109.884 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.696 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -65.41 -71.68 0.18 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.195 -0.941 . . . . 0.0 110.323 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.597 ' CD2' ' HE ' ' A' ' 62' ' ' ARG . 8.2 mt -64.16 -19.04 65.03 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.148 -1.021 . . . . 0.0 109.355 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -63.98 -40.89 97.41 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -59.0 -31.58 68.93 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.689 HE21 ' HZ1' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -47.71 -40.17 19.56 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 177.618 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.689 ' HZ1' HE21 ' A' ' 41' ' ' GLN . 36.2 mmtt -98.73 107.59 20.07 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 42' ' ' LYS . . . 80.58 73.42 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 122.132 0.967 . . . . 0.0 109.418 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -113.48 161.44 27.28 Favored Pre-proline 0 N--CA 1.5 2.055 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.723 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.444 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 32.1 Cg_exo -33.44 -41.0 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.975 1.783 . . . . 0.0 114.099 -178.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' LEU . 25.3 Cg_endo -100.28 10.61 0.61 Allowed 'Trans proline' 0 C--N 1.316 -1.174 0 C-N-CA 123.094 2.529 . . . . 0.0 110.961 178.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.624 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 40.71 26.12 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.117 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 46' ' ' PRO . 3.5 tm? 39.61 -86.47 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.624 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.9 pt-20 -71.41 105.68 3.64 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.86 -1.15 . . . . 0.0 108.682 178.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -91.15 -3.59 56.91 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.705 ' CG ' ' H ' ' A' ' 52' ' ' SER . 9.6 pttp -164.95 -68.68 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.705 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 3.3 m -179.22 63.45 0.14 Allowed Pre-proline 0 C--N 1.308 -1.205 0 O-C-N 121.206 -0.934 . . . . 0.0 109.554 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.85 -73.95 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.067 1.845 . . . . 0.0 111.742 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.9 OUTLIER -140.11 -61.12 0.52 Allowed 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 26.4 p 111.0 -43.61 0.0 OUTLIER Pre-proline 0 N--CA 1.507 2.413 0 C-N-CA 123.881 0.872 . . . . 0.0 110.993 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.405 ' HD3' ' OG ' ' A' ' 55' ' ' SER . 19.6 Cg_exo -66.26 -37.07 25.67 Favored 'Trans proline' 0 N--CA 1.49 1.289 0 CA-C-N 121.367 1.524 . . . . 0.0 109.179 177.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.658 ' O ' ' N ' ' A' ' 60' ' ' ASP . 22.1 tt0 -57.53 -64.46 0.89 Allowed 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.546 ' C ' ' O ' ' A' ' 57' ' ' GLU . 11.1 ttt 8.23 -77.17 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.428 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 178.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.553 ' O ' ' N ' ' A' ' 62' ' ' ARG . 18.7 tptt -51.27 -39.64 57.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.178 -0.951 . . . . 0.0 109.101 -179.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.658 ' N ' ' O ' ' A' ' 57' ' ' GLU . 7.6 t0 -53.48 -35.17 60.28 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 178.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.478 ' N ' ' O ' ' A' ' 58' ' ' MET . 10.4 t80 -55.21 -36.86 66.41 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 177.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.6 ' O ' ' N ' ' A' ' 66' ' ' ASP . 17.3 ttt180 -52.42 -36.11 53.55 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 60' ' ' ASP . 9.8 t60 -51.32 -34.66 34.54 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.49 -48.66 42.74 Favored Glycine 0 N--CA 1.497 2.723 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 178.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -72.44 -43.32 63.96 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.393 -1.063 . . . . 0.0 108.27 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.6 ' N ' ' O ' ' A' ' 62' ' ' ARG . 50.0 t0 -46.93 -44.01 19.5 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.3 mm -62.33 -66.34 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.363 -0.836 . . . . 0.0 109.245 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -37.02 70.39 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.165 -0.959 . . . . 0.0 109.504 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.19 -21.11 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 120.859 -1.151 . . . . 0.0 110.169 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.5 -48.91 21.49 Favored Glycine 0 N--CA 1.495 2.606 0 O-C-N 121.117 -0.989 . . . . 0.0 110.967 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -71.57 -26.43 62.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.868 -1.372 . . . . 0.0 110.642 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 25.7 mt -60.55 -60.08 3.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 1.9 p30 -56.48 -32.0 64.58 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 48.1 t0 -61.95 -22.79 65.92 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 117.754 -1.579 . . . . 0.0 108.012 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.88 -34.86 72.03 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 105.777 -1.934 . . . . 0.0 105.777 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.423 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 5.1 tt -59.32 -42.34 91.18 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 106.773 -1.565 . . . . 0.0 106.773 177.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -62.47 -45.95 90.7 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 122.257 1.027 . . . . 0.0 110.001 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.7 mp -63.49 -52.88 59.38 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.88 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.8 -42.47 17.13 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.031 -1.043 . . . . 0.0 109.42 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' A' ' 80' ' ' ASN . 0.7 OUTLIER -61.76 -25.71 67.63 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.851 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 78' ' ' LEU . 66.2 tt0 -87.04 5.88 35.28 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.52 38.88 7.43 Favored Glycine 0 N--CA 1.497 2.723 0 O-C-N 121.378 -0.826 . . . . 0.0 111.392 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -100.28 68.96 1.45 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.936 -1.332 . . . . 0.0 109.808 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 64.7 t -63.53 -52.75 53.91 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 121.717 -0.614 . . . . 0.0 110.135 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.51 -49.69 21.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.22 -0.925 . . . . 0.0 110.405 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -57.08 -43.76 82.47 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.666 -0.646 . . . . 0.0 109.636 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.85 97.87 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.038 -1.039 . . . . 0.0 109.142 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.44 ' O ' ' OE2' ' A' ' 92' ' ' GLU . 28.2 mt-30 -64.76 -39.24 93.28 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.236 -0.915 . . . . 0.0 108.629 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.26 96.04 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.17 -22.2 65.7 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.29 -53.33 50.57 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.231 -0.918 . . . . 0.0 109.02 179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' A' ' 88' ' ' GLN . 2.2 mp0 -58.64 -15.74 13.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.889 -1.132 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.597 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.06 -37.86 64.12 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.9 tp -67.94 -41.2 82.89 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.885 0.85 . . . . 0.0 109.986 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -56.4 -65.67 0.57 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.711 -1.243 . . . . 0.0 109.296 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -65.6 -21.96 66.63 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.282 -0.886 . . . . 0.0 110.273 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.597 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 3.2 m -49.31 -57.93 5.96 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.577 -1.327 . . . . 0.0 108.328 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.442 HG21 ' N ' ' A' ' 104' ' ' LYS . 2.8 mp -58.76 -53.85 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.68 -0.637 . . . . 0.0 110.075 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -60.87 -50.14 74.62 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.688 -1.258 . . . . 0.0 110.777 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.0 -31.25 71.6 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.906 -1.121 . . . . 0.0 109.715 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.0 m-30 -72.09 -4.9 31.61 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.8 t30 88.7 66.11 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 -176.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.528 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.0 OUTLIER 46.88 54.79 8.67 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 -176.516 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.442 ' N ' HG21 ' A' ' 98' ' ' ILE . 22.2 tptp 60.06 -81.76 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 114.196 -1.365 . . . . 0.0 110.104 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.17 7.12 1.98 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.476 -1.39 . . . . 0.0 108.937 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.454 0.645 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.54 ' CG ' ' H ' ' A' ' 3' ' ' LEU . 14.8 t70 -81.82 -173.37 4.42 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.795 0.807 . . . . 0.0 110.565 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.54 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER -49.26 -28.53 4.77 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.8 -10.31 2.31 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.165 -0.96 . . . . 0.0 109.314 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 8' ' ' GLU . 1.5 p30 -76.13 -47.88 22.73 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.183 -0.948 . . . . 0.0 110.435 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.504 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -48.4 -38.74 20.35 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 179.211 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.504 ' N ' HD21 ' A' ' 6' ' ' ASN . 2.0 m95 -59.82 -40.97 90.21 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 5' ' ' ASP . 30.9 tt0 -57.66 -44.05 85.4 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.487 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.3 m -55.92 -54.33 46.07 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.09 -30.89 71.88 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 179.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -60.28 -64.71 0.86 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 120.927 -1.108 . . . . 0.0 109.814 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.41 -22.52 7.79 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.552 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 9' ' ' THR . 17.6 m-80 -70.56 -65.02 0.79 Allowed 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 118.485 -1.286 . . . . 0.0 108.735 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.1 mm? -53.54 -31.97 48.64 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.069 -1.019 . . . . 0.0 108.466 178.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -59.16 -50.95 72.08 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.419 0.628 . . . . 0.0 110.063 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.669 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.5 t -64.93 -52.62 51.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.059 -1.026 . . . . 0.0 110.455 -178.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -51.42 -49.78 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 119.987 -1.695 . . . . 0.0 107.485 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.51 -30.67 54.26 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -129.16 39.17 3.81 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.429 -0.795 . . . . 0.0 110.223 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.669 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -66.16 -24.76 66.71 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.053 -1.029 . . . . 0.0 110.962 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 70.08 -34.21 0.28 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.477 -0.764 . . . . 0.0 109.391 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.778 HD21 HE22 ' A' ' 25' ' ' GLN . 7.1 m-80 -152.99 152.18 31.11 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.246 -0.909 . . . . 0.0 109.68 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.69 -17.81 1.5 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 109.681 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.74 -54.67 20.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.962 -1.086 . . . . 0.0 110.39 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.778 HE22 HD21 ' A' ' 22' ' ' ASN . 2.2 mt-30 -65.45 -16.48 63.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.848 -1.158 . . . . 0.0 109.995 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 t -70.04 -53.36 24.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 107.489 -1.301 . . . . 0.0 107.489 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.4 ' HG2' ' ND2' ' A' ' 80' ' ' ASN . 36.9 mtpt -56.34 -36.45 68.77 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.716 0.769 . . . . 0.0 109.867 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 -62.82 1.49 Allowed 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.789 -0.57 . . . . 0.0 109.946 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.95 -45.73 64.49 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.631 -0.668 . . . . 0.0 111.161 -178.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.79 -34.33 72.89 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.934 -1.104 . . . . 0.0 110.175 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m -65.25 -32.74 74.56 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.703 -1.248 . . . . 0.0 108.473 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -73.12 -38.07 66.46 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.65 ' O ' ' N ' ' A' ' 37' ' ' ALA . 12.3 mtp -57.22 -40.61 77.86 Favored 'General case' 0 C--O 1.202 -1.422 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.651 ' N ' ' NH1' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -49.18 -49.87 40.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.804 -1.185 . . . . 0.0 107.823 178.819 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.64 65.04 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.08 -19.52 65.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.557 -0.715 . . . . 0.0 109.908 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.65 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.82 -75.24 0.1 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.162 -0.961 . . . . 0.0 110.557 -178.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -20.68 66.05 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 118.947 -1.101 . . . . 0.0 110.051 -178.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -61.92 -42.38 99.02 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.42 -30.11 68.24 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.406 ' O ' ' OE1' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -48.99 -38.2 22.55 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.272 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -84.72 -4.93 59.27 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.831 -0.543 . . . . 0.0 111.236 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.66 120.74 1.27 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.55 -1.344 . . . . 0.0 109.349 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.29 168.13 13.84 Favored Pre-proline 0 N--CA 1.498 1.928 0 O-C-N 120.977 -1.077 . . . . 0.0 109.788 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.48 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 31.9 Cg_exo -37.24 -41.74 0.87 Allowed 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 123.276 2.651 . . . . 0.0 114.765 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.501 ' O ' ' O ' ' A' ' 47' ' ' LYS . 67.7 Cg_endo -105.16 1.45 0.23 Allowed 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 123.09 2.527 . . . . 0.0 111.687 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.501 ' O ' ' O ' ' A' ' 46' ' ' PRO . 4.1 mptt 55.86 113.61 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' ' 48' ' ' LEU . 3.4 tm? -57.93 -17.06 14.44 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.65 ' C ' ' H ' ' A' ' 51' ' ' LYS . 30.8 mt-10 -101.71 -71.94 0.7 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.314 -0.867 . . . . 0.0 110.014 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 65.54 -32.01 0.15 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.177 -0.952 . . . . 0.0 109.094 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.675 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.6 OUTLIER -164.23 -83.42 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.675 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 9.5 m -172.86 65.08 0.34 Allowed Pre-proline 0 N--CA 1.485 1.308 0 O-C-N 121.235 -0.916 . . . . 0.0 109.77 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -54.21 -73.62 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 122.908 2.406 . . . . 0.0 112.456 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.56 ' O ' ' CB ' ' A' ' 55' ' ' SER . 1.3 m-20 -138.07 -70.14 0.44 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 52.1 p 111.9 -41.76 0.0 OUTLIER Pre-proline 0 N--CA 1.506 2.335 0 C-N-CA 123.572 0.749 . . . . 0.0 110.479 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.24 -35.83 49.63 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 CA-C-N 121.129 1.439 . . . . 0.0 108.956 176.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.599 ' O ' ' N ' ' A' ' 60' ' ' ASP . 28.1 tt0 -57.03 -67.56 0.3 Allowed 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.597 ' SD ' ' N ' ' A' ' 59' ' ' LYS . 2.0 tmt? 12.84 -80.02 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.204 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.597 ' N ' ' SD ' ' A' ' 58' ' ' MET . 12.6 tptt -52.92 -41.79 64.76 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.476 -1.39 . . . . 0.0 108.818 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -53.71 -36.44 62.24 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 178.366 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -55.06 -38.37 67.93 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 176.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.584 ' O ' ' N ' ' A' ' 66' ' ' ASP . 12.4 ttp180 -54.94 -30.76 59.43 Favored 'General case' 0 C--O 1.203 -1.382 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 60' ' ' ASP . 6.4 t60 -56.69 -38.78 72.74 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.77 -46.42 60.92 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -72.54 -42.69 64.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.532 -0.981 . . . . 0.0 109.03 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 62' ' ' ARG . 23.0 t0 -48.08 -43.51 30.69 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.63 -68.57 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 O-C-N 121.497 -0.752 . . . . 0.0 110.123 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.56 -36.74 62.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -0.935 . . . . 0.0 109.995 -178.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.1 t -67.61 -24.84 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.615 -1.303 . . . . 0.0 110.129 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.28 -44.96 63.1 Favored Glycine 0 N--CA 1.493 2.44 0 C-N-CA 120.276 -0.964 . . . . 0.0 110.708 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -23.55 61.36 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.822 -1.399 . . . . 0.0 110.206 -179.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.464 ' CG2' ' NH2' ' A' ' 34' ' ' ARG . 18.6 mt -60.57 -61.25 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -59.17 -30.76 68.43 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.805 -0.559 . . . . 0.0 109.912 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.97 -24.71 68.02 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 117.637 -1.625 . . . . 0.0 108.811 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.83 -33.86 71.11 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 176.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.408 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 4.7 tt -58.21 -39.96 80.36 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 177.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -64.29 -49.64 71.03 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 122.215 1.007 . . . . 0.0 110.079 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.3 mp -62.98 -56.36 17.76 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.705 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.01 -35.81 2.23 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.196 -0.94 . . . . 0.0 110.103 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.7 m120 -66.21 -29.23 69.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.881 -1.137 . . . . 0.0 107.998 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 78' ' ' LEU . 27.9 tt0 -84.91 7.57 20.57 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.0 39.13 7.59 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 121.324 -0.86 . . . . 0.0 111.838 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -101.42 59.52 0.88 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.841 -1.387 . . . . 0.0 109.837 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.1 t -58.77 -46.35 90.81 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 O-C-N 121.283 -0.886 . . . . 0.0 109.969 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -56.13 5.35 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.195 -0.941 . . . . 0.0 110.193 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.83 -40.91 76.91 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 121.75 -0.594 . . . . 0.0 109.547 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.1 97.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.035 -1.04 . . . . 0.0 108.83 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -64.73 -40.95 96.19 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.11 -0.994 . . . . 0.0 108.83 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.6 -40.19 82.56 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.14 -25.52 67.79 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.7 -44.44 93.64 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.06 -16.37 63.38 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.436 -0.79 . . . . 0.0 109.058 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.555 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.72 -44.66 48.76 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.157 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.442 ' N ' ' HG3' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -70.77 -36.5 73.11 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 109.888 -179.617 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -57.59 -60.69 3.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.601 -1.312 . . . . 0.0 107.97 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 m -66.87 -24.74 66.16 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.433 -0.792 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.555 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 19.9 m -48.55 -56.02 9.49 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.833 -1.167 . . . . 0.0 108.38 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.409 HG21 ' N ' ' A' ' 104' ' ' LYS . 1.3 mp -57.93 -56.54 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -50.7 73.01 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.601 -1.312 . . . . 0.0 110.906 -179.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.88 -31.58 71.04 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.936 -1.103 . . . . 0.0 109.595 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.504 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.0 m-30 -72.04 -3.74 24.7 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.5 t30 88.46 65.32 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 -176.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.455 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.4 OUTLIER 46.82 58.28 4.86 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -176.096 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.409 ' N ' HG21 ' A' ' 98' ' ' ILE . 35.9 tptt 58.19 -77.81 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 114.55 -1.205 . . . . 0.0 109.416 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -143.84 9.32 1.52 Allowed 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.221 -1.549 . . . . 0.0 108.891 178.104 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 179.796 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.188 0.518 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 4' ' ' GLU . 6.5 m-20 -74.69 -170.49 1.06 Allowed 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' ASP . 34.6 mt -45.17 -20.8 0.05 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.339 -0.851 . . . . 0.0 109.128 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 2' ' ' ASP . 15.0 pt-20 -63.57 -26.42 68.69 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.407 -0.808 . . . . 0.0 109.004 178.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 12.3 p-10 -75.85 -30.25 58.87 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.03 -1.044 . . . . 0.0 110.283 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.488 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -56.68 -43.0 80.02 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 178.584 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -56.82 -40.26 75.69 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -57.99 -43.72 86.75 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.528 -0.732 . . . . 0.0 109.246 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -55.4 -53.68 53.15 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.944 -1.098 . . . . 0.0 108.171 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -64.98 -26.88 68.48 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.556 0.693 . . . . 0.0 109.37 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.24 -63.42 1.31 Allowed 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.487 -1.383 . . . . 0.0 110.1 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.23 -23.29 14.13 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -65.65 -57.59 7.74 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 117.539 -1.664 . . . . 0.0 107.934 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.01 -34.32 65.7 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.835 0.826 . . . . 0.0 108.841 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -57.13 -52.57 64.79 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.647 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.9 t -67.7 -50.27 62.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 120.655 -1.278 . . . . 0.0 111.523 -178.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -51.06 -51.33 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 119.744 -1.848 . . . . 0.0 108.135 -179.33 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -56.12 -26.89 51.82 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -127.61 33.32 4.84 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.483 -0.761 . . . . 0.0 109.967 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.647 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -65.21 -27.16 68.48 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.168 -0.958 . . . . 0.0 110.809 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 70.94 -34.51 0.3 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.528 -0.732 . . . . 0.0 109.204 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.696 HD21 HE22 ' A' ' 25' ' ' GLN . 4.0 m-80 -152.48 150.77 29.97 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.421 -0.8 . . . . 0.0 109.169 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.02 -12.34 0.22 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.274 -0.891 . . . . 0.0 109.406 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.453 ' H ' ' C ' ' A' ' 22' ' ' ASN . . . -67.97 -56.9 7.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.119 -0.988 . . . . 0.0 109.976 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.696 HE22 HD21 ' A' ' 22' ' ' ASN . 2.3 mt-30 -66.24 -12.57 57.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.056 -1.027 . . . . 0.0 110.176 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.5 t -72.07 -51.79 28.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HG2' ' ND2' ' A' ' 80' ' ' ASN . 32.4 mtpt -52.77 -35.44 56.49 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.238 1.018 . . . . 0.0 108.716 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.86 -61.0 2.91 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.466 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.97 -55.92 25.44 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.397 -0.815 . . . . 0.0 111.659 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.73 -31.97 59.03 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.002 -1.061 . . . . 0.0 110.18 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 m -65.9 -32.59 74.17 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.821 -1.174 . . . . 0.0 109.167 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -73.13 -35.67 66.56 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.654 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.4 mtt -58.36 -39.83 80.6 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.45 HH22 HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -51.9 -47.67 64.49 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.622 -1.299 . . . . 0.0 107.854 178.671 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -54.29 15.22 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.037 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.9 -18.12 64.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.464 -0.772 . . . . 0.0 109.521 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -67.82 -72.66 0.16 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.274 -0.891 . . . . 0.0 110.721 -178.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.19 -25.0 67.52 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 118.69 -1.204 . . . . 0.0 110.036 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.71 -37.9 88.33 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.09 -30.99 69.61 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -50.45 -40.38 50.45 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 178.126 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -91.47 8.69 35.2 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.596 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.52 92.28 0.62 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.04 -1.038 . . . . 0.0 108.555 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.417 ' C ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -132.34 153.66 81.31 Favored Pre-proline 0 N--CA 1.497 1.917 0 O-C-N 121.259 -0.901 . . . . 0.0 108.637 -178.892 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -33.71 -40.6 0.17 Allowed 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 122.494 2.129 . . . . 0.0 114.205 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.541 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.9 Cg_endo -97.94 7.48 1.2 Allowed 'Trans proline' 0 C--N 1.315 -1.207 0 C-N-CA 122.747 2.298 . . . . 0.0 111.317 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.667 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 41.94 20.73 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -178.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' A' ' 46' ' ' PRO . 1.6 tm? 39.08 -83.14 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 -178.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.667 ' N ' ' O ' ' A' ' 47' ' ' LYS . 25.7 mp0 -67.03 93.01 0.26 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.61 -1.306 . . . . 0.0 107.793 177.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -93.07 -7.17 46.39 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.293 -0.879 . . . . 0.0 108.644 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.696 ' CG ' ' H ' ' A' ' 52' ' ' SER . 4.7 pttp -167.84 -71.64 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.696 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 3.3 m -176.89 67.83 0.23 Allowed Pre-proline 0 C--N 1.304 -1.374 0 O-C-N 121.425 -0.797 . . . . 0.0 108.999 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.86 -71.84 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.683 2.255 . . . . 0.0 111.659 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.521 ' O ' ' CB ' ' A' ' 55' ' ' SER . 4.2 m-20 -140.87 -64.91 0.45 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 24.5 p 110.84 -43.52 0.0 OUTLIER Pre-proline 0 N--CA 1.506 2.371 0 C-N-CA 123.845 0.858 . . . . 0.0 110.477 179.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.408 ' HD3' ' OG ' ' A' ' 55' ' ' SER . 23.7 Cg_exo -64.56 -34.28 53.07 Favored 'Trans proline' 0 N--CA 1.492 1.397 0 CA-C-N 120.944 1.373 . . . . 0.0 109.477 176.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.61 ' O ' ' N ' ' A' ' 60' ' ' ASP . 42.7 tp10 -60.74 -71.45 0.14 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.528 ' C ' ' O ' ' A' ' 57' ' ' GLU . 16.2 ttp 13.21 -82.48 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.346 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 178.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 62' ' ' ARG . 11.6 tptt -50.44 -41.0 52.0 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.751 -1.218 . . . . 0.0 108.795 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' GLU . 1.3 m-20 -54.96 -34.65 63.47 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.512 ' N ' ' O ' ' A' ' 58' ' ' MET . 18.8 t80 -55.94 -36.16 67.45 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 176.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.635 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -51.83 -34.41 40.31 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 175.683 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.517 ' N ' ' O ' ' A' ' 60' ' ' ASP . 45.7 t60 -53.45 -34.54 58.28 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -68.98 -50.82 32.17 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 108.786 -1.726 . . . . 0.0 108.786 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -72.42 -46.85 53.23 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.511 -0.993 . . . . 0.0 108.879 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.635 ' N ' ' O ' ' A' ' 62' ' ' ARG . 32.8 t70 -46.5 -44.84 18.02 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.625 -0.672 . . . . 0.0 109.194 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.67 -65.96 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.367 -0.833 . . . . 0.0 109.456 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.419 ' CD1' ' C ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -56.4 -40.52 74.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.115 -0.991 . . . . 0.0 109.157 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.45 HG13 HH22 ' A' ' 34' ' ' ARG . 70.2 t -68.01 -21.36 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.966 -1.084 . . . . 0.0 110.0 178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.16 -50.58 12.12 Favored Glycine 0 N--CA 1.5 2.919 0 O-C-N 121.056 -1.027 . . . . 0.0 112.183 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.513 ' NE2' ' C ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -71.63 -28.84 64.06 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.577 -1.543 . . . . 0.0 110.006 -178.525 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -58.74 -55.34 23.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.18 -0.95 . . . . 0.0 109.064 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.4 p30 -60.54 -37.5 81.43 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 26.2 t70 -60.05 -19.86 55.03 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 117.891 -1.524 . . . . 0.0 108.042 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.81 69.52 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 73' ' ' ASP . 4.2 tt -58.88 -41.53 87.32 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 177.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -61.9 -46.07 90.97 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 122.081 0.943 . . . . 0.0 109.435 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.5 mp -63.19 -52.04 63.94 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 121.711 -0.618 . . . . 0.0 109.575 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.69 -37.86 13.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.134 -0.979 . . . . 0.0 109.41 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.408 HD22 HD23 ' A' ' 76' ' ' LEU . 2.3 m120 -64.36 -26.22 68.38 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 78' ' ' LEU . 21.0 tp10 -85.44 6.06 28.41 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.99 37.23 9.38 Favored Glycine 0 N--CA 1.496 2.698 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.08 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -97.24 64.15 1.89 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.942 -1.328 . . . . 0.0 109.25 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.39 -53.29 50.86 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.016 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.581 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.79 -50.57 23.46 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.086 -1.009 . . . . 0.0 109.872 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.59 -45.84 81.17 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.71 98.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.058 -1.027 . . . . 0.0 108.739 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -63.88 -40.38 96.4 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.94 93.5 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.48 -23.56 66.98 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.07 -51.55 66.22 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.967 -1.083 . . . . 0.0 108.395 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -61.16 -13.13 15.57 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.179 -0.95 . . . . 0.0 110.564 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.618 ' C ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -78.42 -33.2 48.76 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 120.418 -1.426 . . . . 0.0 107.908 179.259 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 52.6 tp -67.66 -41.53 83.61 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.278 -0.889 . . . . 0.0 108.927 177.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -56.81 -68.65 0.2 Allowed 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.032 0.92 . . . . 0.0 109.658 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.429 ' H ' ' HG1' ' A' ' 96' ' ' THR . 1.6 m -63.49 -23.25 67.32 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.157 -0.965 . . . . 0.0 110.579 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.592 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.4 m -51.41 -65.27 0.58 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.449 -1.407 . . . . 0.0 108.449 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 104' ' ' LYS . 1.9 mp -49.32 -50.09 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.099 -1.0 . . . . 0.0 109.675 179.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -61.47 -50.58 72.18 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.573 -1.329 . . . . 0.0 110.805 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.62 -30.46 71.37 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.78 -1.2 . . . . 0.0 110.186 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.8 m-30 -71.57 -7.13 45.77 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.2 t30 92.38 65.98 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 104.924 -2.25 . . . . 0.0 104.924 -176.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.484 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.2 OUTLIER 45.75 53.02 9.14 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -176.431 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.429 ' N ' HG23 ' A' ' 98' ' ' ILE . 32.9 tptt 62.19 -86.61 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 113.867 -1.515 . . . . 0.0 109.566 -179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.55 15.59 1.44 Allowed 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.415 -1.428 . . . . 0.0 108.942 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.395 0 CA-C-O 118.049 -1.417 . . . . 0.0 109.687 -179.409 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.396 0.617 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.51 166.73 20.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.253 -0.904 . . . . 0.0 109.244 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.8 mt -49.77 -19.06 0.57 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.238 -0.914 . . . . 0.0 109.909 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -60.99 -15.35 30.67 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.207 -0.933 . . . . 0.0 110.526 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 8' ' ' GLU . 33.5 p-10 -76.21 -51.58 11.79 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.89 -1.131 . . . . 0.0 110.97 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.61 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -48.55 -39.19 22.63 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 179.495 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.61 ' N ' HD21 ' A' ' 6' ' ' ASN . 3.5 m95 -59.29 -37.34 77.45 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 5' ' ' ASP . 49.4 tt0 -60.15 -49.26 78.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.432 -0.793 . . . . 0.0 108.984 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.6 m -53.51 -49.7 66.98 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.76 -30.52 71.61 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' TRP . 3.4 t-20 -61.97 -66.8 0.48 Allowed 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.537 -1.352 . . . . 0.0 110.025 -178.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -51.28 -20.79 1.8 Allowed 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -68.96 -62.3 1.44 Allowed 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 118.092 -1.443 . . . . 0.0 108.38 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.6 mm? -55.84 -33.16 64.25 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.055 -1.028 . . . . 0.0 108.734 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -55.89 -51.58 67.09 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.733 -0.604 . . . . 0.0 110.664 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.638 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.6 t -65.36 -54.83 24.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.779 -1.201 . . . . 0.0 110.915 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -48.97 -49.82 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 120.195 -1.566 . . . . 0.0 108.571 -178.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.87 -23.86 54.97 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 16' ' ' VAL . 9.5 mtpp -129.53 33.47 4.48 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.466 -0.771 . . . . 0.0 110.391 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.69 -26.38 68.35 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.141 -0.974 . . . . 0.0 110.706 -178.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 69.29 -33.26 0.24 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.502 -0.749 . . . . 0.0 109.443 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.721 HD21 HE22 ' A' ' 25' ' ' GLN . 4.9 m-80 -152.38 151.96 31.47 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.366 -0.834 . . . . 0.0 109.48 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.87 -18.79 1.43 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.283 -0.886 . . . . 0.0 109.699 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.28 -54.78 24.01 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.977 -1.077 . . . . 0.0 110.733 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.721 HE22 HD21 ' A' ' 22' ' ' ASN . 1.6 mt-30 -65.11 -16.55 63.61 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.763 -1.211 . . . . 0.0 110.067 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.8 t -70.83 -49.91 47.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 120.823 -1.173 . . . . 0.0 107.892 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -56.37 -35.3 67.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.346 -0.846 . . . . 0.0 109.53 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.66 -62.42 1.67 Allowed 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.786 -0.571 . . . . 0.0 110.194 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.16 -47.9 65.2 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.511 -0.743 . . . . 0.0 111.335 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.7 mt -59.27 -31.03 68.72 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.759 -1.213 . . . . 0.0 110.034 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.9 m -68.27 -34.25 75.84 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.566 -1.334 . . . . 0.0 108.441 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mmtt -69.83 -36.31 75.49 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.665 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.8 mtt -55.44 -49.84 71.38 Favored 'General case' 0 C--O 1.202 -1.446 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.509 HH11 ' CG ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -41.2 -48.04 3.42 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.901 0.858 . . . . 0.0 108.925 179.117 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.26 -53.75 33.12 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.772 -0.771 . . . . 0.0 108.974 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.48 -19.1 65.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.458 -0.776 . . . . 0.0 110.291 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.665 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -64.05 -69.13 0.3 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.134 -0.978 . . . . 0.0 110.591 -178.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 4.8 mt -65.01 -24.06 67.4 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 118.827 -1.149 . . . . 0.0 110.027 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -60.66 -39.83 89.84 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.47 -27.51 69.18 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.449 ' C ' ' NE2' ' A' ' 41' ' ' GLN . 0.6 OUTLIER -47.39 -37.45 11.37 Favored 'General case' 0 N--CA 1.503 2.215 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.749 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -90.62 -75.96 0.45 Allowed 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.756 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.82 102.35 10.76 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.16 -0.963 . . . . 0.0 109.559 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -134.88 154.39 79.26 Favored Pre-proline 0 N--CA 1.497 1.907 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.439 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 19.6 Cg_exo -31.1 -41.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.315 -1.2 0 C-N-CA 122.703 2.269 . . . . 0.0 114.869 -178.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.551 ' C ' ' H ' ' A' ' 48' ' ' LEU . 39.5 Cg_endo -100.86 -3.98 0.46 Allowed 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 122.94 2.427 . . . . 0.0 111.504 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.572 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 61.96 -8.19 0.1 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.512 -0.742 . . . . 0.0 110.513 179.15 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.551 ' H ' ' C ' ' A' ' 46' ' ' PRO . 2.6 tm? 63.76 -66.87 0.11 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -177.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 47' ' ' LYS . 34.2 mt-10 -82.79 88.95 6.75 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.151 -0.968 . . . . 0.0 108.596 177.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -94.27 -6.52 44.32 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.691 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -166.34 -82.68 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.749 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.691 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 14.2 m -171.46 70.0 0.48 Allowed Pre-proline 0 C--N 1.306 -1.298 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 178.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.87 -70.54 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 123.001 2.467 . . . . 0.0 111.934 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.533 ' O ' ' CB ' ' A' ' 55' ' ' SER . 12.1 t0 -132.72 -60.52 0.87 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 53.8 p 115.12 -47.46 0.0 OUTLIER Pre-proline 0 N--CA 1.504 2.229 0 C-N-CA 124.107 0.963 . . . . 0.0 109.767 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.476 ' HD3' ' OG ' ' A' ' 55' ' ' SER . 2.6 Cg_endo -84.31 -25.25 2.2 Favored 'Trans proline' 0 N--CA 1.484 0.97 0 CA-C-N 121.374 1.526 . . . . 0.0 108.699 176.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -66.23 -5.44 10.35 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.554 0.692 . . . . 0.0 109.161 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 61' ' ' PHE . 9.6 ttt -65.8 -66.54 0.53 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 0.0 110.239 -178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -50.85 -32.42 20.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.582 -1.324 . . . . 0.0 108.671 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -56.82 -35.43 68.78 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.317 -1.489 . . . . 0.0 107.037 178.394 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' A' ' 64' ' ' GLY . 8.8 t80 -54.97 -42.79 72.84 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 66' ' ' ASP . 9.3 tmm_? -52.37 -30.65 29.89 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.794 -1.188 . . . . 0.0 107.794 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -57.15 -33.9 67.88 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -70.86 -52.48 14.57 Favored Glycine 0 N--CA 1.497 2.713 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.39 -37.61 83.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.181 -1.188 . . . . 0.0 108.144 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 62' ' ' ARG . 24.9 t70 -50.58 -43.57 56.54 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.32 -66.22 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.404 -0.81 . . . . 0.0 109.988 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 pp -54.31 -35.49 62.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.259 -0.901 . . . . 0.0 109.68 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.0 t -67.28 -21.82 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 120.496 -1.377 . . . . 0.0 109.47 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.74 -49.96 21.45 Favored Glycine 0 N--CA 1.495 2.626 0 O-C-N 121.222 -0.924 . . . . 0.0 111.123 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -19.41 64.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.636 -1.508 . . . . 0.0 109.63 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.0 mt -61.04 -62.7 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -61.22 -32.93 72.7 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.572 -0.705 . . . . 0.0 110.41 -179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -60.78 -23.85 65.32 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 117.494 -1.682 . . . . 0.0 108.802 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.15 -35.49 74.07 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.45 HD22 HD22 ' A' ' 80' ' ' ASN . 4.5 tt -57.3 -40.37 77.69 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 177.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -62.88 -45.96 90.09 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 122.298 1.047 . . . . 0.0 109.754 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.593 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.9 mp -63.26 -58.35 7.44 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.604 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.82 -34.7 1.66 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.312 -0.868 . . . . 0.0 110.108 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.45 HD22 HD22 ' A' ' 76' ' ' LEU . 2.5 m120 -65.99 -27.62 68.27 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.776 -1.203 . . . . 0.0 107.918 178.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 78' ' ' LEU . 61.9 tt0 -86.02 3.74 40.96 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.48 39.69 6.24 Favored Glycine 0 N--CA 1.497 2.739 0 O-C-N 121.192 -0.942 . . . . 0.0 111.53 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -98.81 61.88 1.32 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.907 -1.349 . . . . 0.0 109.365 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.7 t -59.75 -48.74 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.597 -0.689 . . . . 0.0 110.377 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.436 ' HZ1' ' CB ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -74.11 -50.73 18.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.079 -1.013 . . . . 0.0 110.098 -179.004 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.3 -42.32 98.46 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.593 -0.692 . . . . 0.0 109.719 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.04 -46.0 92.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.03 -1.044 . . . . 0.0 109.239 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -63.36 -39.56 94.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.106 -0.996 . . . . 0.0 108.358 179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.08 94.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.133 -0.979 . . . . 0.0 108.405 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.54 -23.73 66.15 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.22 -49.31 72.47 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.15 -13.09 32.91 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -0.852 . . . . 0.0 109.101 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.589 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.52 -41.35 60.78 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 178.762 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.443 ' N ' ' HG3' ' A' ' 93' ' ' GLN . 0.2 OUTLIER -70.68 -38.8 73.76 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.059 -179.647 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -53.73 -66.47 0.39 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.72 -1.238 . . . . 0.0 108.688 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 m -67.99 -17.64 64.49 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.304 -0.873 . . . . 0.0 110.731 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.589 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 14.8 m -50.11 -58.98 4.38 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.439 -1.413 . . . . 0.0 107.462 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 104' ' ' LYS . 2.1 mp -58.44 -50.06 80.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.85 -0.531 . . . . 0.0 109.753 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -50.92 71.93 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.305 -1.497 . . . . 0.0 111.029 -178.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.442 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -62.47 -34.09 76.13 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.992 -1.067 . . . . 0.0 110.573 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.531 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.3 m-30 -69.22 0.91 4.2 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.4 t30 88.77 59.31 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 104.984 -2.228 . . . . 0.0 104.984 -177.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.52 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.1 OUTLIER 48.3 56.32 7.59 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 -175.736 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.407 ' N ' HG22 ' A' ' 98' ' ' ILE . 22.2 tptt 63.89 -72.06 0.06 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 113.469 -1.696 . . . . 0.0 109.924 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.461 ' O ' ' OXT' ' A' ' 106' ' ' GLY . 0.2 OUTLIER -145.31 -28.41 0.45 Allowed 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.006 -1.684 . . . . 0.0 110.085 178.72 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.461 ' OXT' ' O ' ' A' ' 105' ' ' TYR . . . . . . . . 0 N--CA 1.494 2.551 0 CA-C-O 117.709 -1.606 . . . . 0.0 110.747 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.327 0.584 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' ' 5' ' ' ASP . 44.6 m-20 -80.17 175.66 10.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.285 -0.884 . . . . 0.0 110.25 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.8 -29.96 3.6 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.557 -0.715 . . . . 0.0 109.865 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -59.04 -7.82 1.24 Allowed 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.002 -1.061 . . . . 0.0 109.664 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 8' ' ' GLU . 34.8 p-10 -77.32 -53.24 7.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.998 -1.064 . . . . 0.0 110.668 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.574 HD21 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -48.62 -36.8 16.58 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.574 ' N ' HD21 ' A' ' 6' ' ' ASN . 2.6 m95 -59.49 -39.9 85.26 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 5' ' ' ASP . 26.9 tt0 -58.81 -47.29 85.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.58 -0.7 . . . . 0.0 109.335 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 m -54.4 -55.5 28.01 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.798 -1.189 . . . . 0.0 108.115 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp -65.22 -25.0 67.5 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.729 -0.607 . . . . 0.0 109.508 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 7' ' ' TRP . 1.1 t-20 -60.57 -66.22 0.56 Allowed 'General case' 0 C--N 1.293 -1.859 0 O-C-N 120.628 -1.295 . . . . 0.0 110.436 -178.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.1 -19.87 5.66 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.866 -0.521 . . . . 0.0 109.731 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -65.72 -53.5 39.95 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 117.545 -1.662 . . . . 0.0 108.493 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.483 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.0 mm? -59.96 -32.85 71.21 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.939 -1.101 . . . . 0.0 108.851 178.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -57.75 -50.73 72.24 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.806 -0.559 . . . . 0.0 110.958 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.632 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.4 t -65.29 -53.47 40.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 O-C-N 120.419 -1.426 . . . . 0.0 110.477 -178.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -50.72 -47.59 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 120.132 -1.605 . . . . 0.0 107.858 -179.399 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.44 -31.99 64.49 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' VAL . 8.9 mtpp -127.28 42.07 3.39 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.632 -0.668 . . . . 0.0 109.609 -178.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.632 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.38 -30.23 71.27 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.267 -0.896 . . . . 0.0 110.589 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 71.28 -34.32 0.3 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.486 -0.759 . . . . 0.0 109.179 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.761 HD21 HE22 ' A' ' 25' ' ' GLN . 11.2 m-80 -153.26 150.08 28.59 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.277 -0.889 . . . . 0.0 109.694 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.6 -20.6 3.13 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.303 -0.873 . . . . 0.0 109.822 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.25 -51.92 52.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.099 -1.001 . . . . 0.0 110.37 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.761 HE22 HD21 ' A' ' 22' ' ' ASN . 1.9 mt-30 -65.98 -15.45 63.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.939 -1.101 . . . . 0.0 110.455 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.6 t -70.22 -53.53 22.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' CE ' ' ND2' ' A' ' 80' ' ' ASN . 4.0 mtpm? -52.14 -35.24 47.89 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.901 0.858 . . . . 0.0 109.097 179.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.66 -62.13 2.1 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.58 -49.72 69.72 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.539 -0.725 . . . . 0.0 110.911 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.19 -32.19 68.01 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.866 -1.146 . . . . 0.0 109.89 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 m -67.25 -34.14 76.81 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.952 -1.093 . . . . 0.0 108.938 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.2 mmtt -71.62 -37.97 70.83 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 178.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.703 ' O ' ' N ' ' A' ' 37' ' ' ALA . 5.1 mtt -55.66 -42.81 75.6 Favored 'General case' 0 C--O 1.199 -1.601 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 178.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.497 HH21 ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.63 -51.06 22.72 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.852 -1.155 . . . . 0.0 108.228 178.74 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.72 -53.73 17.1 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.549 0.69 . . . . 0.0 109.335 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.46 -21.31 66.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.422 -0.799 . . . . 0.0 109.819 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.703 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -65.06 -70.03 0.26 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.251 -0.905 . . . . 0.0 110.364 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' GLN . 6.4 mt -63.04 -25.02 68.19 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 118.961 -1.096 . . . . 0.0 108.923 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.77 -36.17 76.12 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 105.148 -2.167 . . . . 0.0 105.148 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.455 ' O ' ' CG2' ' A' ' 44' ' ' THR . . . -63.12 -28.42 70.05 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 176.355 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -50.31 -24.5 2.99 Favored 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 177.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.427 ' N ' ' C ' ' A' ' 40' ' ' ALA . 1.3 mtpt -114.86 139.35 49.84 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 63.3 97.5 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.966 -1.083 . . . . 0.0 109.981 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 40' ' ' ALA . 15.7 p -140.39 157.56 68.21 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.318 -0.864 . . . . 0.0 109.341 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.409 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 43.5 Cg_exo -36.05 -40.76 0.45 Allowed 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.943 1.762 . . . . 0.0 113.03 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' O ' ' N ' ' A' ' 48' ' ' LEU . 19.2 Cg_endo -100.1 8.4 0.71 Allowed 'Trans proline' 0 C--N 1.319 -1.003 0 C-N-CA 123.076 2.517 . . . . 0.0 111.447 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.707 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 41.75 19.99 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.963 -0.461 . . . . 0.0 109.767 -179.57 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 50' ' ' ASP . 2.3 tm? 37.73 -79.44 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.397 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -178.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.707 ' N ' ' O ' ' A' ' 47' ' ' LYS . 29.6 mp0 -60.1 81.02 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.121 -0.987 . . . . 0.0 108.655 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 48' ' ' LEU . 52.0 t0 -99.2 79.74 2.36 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.536 ' O ' ' CB ' ' A' ' 52' ' ' SER . 12.5 pttt 105.25 -10.06 0.02 OUTLIER 'General case' 0 N--CA 1.521 3.092 0 C-N-CA 123.999 0.919 . . . . 0.0 110.047 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 51' ' ' LYS . 1.4 t 90.71 70.46 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.682 0 CA-C-O 121.391 0.615 . . . . 0.0 109.506 -178.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.91 -74.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 123.133 2.555 . . . . 0.0 111.777 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.535 ' O ' ' CB ' ' A' ' 55' ' ' SER . 13.7 m-20 -133.36 -56.89 0.9 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 55.5 p 113.44 -42.94 0.0 OUTLIER Pre-proline 0 N--CA 1.508 2.458 0 C-N-CA 123.795 0.838 . . . . 0.0 111.558 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.505 ' C ' ' H ' ' A' ' 58' ' ' MET . 7.0 Cg_exo -73.72 -44.96 0.43 Allowed 'Trans proline' 0 N--CA 1.489 1.262 0 CA-C-N 121.485 1.566 . . . . 0.0 109.485 177.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -0.93 0.44 Allowed 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.505 ' H ' ' C ' ' A' ' 56' ' ' PRO . 21.2 ttp -63.72 -54.1 40.71 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.993 -1.067 . . . . 0.0 108.76 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -54.54 -31.29 56.18 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.485 -1.385 . . . . 0.0 107.886 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -55.15 -34.4 63.75 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 58' ' ' MET . 20.2 t80 -57.77 -46.66 84.26 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 66' ' ' ASP . 3.2 tmt_? -51.75 -35.11 42.2 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 177.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -54.17 -40.75 67.79 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.116 -0.99 . . . . 0.0 108.466 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.58 -47.16 80.22 Favored Glycine 0 N--CA 1.497 2.728 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -68.75 -35.5 77.17 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 62' ' ' ARG . 22.8 t70 -51.28 -47.61 62.47 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -177.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mt -64.17 -63.05 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.189 -0.944 . . . . 0.0 109.893 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.34 -39.0 63.76 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.248 -0.907 . . . . 0.0 109.336 -178.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.497 ' CG1' HH21 ' A' ' 34' ' ' ARG . 34.1 t -68.23 -22.11 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.755 -1.215 . . . . 0.0 109.932 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.0 -52.64 13.2 Favored Glycine 0 N--CA 1.498 2.796 0 O-C-N 121.006 -1.058 . . . . 0.0 111.745 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.67 -20.66 66.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.764 -1.433 . . . . 0.0 109.559 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 19.1 mt -60.16 -63.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 76' ' ' LEU . 2.2 p30 -59.88 -34.88 73.76 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.478 -0.764 . . . . 0.0 110.099 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 74' ' ' ASP . 31.5 t0 -60.17 -20.42 58.45 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 119.906 -1.746 . . . . 0.0 107.931 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.29 -34.86 68.48 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 176.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.485 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.0 tt -57.48 -39.25 75.99 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -63.2 -46.2 88.17 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.248 1.023 . . . . 0.0 109.711 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.7 mp -65.4 -55.43 18.14 Favored 'General case' 0 C--N 1.29 -1.993 0 O-C-N 121.779 -0.576 . . . . 0.0 109.981 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.27 -37.73 4.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.052 -1.03 . . . . 0.0 110.005 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.0 OUTLIER -64.86 -27.93 69.2 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 178.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 78' ' ' LEU . 28.7 tt0 -85.09 6.1 26.93 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.85 41.06 7.34 Favored Glycine 0 N--CA 1.497 2.742 0 O-C-N 121.134 -0.979 . . . . 0.0 111.136 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 20.0 mmtp -100.11 54.53 0.91 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.965 -1.315 . . . . 0.0 109.8 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 t -59.29 -39.87 79.94 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 O-C-N 121.522 -0.736 . . . . 0.0 109.334 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -52.29 10.14 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.165 -0.96 . . . . 0.0 109.895 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.15 -41.21 99.23 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -60.26 -46.03 91.24 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 0.0 109.296 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.404 ' O ' ' CB ' ' A' ' 91' ' ' ALA . 24.8 mt-30 -64.2 -38.69 91.94 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.044 -1.035 . . . . 0.0 108.328 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.03 96.33 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.96 -22.88 64.88 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 88' ' ' GLN . . . -63.59 -47.52 81.14 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -63.0 -13.69 38.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.413 -0.805 . . . . 0.0 109.301 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.547 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -77.81 -43.22 31.18 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 179.374 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 60.1 tp -68.81 -41.32 78.82 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.375 -0.828 . . . . 0.0 109.607 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -56.24 -72.39 0.08 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.407 -0.808 . . . . 0.0 110.608 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -20.52 66.19 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.082 -1.011 . . . . 0.0 110.675 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.547 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.1 m -49.88 -58.87 4.54 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.583 -1.323 . . . . 0.0 107.696 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.411 HG21 ' N ' ' A' ' 104' ' ' LYS . 2.3 mp -56.5 -51.65 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 121.538 -0.726 . . . . 0.0 109.049 178.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -59.32 -51.12 71.28 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.627 -1.295 . . . . 0.0 110.699 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.24 -28.47 70.05 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.012 -1.055 . . . . 0.0 110.032 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.3 m-30 -71.59 -2.26 16.43 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.6 t30 89.56 61.03 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -177.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.523 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.2 OUTLIER 48.35 55.85 8.29 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 -176.051 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.411 ' N ' HG21 ' A' ' 98' ' ' ILE . 26.2 tptt 61.44 -83.73 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 113.609 -1.632 . . . . 0.0 108.941 -178.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.88 10.14 0.91 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.264 -1.523 . . . . 0.0 109.14 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.024 0 CA-C-O 117.882 -1.51 . . . . 0.0 109.773 -179.144 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.338 0.59 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -82.21 -153.25 0.11 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.371 -0.831 . . . . 0.0 109.745 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.08 91.73 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.345 -0.847 . . . . 0.0 108.859 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -174.29 -35.92 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -77.21 -28.51 53.85 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -41.49 87.88 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 105.72 -1.955 . . . . 0.0 105.72 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.4 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.2 m95 -59.88 -37.19 78.64 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.805 -1.088 . . . . 0.0 109.064 178.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -56.93 -44.78 82.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.36 -0.838 . . . . 0.0 109.62 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.465 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.0 m -54.72 -52.91 61.0 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 178.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.43 -26.84 68.14 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.65 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.4 OUTLIER -61.01 -66.3 0.56 Allowed 'General case' 0 C--N 1.29 -1.995 0 O-C-N 120.37 -1.456 . . . . 0.0 110.133 -178.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.04 -19.92 5.59 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.795 -0.566 . . . . 0.0 110.02 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 9' ' ' THR . 8.0 m-80 -65.28 -58.13 6.72 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 117.96 -1.496 . . . . 0.0 108.987 -178.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.489 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.3 mm? -58.58 -32.46 68.97 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.021 -1.049 . . . . 0.0 108.584 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -59.03 -47.12 86.37 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.809 -0.557 . . . . 0.0 109.878 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.611 ' O ' ' N ' ' A' ' 20' ' ' ALA . 21.8 t -68.33 -56.21 13.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 120.792 -1.193 . . . . 0.0 111.077 -178.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.414 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -50.36 -46.25 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.391 0 O-C-N 119.859 -1.776 . . . . 0.0 107.766 -179.587 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 5.6 mm-40 -56.16 -28.04 56.54 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 16' ' ' VAL . 12.1 mtpt -127.76 34.92 4.56 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.661 -0.65 . . . . 0.0 110.235 -178.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.611 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.1 -18.93 64.88 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.063 -1.023 . . . . 0.0 110.373 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 67.16 -36.15 0.27 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.594 -0.691 . . . . 0.0 109.857 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.721 HD21 HE22 ' A' ' 25' ' ' GLN . 15.5 m-80 -149.78 149.39 30.46 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.17 -0.956 . . . . 0.0 109.634 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.45 -17.92 2.32 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.422 -0.799 . . . . 0.0 110.005 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.91 -52.52 42.28 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.824 -1.172 . . . . 0.0 109.951 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.721 HE22 HD21 ' A' ' 22' ' ' ASN . 1.4 mt-30 -65.69 -18.18 65.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.996 -1.065 . . . . 0.0 110.068 -179.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 t -67.36 -47.63 80.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -55.12 -45.62 75.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.36 -0.837 . . . . 0.0 109.535 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -60.42 -64.43 0.95 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.221 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' ASP . . . -40.12 -53.75 2.39 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.146 0.498 . . . . 0.0 111.189 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.12 -36.61 77.86 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.964 -1.085 . . . . 0.0 109.792 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.7 m -63.92 -29.19 70.38 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.763 -1.211 . . . . 0.0 108.039 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -71.72 -40.21 69.61 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 177.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.688 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.0 mtm -57.99 -47.99 81.36 Favored 'General case' 0 C--O 1.2 -1.532 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -39.22 -50.0 1.91 Allowed 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.839 0.828 . . . . 0.0 108.902 179.089 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -51.46 58.65 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.24 -20.25 65.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.22 -0.925 . . . . 0.0 109.343 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.688 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.71 -71.18 0.21 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.461 -0.775 . . . . 0.0 110.479 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.19 -18.31 63.35 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 118.944 -1.102 . . . . 0.0 109.217 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -63.16 -41.53 99.27 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.86 -29.27 69.43 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -48.59 -36.73 16.26 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 106.957 -1.498 . . . . 0.0 106.957 178.216 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -84.58 -76.98 0.29 Allowed 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.28 103.24 14.69 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.042 -1.036 . . . . 0.0 109.808 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.21 152.72 78.75 Favored Pre-proline 0 N--CA 1.498 1.934 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -34.68 -42.26 0.31 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.498 2.132 . . . . 0.0 114.818 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -98.82 -4.97 0.76 Allowed 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 123.318 2.679 . . . . 0.0 113.336 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.58 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 51.5 34.8 12.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.85 -1.156 . . . . 0.0 108.582 -179.261 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 60.57 -70.61 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.58 ' N ' ' O ' ' A' ' 47' ' ' LYS . 8.2 mm-40 -122.6 -166.88 1.49 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -103.36 18.19 22.38 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.058 -1.026 . . . . 0.0 110.633 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.701 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -163.76 -94.62 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.46 -1.4 . . . . 0.0 110.965 -179.641 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.701 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 2.4 m -174.0 78.28 0.37 Allowed Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 120.965 -1.084 . . . . 0.0 109.051 -178.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -45.49 -76.69 0.03 OUTLIER 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 123.067 2.511 . . . . 0.0 112.639 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.55 ' O ' ' CB ' ' A' ' 55' ' ' SER . 1.5 m-20 -124.53 -48.91 1.79 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 52.2 p 112.53 -44.37 0.0 OUTLIER Pre-proline 0 N--CA 1.504 2.237 0 C-N-CA 123.858 0.863 . . . . 0.0 111.201 178.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -75.19 -30.22 7.12 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 CA-C-N 121.872 1.704 . . . . 0.0 109.586 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -72.46 -15.53 61.81 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.621 0.724 . . . . 0.0 109.126 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.6 ttt -63.97 -33.78 76.51 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 62' ' ' ARG . 0.5 OUTLIER -56.35 -37.25 69.77 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.138 -1.431 . . . . 0.0 107.138 178.056 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 63' ' ' HIS . 27.1 t0 -53.46 -42.65 67.39 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -53.53 -31.55 46.74 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 118.221 -1.391 . . . . 0.0 107.563 177.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 66' ' ' ASP . 3.4 ttm180 -55.18 -34.95 64.31 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 176.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 60' ' ' ASP . 73.3 t60 -49.77 -31.25 11.11 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.34 -54.39 11.01 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 108.773 -1.731 . . . . 0.0 108.773 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' ASP . 4.3 m-85 -70.07 -44.29 69.42 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.147 -1.208 . . . . 0.0 108.773 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 62' ' ' ARG . 10.5 t70 -42.17 -41.51 2.7 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.476 0.655 . . . . 0.0 109.277 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mm -67.36 -62.32 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 O-C-N 121.208 -0.932 . . . . 0.0 110.513 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.0 pp -57.33 -46.88 82.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.835 -1.166 . . . . 0.0 110.956 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 9.2 m -62.77 -18.58 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.126 -1.609 . . . . 0.0 109.76 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.43 -44.11 75.01 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.658 ' NE2' ' OE1' ' A' ' 93' ' ' GLN . 0.4 OUTLIER -71.69 -28.05 63.45 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.72 -1.459 . . . . 0.0 109.73 -179.855 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.43 -54.75 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.51 -35.92 73.0 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.56 -23.58 64.74 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 117.552 -1.659 . . . . 0.0 108.839 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.67 -32.59 68.03 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 177.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.481 HD22 HD22 ' A' ' 80' ' ' ASN . 4.4 tt -59.73 -37.9 80.19 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 177.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -64.7 -46.24 83.21 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 122.32 1.057 . . . . 0.0 110.02 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.636 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.4 mp -62.83 -61.02 2.69 Favored 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.787 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.96 -31.72 0.55 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.171 -0.956 . . . . 0.0 110.169 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.481 HD22 HD22 ' A' ' 76' ' ' LEU . 2.9 m120 -66.09 -29.34 69.65 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.636 ' N ' ' O ' ' A' ' 78' ' ' LEU . 27.1 tp10 -84.38 0.43 49.38 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.19 45.23 5.11 Favored Glycine 0 N--CA 1.498 2.786 0 O-C-N 120.947 -1.096 . . . . 0.0 111.614 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 17.9 mmtt -101.5 70.61 1.3 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.984 -1.303 . . . . 0.0 108.951 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.62 -55.39 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.423 -0.798 . . . . 0.0 111.234 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -48.92 41.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.822 -1.174 . . . . 0.0 109.999 -178.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.37 -44.03 95.99 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.469 -0.769 . . . . 0.0 109.938 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -63.6 -42.8 98.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.882 -1.136 . . . . 0.0 108.869 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.4 -41.41 93.69 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.42 83.5 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.14 -30.27 71.18 Favored 'General case' 0 C--O 1.205 -1.262 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.7 -38.94 92.42 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.83 -1.169 . . . . 0.0 108.355 178.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -69.81 -16.73 63.33 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.797 -1.19 . . . . 0.0 110.796 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.658 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -76.89 -30.3 56.13 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 179.157 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.559 ' CD2' ' SD ' ' A' ' 33' ' ' MET . 28.4 tp -68.33 -42.82 78.75 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.956 0.884 . . . . 0.0 108.916 177.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -55.41 -68.89 0.16 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.388 -0.82 . . . . 0.0 109.578 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -16.99 64.72 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.274 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.628 ' HG1' ' NE2' ' A' ' 93' ' ' GLN . 1.4 m -52.08 -58.51 6.34 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.154 -1.591 . . . . 0.0 107.634 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 104' ' ' LYS . 2.6 mp -58.21 -49.28 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.151 -0.968 . . . . 0.0 108.734 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -60.74 -49.14 78.7 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 120.668 -1.27 . . . . 0.0 110.778 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.478 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -64.94 -32.96 74.93 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.008 -1.058 . . . . 0.0 110.633 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.466 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.0 m-30 -68.1 -2.5 7.98 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.478 ' H ' ' C ' ' A' ' 100' ' ' ALA . 1.7 t30 89.16 68.25 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 104.476 -2.416 . . . . 0.0 104.476 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.53 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.0 OUTLIER 42.95 55.65 4.35 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -176.219 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 98' ' ' ILE . 4.3 tptp 62.15 -88.5 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 114.058 -1.428 . . . . 0.0 109.554 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.1 17.4 1.92 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.453 -1.405 . . . . 0.0 109.502 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.478 -179.491 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.455 0.645 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.533 ' CG ' ' H ' ' A' ' 3' ' ' LEU . 32.4 t0 -77.94 -156.61 0.09 Allowed 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.533 -0.729 . . . . 0.0 109.512 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.533 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -49.16 -24.38 1.67 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.318 -0.864 . . . . 0.0 108.905 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -60.32 -24.02 64.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.33 -0.856 . . . . 0.0 110.247 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 8' ' ' GLU . 26.1 t0 -77.41 -44.58 28.7 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.83 -1.169 . . . . 0.0 110.529 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -51.66 -38.35 54.51 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 179.169 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.7 m95 -60.27 -35.99 76.8 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 177.303 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 5' ' ' ASP . 31.9 tt0 -58.95 -49.92 76.01 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.431 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 6.1 m -53.44 -52.66 58.74 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.42 -26.6 68.58 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.441 0.639 . . . . 0.0 109.523 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.6 OUTLIER -64.42 -67.11 0.46 Allowed 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.693 -1.255 . . . . 0.0 109.947 -179.106 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -52.95 -17.69 1.56 Allowed 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.676 -179.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 9' ' ' THR . 7.2 m-80 -66.87 -58.69 4.51 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 117.819 -1.552 . . . . 0.0 108.18 -179.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.7 mm? -57.41 -35.6 70.26 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.066 -1.021 . . . . 0.0 108.888 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -52.8 -51.34 61.15 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.7 -0.625 . . . . 0.0 110.896 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.622 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.3 t -66.38 -53.49 35.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 O-C-N 120.695 -1.253 . . . . 0.0 110.95 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.29 -51.59 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.154 -1.591 . . . . 0.0 108.665 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -57.09 -20.33 24.73 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.108 -1.037 . . . . 0.0 108.282 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 16' ' ' VAL . 19.4 mtpt -129.56 31.44 4.78 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.428 -0.795 . . . . 0.0 110.359 -179.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.622 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -63.53 -25.2 68.14 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.912 -1.118 . . . . 0.0 110.682 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 69.5 -31.92 0.22 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.489 -0.757 . . . . 0.0 109.664 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.635 HD21 HE22 ' A' ' 25' ' ' GLN . 4.9 m-80 -152.74 152.15 31.34 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.069 -1.019 . . . . 0.0 109.79 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.12 -18.02 1.3 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.247 -0.908 . . . . 0.0 109.264 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -58.9 4.3 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.135 -0.978 . . . . 0.0 110.376 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.635 HE22 HD21 ' A' ' 22' ' ' ASN . 0.9 OUTLIER -66.6 -11.46 53.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.831 -1.168 . . . . 0.0 110.513 -178.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -69.96 -60.4 2.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 120.875 -1.14 . . . . 0.0 108.261 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -58.25 -29.0 65.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.398 -0.814 . . . . 0.0 110.126 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -61.37 -60.69 3.34 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.942 -1.099 . . . . 0.0 108.592 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.32 -42.87 61.51 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.491 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.57 -35.96 79.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.765 -1.209 . . . . 0.0 110.03 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.6 m -63.46 -29.58 70.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.702 -1.249 . . . . 0.0 108.158 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -73.43 -38.74 65.44 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.658 ' O ' ' N ' ' A' ' 37' ' ' ALA . 2.4 mtt -58.17 -42.05 85.2 Favored 'General case' 0 C--O 1.202 -1.421 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -46.46 31.56 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 178.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.67 -52.23 40.41 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.41 -20.76 66.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.43 -0.794 . . . . 0.0 109.69 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.658 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.6 -73.1 0.14 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.885 . . . . 0.0 110.797 -178.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 5.8 mt -63.53 -26.81 68.88 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.619 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.11 -39.13 85.13 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 43' ' ' ALA . . . -60.31 -31.73 70.54 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.431 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -45.98 -39.3 8.8 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -92.14 7.88 40.46 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.535 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -164.06 107.11 0.94 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.472 ' HG1' ' N ' ' A' ' 47' ' ' LYS . 72.3 p -133.66 153.58 80.22 Favored Pre-proline 0 N--CA 1.487 1.381 0 O-C-N 121.419 -0.801 . . . . 0.0 109.762 -177.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.443 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 54.6 Cg_exo -37.98 -42.13 1.37 Allowed 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.084 1.856 . . . . 0.0 112.65 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.556 ' O ' ' O ' ' A' ' 47' ' ' LYS . 38.3 Cg_endo -101.25 5.85 0.59 Allowed 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 123.294 2.663 . . . . 0.0 110.585 178.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.556 ' O ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 36.32 111.83 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.428 0.632 . . . . 0.0 111.26 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.647 ' CD1' ' H ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -54.97 174.81 0.07 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 105.634 -1.987 . . . . 0.0 105.634 177.452 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.681 ' C ' ' H ' ' A' ' 51' ' ' LYS . 32.6 mt-10 67.45 -72.12 0.09 Allowed 'General case' 0 C--N 1.292 -1.899 0 O-C-N 120.917 -1.114 . . . . 0.0 108.813 -178.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' LEU . 11.1 t70 60.58 -14.24 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.16 -0.962 . . . . 0.0 109.279 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.713 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -163.12 -87.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.451 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.713 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 4.2 m -174.46 68.58 0.3 Allowed Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 120.604 -1.31 . . . . 0.0 110.856 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.33 -73.31 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 122.584 2.189 . . . . 0.0 111.061 178.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' A' ' 55' ' ' SER . 7.5 m-20 -137.44 -54.55 0.68 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 60.3 p 114.39 -43.52 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.48 0 C-N-CA 123.889 0.876 . . . . 0.0 111.449 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.456 ' C ' ' H ' ' A' ' 58' ' ' MET . 5.1 Cg_exo -78.77 -42.9 0.18 Allowed 'Trans proline' 0 N--CA 1.491 1.35 0 CA-C-N 121.557 1.592 . . . . 0.0 110.098 177.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -54.33 -9.11 0.26 Allowed 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.411 0.624 . . . . 0.0 109.662 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.456 ' H ' ' C ' ' A' ' 56' ' ' PRO . 29.2 ttp -64.05 -45.56 88.28 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.069 -1.019 . . . . 0.0 108.677 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -53.37 -33.05 52.16 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 120.52 -1.362 . . . . 0.0 108.112 179.044 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 63' ' ' HIS . 8.4 t0 -54.05 -41.15 67.78 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -54.46 -32.65 58.09 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 177.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.577 ' O ' ' N ' ' A' ' 66' ' ' ASP . 20.7 ttp180 -55.41 -37.55 67.76 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 176.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 60' ' ' ASP . 30.5 t60 -51.14 -41.96 60.44 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.15 -44.27 77.16 Favored Glycine 0 N--CA 1.501 3.027 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -70.15 -37.87 75.35 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 62' ' ' ARG . 16.8 t70 -49.09 -40.78 33.25 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 mt -66.35 -64.97 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.293 -0.879 . . . . 0.0 109.3 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 pp -55.59 -41.32 73.24 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.657 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 66.0 t -67.06 -24.98 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 120.892 -1.13 . . . . 0.0 110.155 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.65 -45.18 36.82 Favored Glycine 0 N--CA 1.495 2.586 0 O-C-N 121.125 -0.984 . . . . 0.0 111.396 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.556 ' NE2' ' OE1' ' A' ' 93' ' ' GLN . 1.6 pt20 -70.6 -28.48 64.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.762 -1.434 . . . . 0.0 110.539 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.3 -55.46 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 76' ' ' LEU . 23.9 t0 -58.08 -40.1 80.2 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.492 -0.755 . . . . 0.0 109.002 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.93 -20.56 24.17 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 117.473 -1.691 . . . . 0.0 108.408 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.01 -35.23 69.38 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.545 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 7.1 tt -58.27 -39.5 79.39 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -63.73 -45.5 89.6 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 122.337 1.065 . . . . 0.0 109.865 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.548 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.1 mp -62.88 -57.86 9.37 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.495 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.72 -37.82 9.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.177 -0.952 . . . . 0.0 109.797 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 2.3 m120 -59.96 -27.65 66.99 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 78' ' ' LEU . 71.7 tt0 -86.65 3.39 44.81 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.3 37.94 7.99 Favored Glycine 0 N--CA 1.495 2.611 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.385 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.0 mmpt? -95.66 65.84 2.67 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.817 -1.402 . . . . 0.0 109.615 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.57 -44.27 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.261 -0.9 . . . . 0.0 110.497 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.19 -54.07 9.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.224 -0.922 . . . . 0.0 110.177 -179.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -42.07 91.74 Favored 'General case' 0 C--N 1.29 -1.998 0 O-C-N 121.764 -0.585 . . . . 0.0 109.637 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.34 92.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.004 -1.06 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -65.13 -47.01 78.62 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.232 -0.917 . . . . 0.0 108.751 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.19 97.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.093 -1.004 . . . . 0.0 108.489 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.02 -25.69 67.08 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.72 99.54 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -65.62 -12.66 55.22 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.57 -0.706 . . . . 0.0 109.76 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.654 ' C ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -78.23 -33.02 50.09 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 178.626 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.491 ' CD2' ' SD ' ' A' ' 33' ' ' MET . 21.5 tp -67.42 -47.34 70.52 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -54.6 -67.7 0.25 Allowed 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 121.705 0.764 . . . . 0.0 110.029 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.4 m -62.83 -29.25 70.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.24 -0.912 . . . . 0.0 110.56 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.654 ' HG1' HE22 ' A' ' 93' ' ' GLN . 1.3 m -49.95 -55.64 13.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.813 -1.179 . . . . 0.0 108.676 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.76 -56.05 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.356 -0.84 . . . . 0.0 109.072 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -56.04 -50.93 69.55 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.527 -1.358 . . . . 0.0 110.686 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -61.1 -30.36 70.31 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.844 -1.16 . . . . 0.0 109.279 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.573 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 3.3 m-30 -77.5 18.47 0.43 Allowed 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASN . . . . . 0.573 ' ND2' ' O ' ' A' ' 101' ' ' TYR . 1.6 m-80 74.52 58.85 0.07 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -178.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.529 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.1 OUTLIER 47.36 54.56 9.38 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 105.085 -2.191 . . . . 0.0 105.085 -175.662 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 101' ' ' TYR . 32.6 tptt 66.1 -70.72 0.1 Allowed 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 113.498 -1.683 . . . . 0.0 109.277 -177.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.17 27.59 0.68 Allowed 'General case' 0 C--N 1.292 -1.918 0 O-C-N 119.758 -1.839 . . . . 0.0 107.634 177.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 CA-C-O 118.016 -1.435 . . . . 0.0 109.6 -179.048 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 121.086 0.469 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 8' ' ' GLU . 13.7 t0 -75.13 -40.93 59.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.087 -1.008 . . . . 0.0 110.648 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -49.87 -40.6 43.16 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 179.143 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -60.25 -39.56 87.19 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 5' ' ' ASP . 35.7 tt0 -59.76 -49.4 77.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.599 -0.688 . . . . 0.0 109.409 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.4 m -51.79 -50.37 60.87 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -27.99 69.57 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.281 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.401 ' C ' ' N ' ' A' ' 13' ' ' ASN . 61.8 t30 -63.95 -67.78 0.4 Allowed 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.454 -1.404 . . . . 0.0 110.08 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.17 -19.76 0.85 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 11' ' ' ASN . 6.1 m-80 -68.65 -61.71 1.7 Allowed 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 117.987 -1.485 . . . . 0.0 108.27 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.533 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.2 mm? -53.57 -33.81 56.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.05 -1.031 . . . . 0.0 108.689 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -58.48 -51.13 71.16 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.579 -0.7 . . . . 0.0 110.691 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.654 ' O ' ' N ' ' A' ' 20' ' ' ALA . 38.4 t -67.54 -56.01 14.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.851 -1.156 . . . . 0.0 111.255 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -50.29 -44.32 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.417 0 O-C-N 120.043 -1.661 . . . . 0.0 107.472 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 4.7 mm-40 -59.63 -32.96 70.91 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.119 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' VAL . 13.7 mtpp -125.09 36.16 4.64 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.492 -0.755 . . . . 0.0 110.038 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.5 -19.12 65.39 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.291 -0.881 . . . . 0.0 110.14 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 19' ' ' LYS . 1.5 m-20 66.42 -32.95 0.18 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.517 -0.74 . . . . 0.0 109.604 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.575 ' H ' ' C ' ' A' ' 20' ' ' ALA . 5.0 m120 -152.97 152.13 31.08 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.171 -0.955 . . . . 0.0 109.438 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.8 -14.78 0.4 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.935 . . . . 0.0 109.759 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.99 -57.58 5.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.008 -1.058 . . . . 0.0 110.503 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -65.02 -13.52 58.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.838 -1.164 . . . . 0.0 110.067 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.529 HG23 ' CB ' ' A' ' 20' ' ' ALA . 18.7 t -70.81 -51.64 34.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -55.15 -37.45 66.98 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.844 0.831 . . . . 0.0 109.177 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.87 -62.8 1.59 Allowed 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.89 -49.83 48.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.659 -0.651 . . . . 0.0 110.812 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.3 mt -58.94 -35.69 73.53 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.029 -1.044 . . . . 0.0 110.048 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.3 m -64.15 -30.39 71.46 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.89 -1.131 . . . . 0.0 108.879 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 5.4 mmtt -73.78 -42.13 61.45 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.681 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -54.4 -39.0 66.86 Favored 'General case' 0 C--O 1.2 -1.525 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.574 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.427 HH21 ' HB3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -51.31 -48.71 62.27 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 177.733 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.58 -54.02 23.34 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -22.4 66.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.398 -0.814 . . . . 0.0 109.672 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.82 -73.93 0.12 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.247 -0.908 . . . . 0.0 110.891 -178.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 8.7 mt -62.63 -23.89 67.31 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.289 -0.964 . . . . 0.0 109.482 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.24 -39.64 91.05 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.94 -25.79 67.8 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -47.08 -40.94 16.2 Favored 'General case' 0 N--CA 1.505 2.31 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 178.297 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -111.84 25.62 11.44 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.353 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -166.13 68.02 0.11 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.975 -1.078 . . . . 0.0 108.644 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.2 t80 . . . . . 0 N--CA 1.485 1.31 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.618 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -54.81 -36.71 65.26 Favored 'General case' 0 C--O 1.2 -1.516 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 176.571 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -51.05 -43.58 60.96 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.66 -49.62 54.3 Favored Glycine 0 N--CA 1.5 2.916 0 N-CA-C 108.894 -1.682 . . . . 0.0 108.894 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.95 -33.33 75.58 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.618 ' N ' ' O ' ' A' ' 62' ' ' ARG . 9.9 t0 -56.08 -37.15 68.95 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.4 mt -65.43 -67.37 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.464 -0.772 . . . . 0.0 109.325 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 pp -54.55 -45.85 73.52 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.388 -0.82 . . . . 0.0 109.687 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.542 ' HA ' HD12 ' A' ' 72' ' ' ILE . 93.8 t -65.98 -18.84 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.784 -1.197 . . . . 0.0 110.269 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.86 -49.43 42.17 Favored Glycine 0 N--CA 1.493 2.436 0 C-N-CA 119.991 -1.1 . . . . 0.0 110.956 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.563 ' OE1' ' NE2' ' A' ' 93' ' ' GLN . 1.8 pt20 -72.0 -22.61 61.39 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.807 -1.408 . . . . 0.0 110.658 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.859 HD11 HD13 ' A' ' 94' ' ' LEU . 83.7 mt -61.22 -61.68 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.437 -1.414 . . . . 0.0 107.797 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -56.45 -32.77 65.24 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -62.3 -21.83 65.56 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.576 -1.649 . . . . 0.0 107.997 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.51 -34.38 70.04 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 176.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.91 -39.52 85.71 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -63.97 -46.55 84.15 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 122.502 1.144 . . . . 0.0 109.542 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.5 mp -63.92 -55.7 20.69 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.642 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.04 -37.08 6.27 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.128 -0.983 . . . . 0.0 109.713 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -64.49 -27.71 69.16 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.581 ' N ' ' O ' ' A' ' 78' ' ' LEU . 27.0 tt0 -86.05 4.74 36.68 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.58 40.17 6.46 Favored Glycine 0 N--CA 1.497 2.707 0 O-C-N 121.128 -0.983 . . . . 0.0 111.54 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -101.15 66.72 1.14 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.939 -1.33 . . . . 0.0 109.416 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.1 t -62.76 -58.49 7.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 O-C-N 121.645 -0.659 . . . . 0.0 110.598 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -47.21 59.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.219 -0.926 . . . . 0.0 109.78 -178.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.33 -47.01 87.01 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 121.76 -0.587 . . . . 0.0 109.87 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.36 90.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.933 -1.104 . . . . 0.0 108.688 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.64 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 25.1 mt-30 -64.86 -41.05 96.0 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.19 96.36 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.5 -21.72 62.74 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -65.09 -50.15 67.23 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.273 -0.892 . . . . 0.0 109.338 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.71 -12.82 18.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.097 -1.002 . . . . 0.0 109.101 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.563 ' NE2' ' OE1' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -74.93 -39.85 61.15 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 178.46 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.859 HD13 HD11 ' A' ' 72' ' ' ILE . 57.1 tp -67.13 -41.52 86.01 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.437 -0.789 . . . . 0.0 109.112 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -57.55 -63.11 1.35 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.101 -0.999 . . . . 0.0 109.199 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 m -65.41 -25.48 67.56 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.369 -0.832 . . . . 0.0 110.473 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.461 ' OG1' ' OE1' ' A' ' 93' ' ' GLN . 4.9 m -49.64 -58.42 5.3 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.694 -1.254 . . . . 0.0 108.302 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.3 mp -57.61 -55.74 19.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.66 -0.65 . . . . 0.0 109.914 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.547 ' HE ' ' C ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -57.99 -49.48 76.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.726 -1.234 . . . . 0.0 110.862 -179.056 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.48 -35.92 77.05 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.988 -1.07 . . . . 0.0 109.522 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.488 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.1 m-30 -69.57 -5.0 21.53 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.5 t30 90.62 66.34 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 -176.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 102' ' ' ASN . 6.6 mm-40 47.36 54.84 9.01 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -176.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 30.5 tptt 63.21 -95.03 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 113.897 -1.501 . . . . 0.0 108.744 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 104' ' ' LYS . 22.2 m-85 -145.71 20.6 1.48 Allowed 'General case' 0 N--CA 1.503 2.225 0 O-C-N 119.636 -1.915 . . . . 0.0 109.914 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.398 0 CA-C-O 118.067 -1.407 . . . . 0.0 109.657 179.556 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' GLU . 12.4 p-10 -76.65 -48.09 20.13 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.108 -0.995 . . . . 0.0 110.497 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -49.65 -39.58 36.64 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 179.109 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -59.19 -37.17 76.77 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.761 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ASP . 15.5 tm-20 -61.32 -43.09 99.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.392 -0.817 . . . . 0.0 109.128 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.433 HG22 ' HB2' ' A' ' 36' ' ' ALA . 2.7 m -55.64 -52.46 63.73 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.07 -28.58 69.88 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.44 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -59.02 -65.23 0.7 Allowed 'General case' 0 C--N 1.29 -1.984 0 O-C-N 120.81 -1.181 . . . . 0.0 110.523 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -52.53 -23.04 5.59 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.565 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.57 -56.93 10.81 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 117.548 -1.661 . . . . 0.0 108.537 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.0 mm? -58.57 -35.69 72.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.062 -1.024 . . . . 0.0 109.136 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -54.24 -51.3 64.93 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.705 -0.622 . . . . 0.0 110.633 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.615 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.6 t -68.48 -56.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 120.868 -1.145 . . . . 0.0 111.659 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -42.33 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.481 0 O-C-N 120.009 -1.682 . . . . 0.0 107.987 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 7.9 mm-40 -62.58 -26.14 68.44 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' A' ' 16' ' ' VAL . 14.7 mtpp -129.0 32.03 4.81 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.5 -0.75 . . . . 0.0 110.282 -178.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.615 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.1 -13.4 47.42 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.992 -1.068 . . . . 0.0 110.748 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 66.59 -35.62 0.24 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.357 -0.84 . . . . 0.0 109.825 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.552 ' H ' ' C ' ' A' ' 20' ' ' ALA . 3.5 m120 -152.96 151.71 30.62 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.249 -0.907 . . . . 0.0 109.731 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.484 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -52.93 -14.95 0.65 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.143 -0.973 . . . . 0.0 109.18 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.71 -58.79 4.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.866 -1.146 . . . . 0.0 110.031 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.57 -12.92 57.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.789 -1.194 . . . . 0.0 109.863 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.512 HG23 ' CB ' ' A' ' 20' ' ' ALA . 18.6 t -70.48 -46.97 68.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -54.99 -43.59 73.7 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.945 0.879 . . . . 0.0 108.923 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.52 -60.79 3.16 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.512 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -44.04 -52.05 7.39 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.256 0.55 . . . . 0.0 110.583 -178.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.94 -32.7 71.04 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.17 -0.956 . . . . 0.0 110.547 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 m -66.28 -30.54 70.99 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.347 -1.47 . . . . 0.0 108.027 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HG2' ' H ' ' A' ' 32' ' ' LYS . 4.5 mmtt -69.7 -41.11 75.82 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 178.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.686 ' O ' ' N ' ' A' ' 37' ' ' ALA . 1.3 mtp -54.29 -51.73 63.69 Favored 'General case' 0 C--O 1.2 -1.542 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.474 ' NH2' ' O ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -37.31 -49.99 0.99 Allowed 'General case' 0 N--CA 1.501 2.08 0 CA-C-O 121.869 0.842 . . . . 0.0 109.244 179.179 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.99 -55.69 13.35 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.299 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.433 ' HB2' HG22 ' A' ' 9' ' ' THR . . . -66.23 -21.35 66.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.476 -0.765 . . . . 0.0 110.208 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.686 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -63.09 -69.84 0.24 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.119 -0.988 . . . . 0.0 109.981 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.41 -19.7 66.06 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.208 -0.933 . . . . 0.0 109.429 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -61.73 -40.99 97.03 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 43' ' ' ALA . . . -58.52 -35.72 72.71 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -41.45 13.33 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -86.25 -5.01 59.28 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.786 -0.572 . . . . 0.0 110.617 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.507 ' O ' ' ND2' ' A' ' 6' ' ' ASN . . . -162.85 93.12 0.8 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.725 -1.234 . . . . 0.0 108.952 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' GLY . 4.1 t80 . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 106.541 -1.652 . . . . 0.0 106.541 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 66' ' ' ASP . 1.1 ttt180 -53.51 -34.03 56.63 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 176.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -55.56 -38.1 68.88 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -70.14 -44.73 59.34 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.259 -1.537 . . . . 0.0 109.259 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.565 ' O ' HG22 ' A' ' 69' ' ' VAL . 12.6 m-85 -72.11 -43.02 65.41 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 62' ' ' ARG . 10.7 t70 -43.75 -38.84 3.39 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mm -67.33 -66.61 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 O-C-N 121.759 -0.588 . . . . 0.0 110.035 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 pp -55.37 -48.45 74.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.192 -0.943 . . . . 0.0 110.503 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 65' ' ' PHE . 5.8 m -64.81 -21.51 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 120.438 -1.414 . . . . 0.0 109.794 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.427 ' O ' ' OD1' ' A' ' 73' ' ' ASP . . . -68.89 -48.24 49.76 Favored Glycine 0 N--CA 1.496 2.697 0 O-C-N 121.319 -0.863 . . . . 0.0 111.172 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.565 ' OE1' ' NE2' ' A' ' 93' ' ' GLN . 8.8 pt20 -71.99 -26.16 62.13 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.695 -1.473 . . . . 0.0 109.11 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.408 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 4.0 mm -61.15 -57.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 3.5 p30 -58.79 -32.24 69.15 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.546 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 22.8 t70 -59.82 -20.0 54.22 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 117.743 -1.583 . . . . 0.0 107.327 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 72' ' ' ILE . . . -72.57 -35.43 67.95 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 176.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' ASP . 5.0 tt -57.77 -39.76 78.2 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 177.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.41 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 11.8 ttpp -64.12 -45.18 89.7 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 122.337 1.065 . . . . 0.0 110.034 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.3 mp -64.47 -53.99 39.55 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.82 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.15 -32.88 4.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.084 -1.01 . . . . 0.0 109.209 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' A' ' 77' ' ' LYS . 4.6 m-20 -65.73 -30.28 70.92 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 78' ' ' LEU . 24.6 tt0 -86.12 7.12 26.09 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.06 42.97 5.79 Favored Glycine 0 N--CA 1.497 2.742 0 O-C-N 121.253 -0.904 . . . . 0.0 111.474 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -101.2 70.95 1.36 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.972 -1.311 . . . . 0.0 109.894 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.484 HG22 ' HB2' ' A' ' 23' ' ' ALA . 39.9 t -63.6 -52.34 58.86 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 CA-C-O 121.279 0.561 . . . . 0.0 110.033 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -74.8 -50.7 16.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.383 -0.823 . . . . 0.0 110.389 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.65 -42.89 79.71 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.493 -0.754 . . . . 0.0 109.875 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.79 84.18 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.04 -1.037 . . . . 0.0 109.85 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.579 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 25.1 mt-30 -63.58 -39.6 94.8 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.029 -1.044 . . . . 0.0 108.681 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.1 96.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.971 -1.081 . . . . 0.0 108.248 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.95 -22.54 65.72 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -63.58 -52.0 62.9 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.842 -1.161 . . . . 0.0 108.535 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.27 -11.21 29.44 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.378 -0.826 . . . . 0.0 110.385 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.565 ' NE2' ' OE1' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -76.43 -32.61 58.58 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.7 tp -66.06 -51.55 57.08 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -50.54 -65.19 0.6 Allowed 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.613 0.72 . . . . 0.0 109.799 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 m -64.19 -32.17 73.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.274 -0.891 . . . . 0.0 110.571 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 93' ' ' GLN . 1.7 m -49.88 -54.97 16.2 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.696 -1.253 . . . . 0.0 108.988 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.04 -55.9 12.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.017 -1.052 . . . . 0.0 108.448 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -58.53 -50.55 73.35 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.692 -1.255 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.17 -31.71 71.45 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.992 -1.068 . . . . 0.0 109.794 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.8 m-30 -72.77 -6.34 44.08 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.0 OUTLIER 91.25 66.2 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 104.62 -2.363 . . . . 0.0 104.62 -176.621 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 102' ' ' ASN . 9.7 mm-40 46.39 57.49 5.33 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -176.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.1 tptt 60.9 -80.37 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.204 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.82 2.77 1.06 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.111 -1.618 . . . . 0.0 109.75 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.118 0 CA-C-O 118.015 -1.436 . . . . 0.0 110.407 179.459 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.34 0.591 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -76.46 -35.6 58.37 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.832 -1.168 . . . . 0.0 109.889 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.478 HD22 ' HB2' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -52.46 -41.9 63.71 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 178.45 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.1 m95 -57.52 -41.01 80.01 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.3 -45.49 87.89 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.446 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.8 m -56.0 -56.28 22.63 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.35 -24.01 67.66 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.341 0.591 . . . . 0.0 109.892 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' TRP . 52.1 t-20 -63.83 -68.9 0.31 Allowed 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.63 -1.294 . . . . 0.0 109.925 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.65 -16.43 2.46 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.88 -0.513 . . . . 0.0 109.89 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 9' ' ' THR . 5.9 m-80 -66.59 -56.85 8.81 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 117.917 -1.513 . . . . 0.0 108.332 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.2 mm? -57.07 -34.6 68.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.11 -0.994 . . . . 0.0 108.931 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -58.27 -45.39 87.97 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.722 -0.611 . . . . 0.0 110.098 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.635 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.7 t -68.52 -59.09 4.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.848 -1.158 . . . . 0.0 110.699 -178.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -46.27 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 O-C-N 120.431 -1.418 . . . . 0.0 107.814 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 4.6 mm-40 -57.85 -31.14 66.38 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 16' ' ' VAL . 17.7 mtpt -127.08 36.55 4.42 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.482 -0.761 . . . . 0.0 110.116 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.635 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.99 -15.14 61.96 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.247 -0.908 . . . . 0.0 110.416 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 64.5 -31.66 0.13 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.698 -0.626 . . . . 0.0 109.96 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.577 ' H ' ' C ' ' A' ' 20' ' ' ALA . 6.6 m120 -154.39 152.64 30.43 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.141 -0.974 . . . . 0.0 109.72 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.04 -13.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.165 -0.959 . . . . 0.0 109.383 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 22' ' ' ASN . . . -66.27 -62.52 1.43 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.24 -0.913 . . . . 0.0 110.236 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -66.53 -10.82 48.87 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.963 -1.086 . . . . 0.0 110.425 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.498 HG23 ' CB ' ' A' ' 20' ' ' ALA . 12.1 t -69.2 -59.76 3.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 120.913 -1.117 . . . . 0.0 108.104 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 15.2 ptmt -57.92 -32.28 67.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.555 -0.716 . . . . 0.0 110.111 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -61.15 2.7 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.148 -0.97 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.434 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -50.56 -41.62 54.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.744 -0.597 . . . . 0.0 110.624 -178.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.524 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 14.7 mt -60.23 -42.26 94.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.763 -1.211 . . . . 0.0 109.741 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.9 m -58.57 -34.02 70.59 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.886 -1.134 . . . . 0.0 109.316 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -72.25 -38.68 68.82 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.628 ' O ' ' N ' ' A' ' 37' ' ' ALA . 3.7 mtm -60.77 -42.26 97.12 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.524 ' NH1' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -48.23 -50.81 28.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.94 -1.1 . . . . 0.0 108.148 178.568 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.25 -52.4 41.28 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.292 0.568 . . . . 0.0 109.665 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.58 -25.31 68.18 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 0.0 109.322 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.628 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.63 -72.03 0.18 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.259 -0.9 . . . . 0.0 111.309 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.424 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 11.6 mt -58.78 -22.6 58.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.102 -0.998 . . . . 0.0 108.88 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -61.74 -37.96 86.16 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.478 ' HB2' HD22 ' A' ' 6' ' ' ASN . . . -63.17 -28.35 69.99 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' ALA . 1.2 tm0? -44.17 -46.05 8.64 Favored 'General case' 0 N--CA 1.511 2.597 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -106.92 23.05 15.0 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.303 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.79 55.14 0.11 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 64' ' ' GLY . 15.1 t80 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.577 ' O ' ' N ' ' A' ' 66' ' ' ASP . 14.7 ttp180 -52.45 -31.94 37.18 Favored 'General case' 0 C--O 1.203 -1.381 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 176.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -54.41 -33.83 60.14 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -71.62 -52.02 13.99 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -70.49 -36.91 74.09 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.487 -1.008 . . . . 0.0 108.884 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 62' ' ' ARG . 14.7 t70 -54.45 -41.5 69.53 Favored 'General case' 0 C--N 1.29 -2.002 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.1 mm -64.25 -64.15 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.407 -0.808 . . . . 0.0 110.226 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.42 HD13 HD11 ' A' ' 94' ' ' LEU . 2.2 pp -53.81 -45.85 70.93 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.239 -0.913 . . . . 0.0 109.992 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.405 HG22 ' HE ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -67.5 -17.47 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 120.548 -1.345 . . . . 0.0 109.923 178.514 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.59 -57.56 8.89 Favored Glycine 0 N--CA 1.487 2.046 0 C-N-CA 119.71 -1.233 . . . . 0.0 111.727 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.406 HE21 ' HB2' ' A' ' 71' ' ' GLN . 2.0 pt20 -72.72 -26.13 61.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.749 -1.442 . . . . 0.0 110.029 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.51 HG21 ' NH2' ' A' ' 34' ' ' ARG . 3.6 mm -60.52 -57.12 13.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 121.167 -0.958 . . . . 0.0 109.037 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -56.82 -36.66 70.21 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.1 -20.91 64.54 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 117.475 -1.69 . . . . 0.0 107.734 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 72' ' ' ILE . . . -71.61 -34.81 70.16 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 176.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 76' ' ' LEU . 5.4 tt -57.97 -39.52 78.36 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 177.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -65.84 -47.67 74.21 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.421 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.3 mp -63.12 -55.91 21.32 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 121.685 -0.634 . . . . 0.0 109.814 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HA ' ' H ' ' A' ' 83' ' ' LYS . . . -44.69 -39.47 5.14 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.085 -1.009 . . . . 0.0 109.615 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -60.45 -30.4 69.64 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.604 ' N ' ' O ' ' A' ' 78' ' ' LEU . 11.9 tp10 -84.53 3.09 38.13 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.4 43.96 5.41 Favored Glycine 0 N--CA 1.498 2.809 0 O-C-N 121.212 -0.93 . . . . 0.0 111.918 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.409 ' H ' ' HA ' ' A' ' 79' ' ' ALA . 25.6 mmtp -103.61 68.49 0.94 Allowed 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.886 -1.361 . . . . 0.0 109.547 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.5 t -61.84 -42.44 94.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 O-C-N 121.484 -0.76 . . . . 0.0 110.782 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -55.21 6.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.038 -1.039 . . . . 0.0 110.205 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -44.31 90.05 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.683 -0.636 . . . . 0.0 110.128 -178.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.4 -49.65 74.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.927 -1.108 . . . . 0.0 109.322 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.614 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 20.4 mt-30 -62.67 -37.74 87.61 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.25 81.38 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.0 -23.53 66.48 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 178.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.58 -54.31 34.0 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.749 -0.594 . . . . 0.0 109.714 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.58 -15.42 38.75 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.076 -1.015 . . . . 0.0 109.346 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.439 ' OE1' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -75.35 -43.22 51.71 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 179.125 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.538 ' CD2' ' SD ' ' A' ' 33' ' ' MET . 16.0 tp -67.14 -38.72 86.03 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.118 -0.989 . . . . 0.0 109.217 178.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -56.7 -69.69 0.14 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.116 -0.99 . . . . 0.0 109.857 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 100' ' ' ALA . 0.7 OUTLIER -64.46 -23.91 67.44 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.388 -0.82 . . . . 0.0 110.247 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.439 ' OG1' ' OE1' ' A' ' 93' ' ' GLN . 1.9 m -48.46 -60.64 2.52 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.641 -1.287 . . . . 0.0 108.297 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.0 -57.67 7.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.791 -0.568 . . . . 0.0 109.645 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -58.22 -50.89 71.96 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.661 -1.275 . . . . 0.0 110.784 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 96' ' ' THR . . . -62.0 -29.62 70.39 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.886 -1.134 . . . . 0.0 109.304 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.51 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.3 m-30 -73.0 -6.42 45.33 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.2 t30 90.59 64.9 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -176.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 102' ' ' ASN . 7.4 mm-40 47.81 56.89 6.57 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 -176.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.5 tptt 58.72 -83.16 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.314 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.64 10.15 1.21 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.382 -1.449 . . . . 0.0 109.087 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.007 0 CA-C-O 118.112 -1.382 . . . . 0.0 109.682 -179.868 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 120.957 0.408 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 22.0 p-10 -74.31 -36.96 63.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.802 -1.186 . . . . 0.0 110.991 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.529 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -52.76 -39.91 62.63 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.1 -1.815 . . . . 0.0 106.1 179.102 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.546 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.6 m95 -62.08 -43.79 98.08 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -51.78 -47.92 64.01 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.518 -0.739 . . . . 0.0 109.409 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.412 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 1.2 m -54.35 -57.3 11.79 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.487 ' CD1' ' HB1' ' A' ' 36' ' ' ALA . 1.2 mp -65.51 -24.92 67.25 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 121.497 0.665 . . . . 0.0 109.309 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.546 ' N ' ' O ' ' A' ' 7' ' ' TRP . 46.0 t-20 -63.23 -65.74 0.64 Allowed 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.694 -1.254 . . . . 0.0 109.919 -178.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.92 -18.82 3.76 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.752 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 9' ' ' THR . 7.3 m-80 -65.73 -58.22 6.18 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 117.804 -1.558 . . . . 0.0 108.581 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.4 mm? -56.14 -33.59 65.32 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.148 -0.97 . . . . 0.0 109.011 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HZ1' ' HE2' ' A' ' 19' ' ' LYS . 13.7 ttpp -59.11 -49.42 77.96 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.706 -0.621 . . . . 0.0 111.038 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' ALA . 3.1 t -66.87 -53.2 36.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 120.632 -1.292 . . . . 0.0 111.03 -178.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.459 HD11 ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -50.96 -45.03 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 120.21 -1.556 . . . . 0.0 107.89 -179.553 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' HA ' HE21 ' A' ' 88' ' ' GLN . 3.9 mm-40 -60.81 -25.97 66.98 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 16' ' ' VAL . 12.1 mtpt -127.73 38.08 4.1 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.575 -0.703 . . . . 0.0 109.508 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.04 -34.02 77.07 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.468 -0.77 . . . . 0.0 111.32 -179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 1.7 m-20 72.69 -35.34 0.32 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.238 -0.914 . . . . 0.0 109.135 -178.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.471 ' H ' ' C ' ' A' ' 20' ' ' ALA . 7.1 m120 -152.26 153.85 34.57 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.149 -0.97 . . . . 0.0 109.901 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.78 -19.33 4.14 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.293 -0.879 . . . . 0.0 109.511 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.01 -54.06 36.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.201 -0.937 . . . . 0.0 109.949 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.409 ' OE1' ' O ' ' A' ' 20' ' ' ALA . 1.9 mt-30 -70.26 -14.68 62.71 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.801 -1.187 . . . . 0.0 110.437 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.02 -63.89 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 120.91 -1.119 . . . . 0.0 108.728 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -26.43 39.48 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.789 -0.57 . . . . 0.0 109.706 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 3.2 t70 -60.54 -61.76 2.36 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.973 -1.079 . . . . 0.0 108.51 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.48 -48.82 47.51 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.709 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.01 -36.42 72.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.928 -1.108 . . . . 0.0 109.623 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.2 m -64.69 -30.88 71.91 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.623 -1.298 . . . . 0.0 108.475 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 28' ' ' ASP . 6.0 mmtt -73.72 -37.66 65.06 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.671 ' O ' ' N ' ' A' ' 37' ' ' ALA . 7.1 mtt -56.53 -44.04 80.43 Favored 'General case' 0 C--O 1.199 -1.554 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.52 HH12 ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.26 -49.63 23.08 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.258 -0.901 . . . . 0.0 108.779 179.136 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.62 -50.96 63.11 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 119.526 -0.87 . . . . 0.0 108.721 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.487 ' HB1' ' CD1' ' A' ' 10' ' ' LEU . . . -68.19 -21.61 64.87 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.415 -0.803 . . . . 0.0 109.958 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -63.58 -70.41 0.22 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.159 -0.963 . . . . 0.0 110.631 -178.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -32.83 72.22 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.671 -1.212 . . . . 0.0 110.285 -178.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -58.59 -35.68 72.79 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -63.63 -33.92 76.69 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 176.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' ALA . 1.1 tm0? -41.13 -33.28 0.33 Allowed 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -78.76 0.17 Allowed 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.53 108.02 18.37 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -178.936 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -56.86 -33.66 67.03 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -53.36 -36.16 61.07 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.16 -46.08 45.4 Favored Glycine 0 N--CA 1.497 2.735 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -73.3 -41.04 64.04 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.429 -1.042 . . . . 0.0 108.715 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -50.31 -43.95 53.91 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -177.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.6 mm -63.04 -64.34 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.283 -0.885 . . . . 0.0 109.498 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.3 pp -56.42 -40.9 75.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.0 -1.063 . . . . 0.0 109.868 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.52 ' CG1' HH12 ' A' ' 34' ' ' ARG . 63.6 t -66.5 -22.41 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.879 -1.138 . . . . 0.0 110.57 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.87 -48.15 35.48 Favored Glycine 0 N--CA 1.497 2.718 0 O-C-N 121.041 -1.037 . . . . 0.0 112.151 -177.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -73.42 -28.05 61.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.609 -1.524 . . . . 0.0 110.298 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 mm -59.49 -56.73 15.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 O-C-N 121.092 -1.005 . . . . 0.0 108.872 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.6 p30 -58.31 -31.85 67.9 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 12.1 t70 -63.55 -22.09 66.7 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.089 -1.632 . . . . 0.0 108.031 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.19 -33.03 65.18 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 176.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.498 HD23 HD22 ' A' ' 80' ' ' ASN . 8.6 tt -57.52 -35.69 70.6 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -64.87 -46.51 81.48 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.003 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 81' ' ' GLU . 6.2 mp -63.42 -57.06 11.49 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 121.714 -0.616 . . . . 0.0 109.718 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.98 -34.16 3.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.095 -1.003 . . . . 0.0 109.896 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.498 HD22 HD23 ' A' ' 76' ' ' LEU . 7.0 m-20 -65.71 -28.23 68.91 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 78' ' ' LEU . 19.3 tt0 -88.24 13.68 10.98 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.547 -0.721 . . . . 0.0 109.471 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.76 35.51 13.2 Favored Glycine 0 N--CA 1.498 2.794 0 O-C-N 121.218 -0.926 . . . . 0.0 111.93 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -101.25 66.38 1.11 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.816 -1.402 . . . . 0.0 110.683 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.98 -43.85 96.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 O-C-N 121.247 -0.908 . . . . 0.0 110.219 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.11 -49.75 22.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.137 -0.977 . . . . 0.0 110.233 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.25 -42.98 96.45 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.502 -0.749 . . . . 0.0 109.886 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.15 -42.95 88.34 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.931 -1.105 . . . . 0.0 109.625 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.624 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 32.4 mt-30 -61.99 -41.02 97.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.99 -1.069 . . . . 0.0 108.254 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.5 97.89 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.34 -24.18 66.27 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.3 -43.26 95.29 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.38 -15.58 60.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.378 -0.826 . . . . 0.0 109.25 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.48 ' O ' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -76.1 -42.22 47.86 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.14 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.5 HD23 HD21 ' A' ' 14' ' ' LEU . 56.7 tp -64.81 -42.9 94.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.258 -0.901 . . . . 0.0 109.181 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -54.73 -62.19 1.82 Allowed 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.059 -1.026 . . . . 0.0 108.893 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.09 -23.26 64.91 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.426 -0.796 . . . . 0.0 110.501 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 93' ' ' GLN . 19.3 m -49.82 -57.95 6.35 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.496 -1.378 . . . . 0.0 108.114 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.5 mp -59.35 -56.51 16.64 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 121.959 -0.463 . . . . 0.0 110.515 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -57.99 -46.73 84.74 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.572 -1.33 . . . . 0.0 111.386 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -61.31 -41.4 96.94 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.756 -1.215 . . . . 0.0 109.373 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.491 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.9 m-30 -66.28 -0.62 2.69 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.6 t30 85.48 69.1 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 -178.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 105' ' ' TYR . 7.3 mm-40 46.19 54.57 8.17 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.9 tptt 60.19 -70.16 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.239 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -142.53 -12.29 0.79 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.482 -1.386 . . . . 0.0 109.696 178.312 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.416 ' OXT' ' O ' ' A' ' 105' ' ' TYR . . . . . . . . 0 N--CA 1.496 2.696 0 CA-C-O 118.075 -1.403 . . . . 0.0 110.41 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 121.184 0.516 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.03 -32.64 63.43 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.651 -1.281 . . . . 0.0 109.481 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.465 ' CG ' ' N ' ' A' ' 7' ' ' TRP . 2.4 p30 -51.51 -45.17 62.78 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 178.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.465 ' N ' ' CG ' ' A' ' 6' ' ' ASN . 1.8 m95 -55.48 -40.04 71.16 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.415 ' OE2' ' OD2' ' A' ' 12' ' ' ASP . 4.6 tm-20 -61.03 -40.13 92.39 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.437 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.0 m -57.65 -54.25 48.95 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.592 HD12 ' HB1' ' A' ' 36' ' ' ALA . 7.6 mp -64.72 -29.36 70.34 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.605 0.717 . . . . 0.0 109.269 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 7' ' ' TRP . 51.4 t30 -60.15 -64.96 0.76 Allowed 'General case' 0 C--N 1.29 -2.004 0 O-C-N 120.567 -1.333 . . . . 0.0 109.85 -179.145 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.415 ' OD2' ' OE2' ' A' ' 8' ' ' GLU . 91.6 m-20 -54.33 -21.55 9.72 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.631 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 9' ' ' THR . 10.8 m-80 -68.27 -61.35 1.88 Allowed 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 118.148 -1.421 . . . . 0.0 108.046 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.2 mm? -55.25 -33.14 62.9 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.254 -0.904 . . . . 0.0 109.387 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -54.78 -55.36 30.88 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.58 -0.7 . . . . 0.0 110.887 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.1 t -63.79 -50.55 77.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 120.734 -1.229 . . . . 0.0 111.172 -178.137 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.73 -53.98 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 120.154 -1.591 . . . . 0.0 108.464 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.13 -18.37 9.76 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.475 -0.89 . . . . 0.0 108.763 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 16' ' ' VAL . 22.3 mtpt -129.13 28.32 5.29 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.385 -0.822 . . . . 0.0 110.034 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.618 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.47 -17.99 64.35 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.096 -1.003 . . . . 0.0 110.966 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 68.74 -33.29 0.24 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.557 -0.715 . . . . 0.0 109.505 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.536 ' H ' ' C ' ' A' ' 20' ' ' ALA . 4.1 m120 -153.23 149.51 28.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.17 -0.956 . . . . 0.0 109.775 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.613 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -52.69 -9.93 0.14 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 0.0 109.338 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' A' ' 22' ' ' ASN . . . -68.38 -61.6 1.77 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.006 -1.059 . . . . 0.0 110.183 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.98 -11.32 46.87 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.871 -1.143 . . . . 0.0 110.042 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.525 HG23 ' CB ' ' A' ' 20' ' ' ALA . 18.2 t -69.89 -58.01 6.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.116 -0.99 . . . . 0.0 108.473 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 14.1 ptmt -57.41 -33.61 68.05 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.285 -0.884 . . . . 0.0 109.837 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -63.08 -58.71 6.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.086 -1.009 . . . . 0.0 108.364 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.491 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -49.21 -45.04 43.78 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.073 0.463 . . . . 0.0 110.66 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.405 HD13 ' N ' ' A' ' 76' ' ' LEU . 18.6 mt -60.23 -35.33 75.21 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.069 -1.019 . . . . 0.0 110.335 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 m -64.4 -30.51 71.55 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.523 -1.36 . . . . 0.0 107.997 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -73.26 -37.24 66.39 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.667 ' O ' ' N ' ' A' ' 37' ' ' ALA . 11.1 mtp -59.68 -40.63 88.47 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.67 -46.98 20.34 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.98 -50.29 66.94 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.592 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -68.34 -18.17 64.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.336 -0.853 . . . . 0.0 109.411 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -65.28 -71.23 0.19 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.246 -0.909 . . . . 0.0 110.832 -178.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.431 HD21 HH21 ' A' ' 62' ' ' ARG . 5.4 mt -64.28 -23.52 67.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.064 -1.023 . . . . 0.0 109.563 -178.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -62.58 -35.81 80.71 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.665 ' HB1' ' CG2' ' A' ' 44' ' ' THR . . . -57.66 -39.72 77.68 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 177.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -48.3 -36.64 14.61 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -98.21 -1.26 42.46 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.67 -0.644 . . . . 0.0 112.323 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.42 90.06 0.71 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.344 -1.472 . . . . 0.0 109.413 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.665 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.301 -1.526 0 O-C-N 121.468 -0.77 . . . . 0.0 108.949 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.431 HH21 HD21 ' A' ' 38' ' ' LEU . 17.5 ttt180 -57.7 -35.67 70.94 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 176.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -50.98 -40.65 58.4 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.72 -44.24 81.73 Favored Glycine 0 N--CA 1.497 2.757 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.528 ' CZ ' HG21 ' A' ' 44' ' ' THR . 29.6 m-85 -70.72 -44.88 65.97 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' PHE . 66.7 t0 -37.86 -44.09 0.73 Allowed 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.615 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mt -68.59 -62.08 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.445 -0.784 . . . . 0.0 110.038 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 pp -58.08 -47.16 84.04 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.001 -1.062 . . . . 0.0 111.14 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' ' 72' ' ' ILE . 9.2 m -62.07 -21.25 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 120.187 -1.571 . . . . 0.0 109.626 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.75 -41.92 88.0 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -24.81 60.54 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.07 -1.253 . . . . 0.0 110.33 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 69' ' ' VAL . 79.4 mt -60.42 -57.81 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.75 -1.219 . . . . 0.0 107.778 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' LEU . 2.8 p30 -61.33 -37.44 83.27 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.769 -0.582 . . . . 0.0 109.653 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.65 -22.17 61.53 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.085 -1.634 . . . . 0.0 108.109 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.28 -33.57 69.86 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.493 HD23 HD22 ' A' ' 80' ' ' ASN . 5.8 tt -59.61 -39.96 85.98 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 177.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -63.37 -45.38 91.43 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 122.119 0.961 . . . . 0.0 109.895 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.4 mp -64.63 -54.61 29.16 Favored 'General case' 0 C--N 1.291 -1.952 0 O-C-N 121.829 -0.545 . . . . 0.0 109.978 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.08 -41.25 11.98 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.051 -1.031 . . . . 0.0 109.522 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.493 HD22 HD23 ' A' ' 76' ' ' LEU . 1.1 m-20 -62.63 -26.45 68.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.953 -1.092 . . . . 0.0 108.316 178.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 78' ' ' LEU . 46.0 tt0 -86.41 7.44 25.76 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.01 34.29 8.99 Favored Glycine 0 N--CA 1.495 2.595 0 O-C-N 121.116 -0.99 . . . . 0.0 111.333 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -95.39 72.08 3.22 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.78 -1.424 . . . . 0.0 109.342 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.613 HG22 ' HB2' ' A' ' 23' ' ' ALA . 59.2 t -62.57 -59.58 4.12 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 CA-C-O 121.307 0.575 . . . . 0.0 110.166 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -49.03 25.46 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.416 -0.802 . . . . 0.0 110.472 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -53.69 -44.02 69.42 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.593 -0.692 . . . . 0.0 109.812 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.94 83.96 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.906 -1.122 . . . . 0.0 109.664 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.739 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 45.1 mt-30 -62.95 -43.81 97.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.128 -0.983 . . . . 0.0 108.816 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.4 98.41 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.192 -0.942 . . . . 0.0 108.911 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.19 -25.52 67.09 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -62.72 -46.87 86.08 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -63.16 -12.86 30.89 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.486 -0.758 . . . . 0.0 109.013 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.594 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.39 -42.26 59.56 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.684 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -70.21 -35.77 74.11 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.718 -0.793 . . . . 0.0 109.317 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -56.25 -64.83 0.73 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.768 -1.208 . . . . 0.0 108.352 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.6 m -66.84 -20.97 66.03 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.292 -0.88 . . . . 0.0 110.454 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.594 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 18.6 m -50.12 -55.98 12.79 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.472 -1.392 . . . . 0.0 107.92 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.463 HG23 ' HB2' ' A' ' 104' ' ' LYS . 1.4 mp -58.19 -56.03 18.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -58.05 -50.37 73.68 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.53 -1.356 . . . . 0.0 111.033 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.83 73.42 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.029 -1.045 . . . . 0.0 110.148 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.506 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.5 m-30 -70.24 -1.74 11.22 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.7 t30 89.62 63.97 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 105.058 -2.201 . . . . 0.0 105.058 -176.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' ASN . 7.4 mm-40 47.76 54.4 9.93 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 -176.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.463 ' HB2' HG23 ' A' ' 98' ' ' ILE . 14.5 tptp 60.61 -84.63 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.365 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.88 11.32 1.6 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.599 -1.313 . . . . 0.0 109.054 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 CA-C-O 117.942 -1.477 . . . . 0.0 109.591 -179.836 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.547 0.689 . . . . 0.0 109.191 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 8' ' ' GLU . 5.6 t70 -77.26 -42.56 36.62 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.253 -0.904 . . . . 0.0 109.952 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -50.2 -40.79 48.25 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 178.853 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -58.8 -37.35 76.16 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' ASP . 39.1 tt0 -60.34 -41.68 94.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.531 -0.731 . . . . 0.0 109.449 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.471 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 5.1 m -57.12 -52.04 66.88 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.451 HD12 ' HB1' ' A' ' 36' ' ' ALA . 5.7 mp -64.13 -28.13 69.56 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.613 0.721 . . . . 0.0 109.151 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -61.25 -65.62 0.66 Allowed 'General case' 0 C--N 1.293 -1.875 0 O-C-N 120.847 -1.158 . . . . 0.0 110.104 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -54.38 -21.22 9.0 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 9' ' ' THR . 17.9 m-80 -68.4 -64.12 0.93 Allowed 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 117.723 -1.591 . . . . 0.0 107.811 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.624 HD13 ' HB1' ' A' ' 91' ' ' ALA . 4.1 mm? -52.34 -31.27 32.6 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.341 -0.85 . . . . 0.0 108.971 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -58.5 -48.98 79.03 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.504 -0.747 . . . . 0.0 109.616 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.608 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.3 t -69.18 -57.69 7.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 120.815 -1.178 . . . . 0.0 111.002 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -49.93 -45.13 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 O-C-N 120.045 -1.66 . . . . 0.0 108.172 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 5.1 mm-40 -58.84 -27.16 64.85 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 177.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 16' ' ' VAL . 11.6 mtpp -127.28 36.22 4.44 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.709 -0.619 . . . . 0.0 109.614 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.608 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -62.81 -27.67 69.47 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.105 -0.997 . . . . 0.0 110.605 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER 71.59 -33.8 0.28 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.382 -0.824 . . . . 0.0 109.377 -178.77 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.498 ' H ' ' C ' ' A' ' 20' ' ' ALA . 2.7 m120 -153.5 154.36 34.21 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.212 -0.93 . . . . 0.0 109.658 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.64 -21.95 7.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.199 -0.938 . . . . 0.0 109.823 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -49.13 71.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.133 -0.98 . . . . 0.0 109.957 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.582 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 16.3 mp0 -72.69 -14.7 61.63 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.505 -1.372 . . . . 0.0 110.351 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.494 HG23 ' CB ' ' A' ' 20' ' ' ALA . 8.3 t -69.49 -57.08 9.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 120.903 -1.123 . . . . 0.0 108.457 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -29.73 67.16 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 0.0 109.603 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -62.06 2.14 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.001 -1.062 . . . . 0.0 108.789 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.477 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -54.84 -40.77 69.94 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.632 -0.667 . . . . 0.0 110.681 -179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.484 HD23 ' SD ' ' A' ' 33' ' ' MET . 17.1 mt -61.78 -34.27 75.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.489 -1.382 . . . . 0.0 109.984 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.8 m -65.44 -33.21 75.4 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.795 -1.19 . . . . 0.0 108.662 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.411 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 5.2 mmtt -73.51 -35.42 65.59 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.652 ' O ' ' N ' ' A' ' 37' ' ' ALA . 1.5 mtp -57.32 -43.02 82.93 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.567 HH12 ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -48.39 -48.65 36.72 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.794 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -56.22 14.1 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.347 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.451 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -65.7 -19.94 66.09 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.384 -0.822 . . . . 0.0 110.067 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.652 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.61 -73.57 0.13 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.056 -1.028 . . . . 0.0 110.633 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 12.3 mt -61.53 -21.85 64.62 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.415 -178.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -59.98 -40.46 89.21 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.657 ' HB1' ' CG2' ' A' ' 44' ' ' THR . . . -60.79 -31.51 70.88 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -46.0 -32.67 2.9 Favored 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.456 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -112.58 17.83 18.87 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.483 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -168.66 87.83 0.2 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.549 -1.344 . . . . 0.0 108.895 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.657 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 1.2 p . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.356 -0.84 . . . . 0.0 110.286 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 30.3 t80 . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.601 ' O ' ' N ' ' A' ' 66' ' ' ASP . 14.4 ttt180 -56.4 -36.02 68.44 Favored 'General case' 0 C--O 1.204 -1.334 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 176.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -50.46 -45.14 55.94 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.51 -48.05 59.2 Favored Glycine 0 N--CA 1.498 2.797 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CZ ' HG21 ' A' ' 44' ' ' THR . 0.8 OUTLIER -67.26 -32.82 74.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.489 -1.006 . . . . 0.0 109.028 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 62' ' ' ARG . 37.0 t70 -55.63 -39.95 71.51 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 mt -66.24 -64.32 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.374 -0.829 . . . . 0.0 109.905 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 pp -54.19 -44.78 71.86 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.263 -0.898 . . . . 0.0 109.92 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.567 ' CG1' HH12 ' A' ' 34' ' ' ARG . 84.8 t -67.73 -19.38 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 120.65 -1.281 . . . . 0.0 110.457 178.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.23 -49.49 32.69 Favored Glycine 0 N--CA 1.494 2.561 0 C-N-CA 120.217 -0.992 . . . . 0.0 111.061 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.531 ' CD ' ' NE2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -71.08 -25.24 62.53 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.925 -1.338 . . . . 0.0 110.101 -179.016 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.039 HD11 HD13 ' A' ' 94' ' ' LEU . 59.9 mt -61.84 -57.74 10.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 120.932 -1.105 . . . . 0.0 108.165 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.3 p30 -60.01 -37.53 79.97 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.401 -0.812 . . . . 0.0 109.037 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.522 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 61.4 t0 -59.76 -20.31 55.81 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 117.513 -1.675 . . . . 0.0 107.753 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 72' ' ' ILE . . . -71.83 -35.35 69.86 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 176.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.487 HD23 HD22 ' A' ' 80' ' ' ASN . 6.4 tt -58.59 -42.36 87.9 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -61.87 -48.1 82.02 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 122.4 1.095 . . . . 0.0 109.96 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.592 ' O ' ' N ' ' A' ' 81' ' ' GLU . 6.3 mp -62.64 -58.55 7.13 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.508 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.95 -34.1 1.58 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.083 -1.011 . . . . 0.0 110.043 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.487 HD22 HD23 ' A' ' 76' ' ' LEU . 4.6 m-20 -66.3 -28.36 68.63 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 78' ' ' LEU . 33.8 tt0 -85.71 3.29 41.81 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.41 39.65 6.28 Favored Glycine 0 N--CA 1.496 2.638 0 O-C-N 121.267 -0.896 . . . . 0.0 111.247 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -100.3 62.12 1.08 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.964 -1.315 . . . . 0.0 109.437 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.23 -41.36 86.61 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 O-C-N 121.5 -0.75 . . . . 0.0 110.499 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -50.23 20.0 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.025 -1.047 . . . . 0.0 110.279 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -40.76 97.46 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.72 -0.612 . . . . 0.0 110.277 -178.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.09 -47.9 82.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.003 -1.06 . . . . 0.0 109.87 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 23.4 mt-30 -64.0 -48.22 77.26 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.954 -1.091 . . . . 0.0 109.181 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.75 90.86 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.112 -0.993 . . . . 0.0 108.914 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.463 ' O ' ' CG ' ' A' ' 93' ' ' GLN . . . -60.55 -39.59 88.46 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.624 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -55.95 -43.0 77.04 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.989 -1.069 . . . . 0.0 108.155 178.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.09 -12.71 20.71 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.268 -0.895 . . . . 0.0 109.489 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.531 ' NE2' ' CD ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -76.61 -32.06 57.82 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 178.409 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.039 HD13 HD11 ' A' ' 72' ' ' ILE . 35.9 tp -66.29 -46.91 75.36 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.081 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.428 ' HD2' HD12 ' A' ' 14' ' ' LEU . 13.1 mtpt -53.84 -66.29 0.42 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.162 -0.962 . . . . 0.0 109.769 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 m -65.0 -30.75 71.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.146 -0.971 . . . . 0.0 110.936 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 93' ' ' GLN . 1.5 m -49.42 -57.41 7.01 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.658 -1.276 . . . . 0.0 108.901 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.53 -54.49 18.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.204 -0.935 . . . . 0.0 109.335 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -50.47 73.85 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.652 -1.28 . . . . 0.0 110.641 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.19 -29.16 70.18 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.0 -1.063 . . . . 0.0 109.646 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.5 m-30 -73.04 -3.65 27.53 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.1 t30 88.19 65.35 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 -176.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 102' ' ' ASN . 7.0 mm-40 47.29 54.9 8.86 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 -176.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.6 tptt 59.0 -84.49 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.231 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.72 15.98 1.11 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.398 -1.439 . . . . 0.0 108.851 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.124 0 CA-C-O 118.045 -1.42 . . . . 0.0 109.647 -179.31 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 106.573 -1.639 . . . . 0.0 106.573 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.75 -24.37 52.99 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -58.45 -43.45 88.82 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 105.088 -2.189 . . . . 0.0 105.088 177.889 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.451 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.9 m95 -58.48 -38.28 77.27 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.415 ' C ' ' OE1' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -60.68 -46.01 91.98 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.476 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 m -55.08 -52.31 63.61 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.611 HD22 ' HB1' ' A' ' 36' ' ' ALA . 4.3 mm? -64.21 -34.46 78.14 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' TRP . 45.8 t-20 -55.34 -64.01 0.98 Allowed 'General case' 0 C--N 1.292 -1.93 0 O-C-N 120.678 -1.264 . . . . 0.0 109.609 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.51 -21.88 11.37 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.894 -0.504 . . . . 0.0 109.832 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -67.77 -55.91 11.24 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 117.41 -1.716 . . . . 0.0 108.019 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.6 mm? -58.71 -31.25 68.09 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.977 0.894 . . . . 0.0 109.106 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -58.84 -53.96 52.46 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.816 -0.553 . . . . 0.0 110.916 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.582 ' O ' ' N ' ' A' ' 20' ' ' ALA . 4.8 t -66.87 -52.54 43.46 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 120.597 -1.314 . . . . 0.0 111.797 -178.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -45.81 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.343 0 O-C-N 119.945 -1.722 . . . . 0.0 107.887 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 5.3 mm-40 -60.97 -26.22 67.39 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -124.42 36.18 4.66 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.595 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -62.18 -33.44 74.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.679 -0.638 . . . . 0.0 111.041 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 1.7 m-20 72.11 -32.25 0.24 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.46 -0.775 . . . . 0.0 109.28 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.511 ' H ' ' C ' ' A' ' 20' ' ' ALA . 1.8 m120 -152.74 149.04 27.95 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.213 -0.929 . . . . 0.0 109.555 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.7 -17.18 2.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.287 -0.883 . . . . 0.0 109.212 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.56 -56.64 7.63 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.065 -1.022 . . . . 0.0 109.905 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.595 ' NE2' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -65.1 -10.85 33.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.929 -1.107 . . . . 0.0 110.413 -179.065 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.455 HG23 ' CB ' ' A' ' 20' ' ' ALA . 13.8 t -71.31 -51.15 36.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 178.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -55.54 -38.45 69.31 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.793 0.806 . . . . 0.0 109.281 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.44 -61.51 2.44 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.53 71.42 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.827 -0.749 . . . . 0.0 110.659 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.52 -30.64 69.86 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.891 -1.131 . . . . 0.0 110.025 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 m -68.18 -34.22 75.9 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.461 -1.399 . . . . 0.0 108.357 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -71.45 -34.79 70.57 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.717 ' O ' ' N ' ' A' ' 37' ' ' ALA . 16.8 mtt -57.01 -47.74 80.12 Favored 'General case' 0 C--O 1.199 -1.571 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' NH2' ' O ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -44.61 -49.8 10.05 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.056 -1.027 . . . . 0.0 108.535 179.269 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.69 -57.88 5.04 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.426 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.611 ' HB1' HD22 ' A' ' 10' ' ' LEU . . . -62.27 -25.62 67.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.337 -0.852 . . . . 0.0 110.005 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.717 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -64.94 -69.45 0.29 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.195 -0.941 . . . . 0.0 110.322 -179.284 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.439 HD22 ' NE ' ' A' ' 62' ' ' ARG . 19.5 mt -63.38 -21.1 66.08 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.151 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.69 -39.88 95.4 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 106.025 -1.843 . . . . 0.0 106.025 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.93 -32.04 67.4 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -50.4 -37.93 40.23 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 177.707 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -100.02 9.24 43.2 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.385 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.457 ' O ' ' ND2' ' A' ' 6' ' ' ASN . . . -165.79 75.68 0.22 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.748 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.581 ' O ' ' N ' ' A' ' 66' ' ' ASP . 23.2 ttt180 -54.77 -38.33 67.1 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 106.997 -1.482 . . . . 0.0 106.997 176.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -51.79 -36.34 47.28 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.24 -48.51 38.12 Favored Glycine 0 N--CA 1.502 3.035 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.608 ' O ' HG22 ' A' ' 69' ' ' VAL . 3.0 m-85 -68.06 -37.63 81.53 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 62' ' ' ARG . 19.5 t70 -46.12 -40.52 11.1 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.4 mt -65.94 -65.19 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.591 -0.693 . . . . 0.0 109.827 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 69' ' ' VAL . 2.4 pp -56.24 -50.55 71.0 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.241 -0.912 . . . . 0.0 110.88 -178.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 65' ' ' PHE . 5.9 m -63.72 -17.25 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 120.331 -1.481 . . . . 0.0 110.308 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.46 -53.94 18.5 Favored Glycine 0 N--CA 1.497 2.75 0 O-C-N 121.244 -0.91 . . . . 0.0 110.925 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -68.68 -19.28 64.38 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.695 -1.473 . . . . 0.0 109.425 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 1.043 HD11 HD13 ' A' ' 94' ' ' LEU . 6.6 mt -60.96 -63.02 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.8 p30 -55.74 -34.61 65.32 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 64.2 t0 -58.31 -20.67 44.9 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 117.776 -1.569 . . . . 0.0 107.73 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.33 -36.04 68.74 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 73' ' ' ASP . 6.4 tt -58.36 -41.81 85.55 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 177.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -60.97 -47.26 87.26 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.636 1.207 . . . . 0.0 109.436 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.5 mp -64.56 -57.84 8.02 Favored 'General case' 0 C--N 1.287 -2.152 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.621 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.66 -35.47 2.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.212 -0.93 . . . . 0.0 110.082 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.6 m120 -65.26 -29.65 70.45 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.742 -1.223 . . . . 0.0 107.849 178.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 78' ' ' LEU . 29.1 tt0 -84.78 3.5 37.3 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.77 41.77 5.9 Favored Glycine 0 N--CA 1.498 2.812 0 O-C-N 121.199 -0.938 . . . . 0.0 111.346 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -99.02 64.56 1.41 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.954 -1.321 . . . . 0.0 109.182 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.9 t -60.93 -47.36 93.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.772 -0.58 . . . . 0.0 110.693 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.456 ' H ' ' HG2' ' A' ' 85' ' ' LYS . 11.4 ptmt -76.02 -50.98 13.32 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.024 -1.048 . . . . 0.0 110.27 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -42.64 99.3 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.282 -178.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.7 86.98 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.853 -1.155 . . . . 0.0 109.384 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.671 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 27.0 mt-30 -64.44 -40.96 96.74 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.096 -1.003 . . . . 0.0 109.104 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.46 84.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.944 -1.098 . . . . 0.0 108.316 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.74 -24.46 65.73 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -61.64 -51.0 70.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.533 -0.729 . . . . 0.0 109.151 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 88' ' ' GLN . 1.8 mp0 -59.93 -14.11 14.19 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.018 -1.051 . . . . 0.0 109.262 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.456 ' OE1' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -73.05 -40.71 64.86 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.207 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 1.043 HD13 HD11 ' A' ' 72' ' ' ILE . 20.5 tp -67.67 -39.78 84.47 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.864 -1.148 . . . . 0.0 109.898 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -54.46 -73.45 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.155 -0.966 . . . . 0.0 110.768 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.0 m -65.9 -17.77 64.88 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.682 -1.261 . . . . 0.0 110.755 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.456 ' OG1' ' OE1' ' A' ' 93' ' ' GLN . 1.3 m -50.43 -60.57 2.87 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.568 -1.332 . . . . 0.0 107.61 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.3 mp -55.14 -48.65 75.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.47 -0.769 . . . . 0.0 108.984 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 ttp85 -61.69 -49.64 75.69 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.521 -1.362 . . . . 0.0 110.712 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.45 -30.86 71.89 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.894 -1.129 . . . . 0.0 110.504 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.6 m-30 -70.41 -1.89 12.07 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.2 t30 89.82 61.77 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 104.553 -2.388 . . . . 0.0 104.553 -176.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 102' ' ' ASN . 6.3 mm-40 46.27 55.47 7.29 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.549 -1.649 . . . . 0.0 106.549 -175.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 98' ' ' ILE . 36.9 tptt 59.46 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 114.148 -1.387 . . . . 0.0 109.352 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.26 18.76 1.73 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.575 -1.328 . . . . 0.0 108.161 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.141 0 CA-C-O 117.969 -1.462 . . . . 0.0 109.613 -179.217 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.543 ' OE1' ' N ' ' A' ' 4' ' ' GLU . 6.4 pm0 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.212 0.53 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 5' ' ' ASP . 62.4 t0 -74.61 -35.84 62.96 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.906 -1.121 . . . . 0.0 109.825 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.84 -41.66 61.98 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.502 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.8 m95 -58.79 -39.88 82.36 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 177.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.45 -45.96 90.13 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 m -56.29 -52.46 64.43 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.26 -25.71 67.78 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.553 0.692 . . . . 0.0 109.355 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 7' ' ' TRP . 54.6 t30 -64.14 -66.12 0.59 Allowed 'General case' 0 C--N 1.292 -1.928 0 O-C-N 120.847 -1.158 . . . . 0.0 109.988 -179.093 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -53.45 -20.56 4.86 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.553 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -64.03 -59.52 4.37 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 118.069 -1.452 . . . . 0.0 108.281 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.668 HD21 HD23 ' A' ' 94' ' ' LEU . 3.1 mm? -58.57 -34.62 71.26 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.475 -0.765 . . . . 0.0 109.279 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -56.04 -46.73 78.77 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.691 -0.63 . . . . 0.0 110.322 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.633 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.8 t -68.84 -58.36 6.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 120.768 -1.208 . . . . 0.0 111.048 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -48.3 -46.48 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 120.256 -1.527 . . . . 0.0 108.211 -179.184 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' OE2' ' NZ ' ' A' ' 95' ' ' LYS . 1.5 mm-40 -58.93 -30.34 67.78 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 16' ' ' VAL . 15.6 mtpp -127.18 38.9 4.0 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.53 -0.731 . . . . 0.0 110.081 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.633 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.95 -22.04 66.93 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.256 -0.903 . . . . 0.0 110.371 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.19 -34.38 0.27 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.43 -0.794 . . . . 0.0 109.19 -178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.534 ' H ' ' C ' ' A' ' 20' ' ' ALA . 5.6 m120 -152.86 149.79 28.65 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.35 -0.844 . . . . 0.0 109.44 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.3 -15.72 0.42 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.913 . . . . 0.0 109.688 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -54.85 16.42 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.9 -1.125 . . . . 0.0 110.478 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.03 -15.73 62.65 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.844 -1.16 . . . . 0.0 110.114 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.547 HG23 ' CB ' ' A' ' 20' ' ' ALA . 11.1 t -69.93 -49.92 52.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -54.58 -38.41 66.68 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.831 0.824 . . . . 0.0 109.505 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -64.4 0.9 Allowed 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.803 -0.561 . . . . 0.0 110.17 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.436 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -49.83 -49.08 50.3 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.478 -0.764 . . . . 0.0 110.906 -178.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.554 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 47.0 mt -57.89 -37.9 74.82 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.789 -1.194 . . . . 0.0 109.478 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.0 m -62.26 -33.31 74.37 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.285 -1.51 . . . . 0.0 109.029 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -73.28 -37.36 66.29 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.623 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -57.34 -42.24 81.6 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.293 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.638 HH22 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -49.71 -51.02 41.66 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 177.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.46 -54.52 13.89 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.99 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.22 -26.1 68.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.111 -0.993 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.623 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -64.85 -66.8 0.5 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 110.896 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.26 -19.96 56.99 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.047 -1.061 . . . . 0.0 109.358 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -62.52 -40.18 95.94 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.04 -29.42 69.72 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -44.37 33.71 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -100.98 15.25 29.29 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 121.255 0.55 . . . . 0.0 109.719 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.82 63.12 0.11 Allowed 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.646 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.7 t80 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' ASP . 19.8 ttp180 -54.67 -45.74 73.95 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -28.76 7.81 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.07 -50.11 19.09 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 108.107 -1.997 . . . . 0.0 108.107 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -71.87 -35.93 69.95 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' ARG . 16.3 t0 -53.99 -39.8 66.37 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -178.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mm -66.73 -63.09 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.508 -0.745 . . . . 0.0 110.536 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.5 pp -52.99 -44.03 66.9 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.04 -1.038 . . . . 0.0 109.248 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -14.99 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 120.675 -1.266 . . . . 0.0 109.079 178.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.03 -60.94 4.89 Favored Glycine 0 N--CA 1.485 1.918 0 C-N-CA 119.818 -1.182 . . . . 0.0 111.59 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.595 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -70.06 -22.36 63.08 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.601 -1.529 . . . . 0.0 109.724 -178.599 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.726 HD11 HD13 ' A' ' 94' ' ' LEU . 40.6 mt -63.53 -59.78 3.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.984 -1.073 . . . . 0.0 108.294 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -57.23 -34.82 68.96 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -61.58 -20.74 63.65 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.206 -1.559 . . . . 0.0 107.808 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.1 -33.78 68.13 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 176.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 76' ' ' LEU . 4.4 tt -58.3 -39.17 78.63 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 177.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -63.12 -46.26 88.11 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 122.347 1.07 . . . . 0.0 109.476 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.6 mp -64.4 -54.85 26.31 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.436 ' HA ' ' H ' ' A' ' 83' ' ' LYS . . . -45.86 -32.61 2.71 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.063 -1.023 . . . . 0.0 109.799 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -63.19 -31.63 72.82 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 78' ' ' LEU . 2.5 tp10 -84.84 3.83 36.0 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.7 47.58 5.3 Favored Glycine 0 N--CA 1.496 2.658 0 O-C-N 121.178 -0.951 . . . . 0.0 111.029 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.436 ' H ' ' HA ' ' A' ' 79' ' ' ALA . 14.6 mmtp -102.0 68.78 1.14 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.119 -1.224 . . . . 0.0 110.013 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.0 t -63.83 -40.15 88.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 O-C-N 121.698 -0.626 . . . . 0.0 110.114 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -55.29 6.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.11 -0.994 . . . . 0.0 110.385 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.56 -40.98 96.66 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.611 -0.68 . . . . 0.0 110.065 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.32 -50.5 67.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.059 -1.026 . . . . 0.0 110.328 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.656 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 25.8 mt-30 -62.33 -39.77 94.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.904 -1.123 . . . . 0.0 108.893 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.98 92.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.844 -1.16 . . . . 0.0 108.04 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.61 -20.72 61.43 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.88 -52.65 55.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.664 -0.648 . . . . 0.0 109.565 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.89 -13.24 14.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.283 -0.886 . . . . 0.0 108.857 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.439 ' OE1' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.95 -40.04 61.0 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 178.589 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.726 HD13 HD11 ' A' ' 72' ' ' ILE . 39.6 tp -68.3 -45.02 74.14 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.278 -0.889 . . . . 0.0 109.126 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.424 ' NZ ' ' OE2' ' A' ' 18' ' ' GLU . 17.5 mttt -54.24 -66.61 0.37 Allowed 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.985 -1.072 . . . . 0.0 110.087 -179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -65.64 -23.42 66.8 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.124 -0.985 . . . . 0.0 110.662 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.439 ' OG1' ' OE1' ' A' ' 93' ' ' GLN . 1.5 m -50.03 -58.27 5.85 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.652 -1.28 . . . . 0.0 108.02 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.4 mp -55.92 -55.52 17.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.585 -0.697 . . . . 0.0 109.284 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.614 ' HE ' ' C ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -58.65 -50.87 72.26 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.67 -1.269 . . . . 0.0 110.638 -179.097 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.89 -31.02 71.28 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.853 -1.154 . . . . 0.0 109.624 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.485 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.0 m-30 -72.52 -4.09 28.48 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.1 t30 88.97 63.8 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 104.56 -2.385 . . . . 0.0 104.56 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 102' ' ' ASN . 7.6 mm-40 46.99 58.95 4.32 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 -175.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' ILE . 29.1 tptt 58.27 -80.75 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.22 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -144.37 5.34 1.25 Allowed 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.473 -1.392 . . . . 0.0 109.088 178.612 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 CA-C-O 117.937 -1.479 . . . . 0.0 109.591 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 120.791 0.329 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -75.96 -36.02 59.44 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.175 -1.578 . . . . 0.0 108.872 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.4 -39.75 61.29 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 178.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.1 m95 -59.58 -38.27 80.74 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 5' ' ' ASP . 36.0 tt0 -57.9 -43.54 86.19 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.516 -0.74 . . . . 0.0 109.328 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.493 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.7 m -57.1 -54.5 46.05 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.467 HD12 ' HB1' ' A' ' 36' ' ' ALA . 6.2 mp -65.13 -27.56 68.82 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 7' ' ' TRP . 48.0 t-20 -60.89 -65.19 0.73 Allowed 'General case' 0 C--N 1.292 -1.925 0 O-C-N 120.699 -1.251 . . . . 0.0 110.058 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.88 -19.3 6.28 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.875 -0.516 . . . . 0.0 109.874 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 9' ' ' THR . 11.2 m-80 -67.54 -57.96 5.55 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 117.748 -1.581 . . . . 0.0 108.469 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.7 mm? -57.16 -31.11 65.06 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.036 -1.04 . . . . 0.0 108.837 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -59.8 -48.53 81.3 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.692 -0.63 . . . . 0.0 110.557 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.5 t -68.49 -56.47 12.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 120.692 -1.255 . . . . 0.0 111.133 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.472 HD11 ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -49.2 -45.41 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 O-C-N 120.302 -1.499 . . . . 0.0 107.938 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 11.4 mm-40 -59.76 -27.58 66.65 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 16' ' ' VAL . 9.1 mtpp -127.8 34.17 4.68 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.548 -0.72 . . . . 0.0 110.327 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.629 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.67 -21.07 66.64 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.011 -1.055 . . . . 0.0 110.535 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 19' ' ' LYS . 0.9 OUTLIER 69.11 -32.45 0.22 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.635 -0.666 . . . . 0.0 109.531 -178.835 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.535 ' H ' ' C ' ' A' ' 20' ' ' ALA . 3.9 m120 -153.4 150.56 28.96 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.24 -0.913 . . . . 0.0 109.855 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.729 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -51.89 -13.84 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.93 . . . . 0.0 108.814 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' A' ' 22' ' ' ASN . . . -67.07 -61.12 2.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.231 -0.918 . . . . 0.0 110.113 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.417 ' OE1' ' O ' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -66.54 -10.5 45.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.889 -1.132 . . . . 0.0 110.292 -179.189 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.523 HG23 ' CB ' ' A' ' 20' ' ' ALA . 12.4 t -70.35 -58.87 4.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 120.859 -1.151 . . . . 0.0 108.165 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 14.4 ptmt -57.2 -31.01 65.02 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.569 -0.707 . . . . 0.0 109.84 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.24 -61.31 2.44 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.124 -0.985 . . . . 0.0 109.051 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.518 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -49.41 -43.84 44.77 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.303 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.536 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 14.8 mt -60.93 -37.27 81.72 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.837 -1.164 . . . . 0.0 110.172 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -62.86 -29.14 70.52 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.675 -1.266 . . . . 0.0 108.35 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -72.48 -39.29 67.82 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.696 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.2 mtm -57.67 -42.58 83.86 Favored 'General case' 0 C--O 1.199 -1.586 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.595 HH22 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -46.99 -47.27 22.0 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.899 -1.126 . . . . 0.0 108.081 178.792 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.1 -55.82 11.08 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.467 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -65.6 -19.05 65.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.433 -0.792 . . . . 0.0 109.884 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.696 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -65.41 -71.68 0.18 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.195 -0.941 . . . . 0.0 110.323 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.631 ' CD2' ' HE ' ' A' ' 62' ' ' ARG . 8.2 mt -64.16 -19.04 65.03 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.148 -1.021 . . . . 0.0 109.355 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -63.98 -40.89 97.41 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -59.0 -31.58 68.93 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -47.71 -40.17 19.56 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 177.618 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.659 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 36.2 mmtt -98.73 107.59 20.07 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . 80.58 73.42 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 122.132 0.967 . . . . 0.0 109.418 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.5 2.055 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.4 t80 . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.631 ' HE ' ' CD2' ' A' ' 38' ' ' LEU . 17.3 ttt180 -52.42 -36.11 53.55 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -51.32 -34.66 34.54 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.49 -48.66 42.74 Favored Glycine 0 N--CA 1.497 2.723 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 178.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -72.44 -43.32 63.96 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.393 -1.063 . . . . 0.0 108.27 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 62' ' ' ARG . 50.0 t0 -46.93 -44.01 19.5 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.3 mm -62.33 -66.34 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.363 -0.836 . . . . 0.0 109.245 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -37.02 70.39 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.165 -0.959 . . . . 0.0 109.504 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.415 HG22 ' HB1' ' A' ' 37' ' ' ALA . 54.7 t -68.19 -21.11 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 120.859 -1.151 . . . . 0.0 110.169 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.5 -48.91 21.49 Favored Glycine 0 N--CA 1.495 2.606 0 O-C-N 121.117 -0.989 . . . . 0.0 110.967 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.414 ' CD ' ' NE2' ' A' ' 93' ' ' GLN . 1.9 pt20 -71.57 -26.43 62.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.868 -1.372 . . . . 0.0 110.642 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.595 HG21 HH22 ' A' ' 34' ' ' ARG . 25.7 mt -60.55 -60.08 3.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 1.9 p30 -56.48 -32.0 64.58 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 48.1 t0 -61.95 -22.79 65.92 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 117.754 -1.579 . . . . 0.0 108.012 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.88 -34.86 72.03 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 105.777 -1.934 . . . . 0.0 105.777 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 76' ' ' LEU . 5.1 tt -59.32 -42.34 91.18 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 106.773 -1.565 . . . . 0.0 106.773 177.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -62.47 -45.95 90.7 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 122.257 1.027 . . . . 0.0 110.001 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.7 mp -63.49 -52.88 59.38 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.88 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.8 -42.47 17.13 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.031 -1.043 . . . . 0.0 109.42 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -61.76 -25.71 67.63 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 78' ' ' LEU . 66.2 tt0 -87.04 5.88 35.28 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.52 38.88 7.43 Favored Glycine 0 N--CA 1.497 2.723 0 O-C-N 121.378 -0.826 . . . . 0.0 111.392 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -100.28 68.96 1.45 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.936 -1.332 . . . . 0.0 109.808 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.729 HG22 ' HB2' ' A' ' 23' ' ' ALA . 64.7 t -63.53 -52.75 53.91 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 121.717 -0.614 . . . . 0.0 110.135 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.51 -49.69 21.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.22 -0.925 . . . . 0.0 110.405 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -57.08 -43.76 82.47 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.666 -0.646 . . . . 0.0 109.636 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.85 97.87 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.038 -1.039 . . . . 0.0 109.142 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.577 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 23.3 mt-30 -64.76 -39.24 93.28 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.236 -0.915 . . . . 0.0 108.629 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.26 96.04 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.17 -22.2 65.7 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.29 -53.33 50.57 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.231 -0.918 . . . . 0.0 109.02 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' A' ' 88' ' ' GLN . 2.2 mp0 -58.64 -15.74 13.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.889 -1.132 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.448 ' OE1' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.06 -37.86 64.12 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.456 HD23 HD21 ' A' ' 14' ' ' LEU . 20.9 tp -67.94 -41.2 82.89 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.885 0.85 . . . . 0.0 109.986 178.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -56.4 -65.67 0.57 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.711 -1.243 . . . . 0.0 109.296 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -65.6 -21.96 66.63 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.282 -0.886 . . . . 0.0 110.273 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.448 ' OG1' ' OE1' ' A' ' 93' ' ' GLN . 3.2 m -49.31 -57.93 5.96 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.577 -1.327 . . . . 0.0 108.328 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.42 HD12 ' H ' ' A' ' 98' ' ' ILE . 2.8 mp -58.76 -53.85 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.68 -0.637 . . . . 0.0 110.075 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -60.87 -50.14 74.62 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.688 -1.258 . . . . 0.0 110.777 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.0 -31.25 71.6 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.906 -1.121 . . . . 0.0 109.715 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.0 m-30 -72.09 -4.9 31.61 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.8 t30 88.7 66.11 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 -176.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 102' ' ' ASN . 6.5 mm-40 46.88 54.79 8.67 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 -176.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.2 tptp 60.06 -81.76 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 114.196 -1.365 . . . . 0.0 110.104 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.17 7.12 1.98 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.476 -1.39 . . . . 0.0 108.937 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 8' ' ' GLU . 1.5 p30 -76.13 -47.88 22.73 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.183 -0.948 . . . . 0.0 110.435 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -48.4 -38.74 20.35 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 179.211 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.491 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.0 m95 -59.82 -40.97 90.21 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 5' ' ' ASP . 30.9 tt0 -57.66 -44.05 85.4 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.487 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.3 m -55.92 -54.33 46.07 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.43 HD12 ' HB1' ' A' ' 36' ' ' ALA . 4.7 mp -65.09 -30.89 71.88 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 7' ' ' TRP . 46.3 t-20 -60.28 -64.71 0.86 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 120.927 -1.108 . . . . 0.0 109.814 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.41 -22.52 7.79 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.552 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 9' ' ' THR . 17.6 m-80 -70.56 -65.02 0.79 Allowed 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 118.485 -1.286 . . . . 0.0 108.735 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.1 mm? -53.54 -31.97 48.64 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.069 -1.019 . . . . 0.0 108.466 178.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -59.16 -50.95 72.08 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.419 0.628 . . . . 0.0 110.063 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.669 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.5 t -64.93 -52.62 51.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.059 -1.026 . . . . 0.0 110.455 -178.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -51.42 -49.78 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 119.987 -1.695 . . . . 0.0 107.485 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.51 -30.67 54.26 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -129.16 39.17 3.81 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.429 -0.795 . . . . 0.0 110.223 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.669 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -66.16 -24.76 66.71 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.053 -1.029 . . . . 0.0 110.962 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 70.08 -34.21 0.28 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.477 -0.764 . . . . 0.0 109.391 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.522 ' H ' ' C ' ' A' ' 20' ' ' ALA . 5.8 m120 -152.99 152.18 31.11 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.246 -0.909 . . . . 0.0 109.68 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.69 -17.81 1.5 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 109.681 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.74 -54.67 20.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.962 -1.086 . . . . 0.0 110.39 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.45 -16.48 63.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.848 -1.158 . . . . 0.0 109.995 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.554 HG23 ' CB ' ' A' ' 20' ' ' ALA . 5.5 t -70.04 -53.36 24.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 107.489 -1.301 . . . . 0.0 107.489 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -56.34 -36.45 68.77 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.716 0.769 . . . . 0.0 109.867 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 -62.82 1.49 Allowed 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.789 -0.57 . . . . 0.0 109.946 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.418 ' HB2' HG11 ' A' ' 16' ' ' VAL . . . -51.95 -45.73 64.49 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.631 -0.668 . . . . 0.0 111.161 -178.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.79 -34.33 72.89 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.934 -1.104 . . . . 0.0 110.175 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m -65.25 -32.74 74.56 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.703 -1.248 . . . . 0.0 108.473 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 5.3 mmtt -73.12 -38.07 66.46 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.65 ' O ' ' N ' ' A' ' 37' ' ' ALA . 12.3 mtp -57.22 -40.61 77.86 Favored 'General case' 0 C--O 1.202 -1.422 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.651 ' N ' ' NH1' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -49.18 -49.87 40.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.804 -1.185 . . . . 0.0 107.823 178.819 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.64 65.04 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.43 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -67.08 -19.52 65.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.557 -0.715 . . . . 0.0 109.908 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.65 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.82 -75.24 0.1 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.162 -0.961 . . . . 0.0 110.557 -178.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -20.68 66.05 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 118.947 -1.101 . . . . 0.0 110.051 -178.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -61.92 -42.38 99.02 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.42 -30.11 68.24 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -48.99 -38.2 22.55 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.272 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -84.72 -4.93 59.27 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.831 -0.543 . . . . 0.0 111.236 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.66 120.74 1.27 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.55 -1.344 . . . . 0.0 109.349 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.928 0 O-C-N 120.977 -1.077 . . . . 0.0 109.788 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.6 t80 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.584 ' O ' ' N ' ' A' ' 66' ' ' ASP . 12.4 ttp180 -54.94 -30.76 59.43 Favored 'General case' 0 C--O 1.203 -1.382 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -56.69 -38.78 72.74 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.77 -46.42 60.92 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -72.54 -42.69 64.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.532 -0.981 . . . . 0.0 109.03 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 62' ' ' ARG . 23.0 t0 -48.08 -43.51 30.69 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.63 -68.57 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 O-C-N 121.497 -0.752 . . . . 0.0 110.123 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.56 -36.74 62.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -0.935 . . . . 0.0 109.995 -178.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.1 t -67.61 -24.84 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.615 -1.303 . . . . 0.0 110.129 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.28 -44.96 63.1 Favored Glycine 0 N--CA 1.493 2.44 0 C-N-CA 120.276 -0.964 . . . . 0.0 110.708 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.63 ' CD ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -72.09 -23.55 61.36 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.822 -1.399 . . . . 0.0 110.206 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.545 HG21 HH22 ' A' ' 34' ' ' ARG . 18.6 mt -60.57 -61.25 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -59.17 -30.76 68.43 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.805 -0.559 . . . . 0.0 109.912 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.97 -24.71 68.02 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 117.637 -1.625 . . . . 0.0 108.811 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.83 -33.86 71.11 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 176.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.546 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 4.7 tt -58.21 -39.96 80.36 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 177.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -64.29 -49.64 71.03 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 122.215 1.007 . . . . 0.0 110.079 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.3 mp -62.98 -56.36 17.76 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.705 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.455 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -44.01 -35.81 2.23 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.196 -0.94 . . . . 0.0 110.103 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 2.7 m-20 -66.21 -29.23 69.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.881 -1.137 . . . . 0.0 107.998 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 78' ' ' LEU . 27.9 tt0 -84.91 7.57 20.57 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.0 39.13 7.59 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 121.324 -0.86 . . . . 0.0 111.838 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -101.42 59.52 0.88 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.841 -1.387 . . . . 0.0 109.837 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.1 t -58.77 -46.35 90.81 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 O-C-N 121.283 -0.886 . . . . 0.0 109.969 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -73.85 -56.13 5.35 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.195 -0.941 . . . . 0.0 110.193 -179.684 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.83 -40.91 76.91 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 121.75 -0.594 . . . . 0.0 109.547 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.1 97.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.035 -1.04 . . . . 0.0 108.83 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.608 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 22.9 mt-30 -64.73 -40.95 96.19 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.11 -0.994 . . . . 0.0 108.83 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.6 -40.19 82.56 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.14 -25.52 67.79 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -63.7 -44.44 93.64 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.06 -16.37 63.38 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.436 -0.79 . . . . 0.0 109.058 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.63 HE21 ' CD ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -74.72 -44.66 48.76 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.157 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.462 ' N ' ' HG3' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -70.77 -36.5 73.11 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 109.888 -179.617 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -57.59 -60.69 3.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.601 -1.312 . . . . 0.0 107.97 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 m -66.87 -24.74 66.16 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.433 -0.792 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 93' ' ' GLN . 19.9 m -48.55 -56.02 9.49 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.833 -1.167 . . . . 0.0 108.38 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.3 mp -57.93 -56.54 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -50.7 73.01 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.601 -1.312 . . . . 0.0 110.906 -179.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.88 -31.58 71.04 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.936 -1.103 . . . . 0.0 109.595 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.504 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.0 m-30 -72.04 -3.74 24.7 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.5 t30 88.46 65.32 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 -176.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 105' ' ' TYR . 7.9 mm-40 46.82 58.28 4.86 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -176.096 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 35.9 tptt 58.19 -77.81 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 114.55 -1.205 . . . . 0.0 109.416 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -143.84 9.32 1.52 Allowed 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.221 -1.549 . . . . 0.0 108.891 178.104 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 179.796 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 12.3 p-10 -75.85 -30.25 58.87 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.03 -1.044 . . . . 0.0 110.283 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.488 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -56.68 -43.0 80.02 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 178.584 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -56.82 -40.26 75.69 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -57.99 -43.72 86.75 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.528 -0.732 . . . . 0.0 109.246 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -55.4 -53.68 53.15 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.944 -1.098 . . . . 0.0 108.171 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.478 HD12 ' HB1' ' A' ' 36' ' ' ALA . 5.7 mp -64.98 -26.88 68.48 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.556 0.693 . . . . 0.0 109.37 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -59.24 -63.42 1.31 Allowed 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.487 -1.383 . . . . 0.0 110.1 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.23 -23.29 14.13 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -65.65 -57.59 7.74 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 117.539 -1.664 . . . . 0.0 107.934 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.521 HD21 HD23 ' A' ' 94' ' ' LEU . 4.2 mm? -56.01 -34.32 65.7 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.835 0.826 . . . . 0.0 108.841 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -57.13 -52.57 64.79 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.647 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.9 t -67.7 -50.27 62.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 120.655 -1.278 . . . . 0.0 111.523 -178.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -51.06 -51.33 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 119.744 -1.848 . . . . 0.0 108.135 -179.33 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -56.12 -26.89 51.82 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -127.61 33.32 4.84 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.483 -0.761 . . . . 0.0 109.967 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.647 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -65.21 -27.16 68.48 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.168 -0.958 . . . . 0.0 110.809 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 70.94 -34.51 0.3 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.528 -0.732 . . . . 0.0 109.204 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.518 ' H ' ' C ' ' A' ' 20' ' ' ALA . 3.7 m120 -152.48 150.77 29.97 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.421 -0.8 . . . . 0.0 109.169 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.02 -12.34 0.22 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.274 -0.891 . . . . 0.0 109.406 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 22' ' ' ASN . . . -67.97 -56.9 7.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.119 -0.988 . . . . 0.0 109.976 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.24 -12.57 57.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.056 -1.027 . . . . 0.0 110.176 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.521 HG23 ' CB ' ' A' ' 20' ' ' ALA . 6.5 t -72.07 -51.79 28.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -52.77 -35.44 56.49 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.238 1.018 . . . . 0.0 108.716 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.86 -61.0 2.91 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.466 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.97 -55.92 25.44 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.397 -0.815 . . . . 0.0 111.659 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.73 -31.97 59.03 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.002 -1.061 . . . . 0.0 110.18 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 m -65.9 -32.59 74.17 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.821 -1.174 . . . . 0.0 109.167 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -73.13 -35.67 66.56 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.654 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.4 mtt -58.36 -39.83 80.6 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.418 HH22 HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -51.9 -47.67 64.49 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.622 -1.299 . . . . 0.0 107.854 178.671 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -54.29 15.22 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.037 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.478 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -64.9 -18.12 64.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.464 -0.772 . . . . 0.0 109.521 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -67.82 -72.66 0.16 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.274 -0.891 . . . . 0.0 110.721 -178.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.19 -25.0 67.52 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 118.69 -1.204 . . . . 0.0 110.036 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.71 -37.9 88.33 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.09 -30.99 69.61 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.45 -40.38 50.45 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 178.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -91.47 8.69 35.2 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.596 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.52 92.28 0.62 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.04 -1.038 . . . . 0.0 108.555 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.917 0 O-C-N 121.259 -0.901 . . . . 0.0 108.637 -178.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 64' ' ' GLY . 18.8 t80 . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.635 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -51.83 -34.41 40.31 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 175.683 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -53.45 -34.54 58.28 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -68.98 -50.82 32.17 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 108.786 -1.726 . . . . 0.0 108.786 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -72.42 -46.85 53.23 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.511 -0.993 . . . . 0.0 108.879 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.635 ' N ' ' O ' ' A' ' 62' ' ' ARG . 32.8 t70 -46.5 -44.84 18.02 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.625 -0.672 . . . . 0.0 109.194 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.67 -65.96 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.367 -0.833 . . . . 0.0 109.456 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -56.4 -40.52 74.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.115 -0.991 . . . . 0.0 109.157 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.418 HG13 HH22 ' A' ' 34' ' ' ARG . 70.2 t -68.01 -21.36 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.966 -1.084 . . . . 0.0 110.0 178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.16 -50.58 12.12 Favored Glycine 0 N--CA 1.5 2.919 0 O-C-N 121.056 -1.027 . . . . 0.0 112.183 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.585 ' OE1' ' NE2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -71.63 -28.84 64.06 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.577 -1.543 . . . . 0.0 110.006 -178.525 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -58.74 -55.34 23.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.18 -0.95 . . . . 0.0 109.064 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.4 p30 -60.54 -37.5 81.43 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 26.2 t70 -60.05 -19.86 55.03 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 117.891 -1.524 . . . . 0.0 108.042 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.81 69.52 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 76' ' ' LEU . 4.2 tt -58.88 -41.53 87.32 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 177.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -61.9 -46.07 90.97 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 122.081 0.943 . . . . 0.0 109.435 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.5 mp -63.19 -52.04 63.94 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 121.711 -0.618 . . . . 0.0 109.575 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.404 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -47.69 -37.86 13.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.134 -0.979 . . . . 0.0 109.41 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -64.36 -26.22 68.38 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 78' ' ' LEU . 21.0 tp10 -85.44 6.06 28.41 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.99 37.23 9.38 Favored Glycine 0 N--CA 1.496 2.698 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.08 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -97.24 64.15 1.89 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.942 -1.328 . . . . 0.0 109.25 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.39 -53.29 50.86 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.016 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.581 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.79 -50.57 23.46 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.086 -1.009 . . . . 0.0 109.872 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.59 -45.84 81.17 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.71 98.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.058 -1.027 . . . . 0.0 108.739 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.564 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 21.4 mt-30 -63.88 -40.38 96.4 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.94 93.5 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.48 -23.56 66.98 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -63.07 -51.55 66.22 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.967 -1.083 . . . . 0.0 108.395 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -61.16 -13.13 15.57 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.179 -0.95 . . . . 0.0 110.564 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.585 ' NE2' ' OE1' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -78.42 -33.2 48.76 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 120.418 -1.426 . . . . 0.0 107.908 179.259 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.521 HD23 HD21 ' A' ' 14' ' ' LEU . 52.6 tp -67.66 -41.53 83.61 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.278 -0.889 . . . . 0.0 108.927 177.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -56.81 -68.65 0.2 Allowed 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.032 0.92 . . . . 0.0 109.658 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.6 m -63.49 -23.25 67.32 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.157 -0.965 . . . . 0.0 110.579 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.428 ' OG1' ' OE1' ' A' ' 93' ' ' GLN . 1.4 m -51.41 -65.27 0.58 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.449 -1.407 . . . . 0.0 108.449 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.9 mp -49.32 -50.09 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.099 -1.0 . . . . 0.0 109.675 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -61.47 -50.58 72.18 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.573 -1.329 . . . . 0.0 110.805 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.62 -30.46 71.37 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.78 -1.2 . . . . 0.0 110.186 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.8 m-30 -71.57 -7.13 45.77 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.2 t30 92.38 65.98 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 104.924 -2.25 . . . . 0.0 104.924 -176.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 102' ' ' ASN . 6.8 mm-40 45.75 53.02 9.14 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -176.431 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.9 tptt 62.19 -86.61 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 113.867 -1.515 . . . . 0.0 109.566 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.55 15.59 1.44 Allowed 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.415 -1.428 . . . . 0.0 108.942 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.395 0 CA-C-O 118.049 -1.417 . . . . 0.0 109.687 -179.409 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 120.941 0.4 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 8' ' ' GLU . 33.5 p-10 -76.21 -51.58 11.79 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.89 -1.131 . . . . 0.0 110.97 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.484 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -48.55 -39.19 22.63 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 179.495 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.495 ' O ' ' N ' ' A' ' 11' ' ' ASN . 3.5 m95 -59.29 -37.34 77.45 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 5' ' ' ASP . 49.4 tt0 -60.15 -49.26 78.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.432 -0.793 . . . . 0.0 108.984 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.6 m -53.51 -49.7 66.98 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.76 -30.52 71.61 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' TRP . 65.7 t30 -61.97 -66.8 0.48 Allowed 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.537 -1.352 . . . . 0.0 110.025 -178.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -51.28 -20.79 1.8 Allowed 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -68.96 -62.3 1.44 Allowed 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 118.092 -1.443 . . . . 0.0 108.38 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.6 mm? -55.84 -33.16 64.25 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.055 -1.028 . . . . 0.0 108.734 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -55.89 -51.58 67.09 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.733 -0.604 . . . . 0.0 110.664 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.638 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.6 t -65.36 -54.83 24.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.779 -1.201 . . . . 0.0 110.915 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.42 HD11 ' CE ' ' A' ' 33' ' ' MET . 0.2 OUTLIER -48.97 -49.82 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 120.195 -1.566 . . . . 0.0 108.571 -178.826 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.87 -23.86 54.97 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 16' ' ' VAL . 9.5 mtpp -129.53 33.47 4.48 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.466 -0.771 . . . . 0.0 110.391 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.69 -26.38 68.35 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.141 -0.974 . . . . 0.0 110.706 -178.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 69.29 -33.26 0.24 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.502 -0.749 . . . . 0.0 109.443 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.548 ' H ' ' C ' ' A' ' 20' ' ' ALA . 4.3 m120 -152.38 151.96 31.47 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.366 -0.834 . . . . 0.0 109.48 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.87 -18.79 1.43 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.283 -0.886 . . . . 0.0 109.699 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.28 -54.78 24.01 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.977 -1.077 . . . . 0.0 110.733 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 20' ' ' ALA . 1.6 mt-30 -65.11 -16.55 63.61 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.763 -1.211 . . . . 0.0 110.067 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.567 HG23 ' CB ' ' A' ' 20' ' ' ALA . 7.8 t -70.83 -49.91 47.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 120.823 -1.173 . . . . 0.0 107.892 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -56.37 -35.3 67.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.346 -0.846 . . . . 0.0 109.53 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.66 -62.42 1.67 Allowed 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.786 -0.571 . . . . 0.0 110.194 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.469 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -52.16 -47.9 65.2 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.511 -0.743 . . . . 0.0 111.335 -178.082 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.7 mt -59.27 -31.03 68.72 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.759 -1.213 . . . . 0.0 110.034 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.9 m -68.27 -34.25 75.84 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.566 -1.334 . . . . 0.0 108.441 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 5.8 mmtt -69.83 -36.31 75.49 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.665 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.8 mtt -55.44 -49.84 71.38 Favored 'General case' 0 C--O 1.202 -1.446 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.557 HH21 HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -41.2 -48.04 3.42 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.901 0.858 . . . . 0.0 108.925 179.117 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.26 -53.75 33.12 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.772 -0.771 . . . . 0.0 108.974 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.48 -19.1 65.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.458 -0.776 . . . . 0.0 110.291 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.665 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -64.05 -69.13 0.3 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.134 -0.978 . . . . 0.0 110.591 -178.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 4.8 mt -65.01 -24.06 67.4 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 118.827 -1.149 . . . . 0.0 110.027 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -60.66 -39.83 89.84 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.47 -27.51 69.18 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.41 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 5.3 tm0? -47.39 -37.45 11.37 Favored 'General case' 0 N--CA 1.503 2.215 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -90.62 -75.96 0.45 Allowed 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.756 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.82 102.35 10.76 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.16 -0.963 . . . . 0.0 109.559 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' A' ' 64' ' ' GLY . 8.8 t80 . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 66' ' ' ASP . 9.3 tmm_? -52.37 -30.65 29.89 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.794 -1.188 . . . . 0.0 107.794 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -57.15 -33.9 67.88 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -70.86 -52.48 14.57 Favored Glycine 0 N--CA 1.497 2.713 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.39 -37.61 83.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.181 -1.188 . . . . 0.0 108.144 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 62' ' ' ARG . 24.9 t70 -50.58 -43.57 56.54 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.32 -66.22 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.404 -0.81 . . . . 0.0 109.988 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 pp -54.31 -35.49 62.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.259 -0.901 . . . . 0.0 109.68 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.557 HG12 HH21 ' A' ' 34' ' ' ARG . 34.0 t -67.28 -21.82 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 120.496 -1.377 . . . . 0.0 109.47 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.74 -49.96 21.45 Favored Glycine 0 N--CA 1.495 2.626 0 O-C-N 121.222 -0.924 . . . . 0.0 111.123 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -19.41 64.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.636 -1.508 . . . . 0.0 109.63 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 73' ' ' ASP . 2.0 mt -61.04 -62.7 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.515 ' N ' HG22 ' A' ' 72' ' ' ILE . 2.8 p30 -61.22 -32.93 72.7 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.572 -0.705 . . . . 0.0 110.41 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -60.78 -23.85 65.32 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 117.494 -1.682 . . . . 0.0 108.802 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.15 -35.49 74.07 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.413 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 4.5 tt -57.3 -40.37 77.69 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 177.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.409 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 14.3 ttpp -62.88 -45.96 90.09 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 122.298 1.047 . . . . 0.0 109.754 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.593 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.9 mp -63.26 -58.35 7.44 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.604 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.82 -34.7 1.66 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.312 -0.868 . . . . 0.0 110.108 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 5.8 m-20 -65.99 -27.62 68.27 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.776 -1.203 . . . . 0.0 107.918 178.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 78' ' ' LEU . 61.9 tt0 -86.02 3.74 40.96 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.48 39.69 6.24 Favored Glycine 0 N--CA 1.497 2.739 0 O-C-N 121.192 -0.942 . . . . 0.0 111.53 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -98.81 61.88 1.32 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.907 -1.349 . . . . 0.0 109.365 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.7 t -59.75 -48.74 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.597 -0.689 . . . . 0.0 110.377 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -50.73 18.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.079 -1.013 . . . . 0.0 110.098 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.3 -42.32 98.46 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.593 -0.692 . . . . 0.0 109.719 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.04 -46.0 92.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.03 -1.044 . . . . 0.0 109.239 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.68 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 24.2 mt-30 -63.36 -39.56 94.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.106 -0.996 . . . . 0.0 108.358 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.08 94.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.133 -0.979 . . . . 0.0 108.405 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.54 -23.73 66.15 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.22 -49.31 72.47 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.15 -13.09 32.91 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -0.852 . . . . 0.0 109.101 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.589 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.52 -41.35 60.78 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 178.762 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 93' ' ' GLN . 0.2 OUTLIER -70.68 -38.8 73.76 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.059 -179.647 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -53.73 -66.47 0.39 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.72 -1.238 . . . . 0.0 108.688 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 m -67.99 -17.64 64.49 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.304 -0.873 . . . . 0.0 110.731 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.589 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 14.8 m -50.11 -58.98 4.38 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.439 -1.413 . . . . 0.0 107.462 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 104' ' ' LYS . 2.1 mp -58.44 -50.06 80.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.85 -0.531 . . . . 0.0 109.753 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -50.92 71.93 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.305 -1.497 . . . . 0.0 111.029 -178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -62.47 -34.09 76.13 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.992 -1.067 . . . . 0.0 110.573 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.531 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.3 m-30 -69.22 0.91 4.2 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.4 t30 88.77 59.31 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 104.984 -2.228 . . . . 0.0 104.984 -177.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 102' ' ' ASN . 5.7 mm-40 48.3 56.32 7.59 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 -175.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 98' ' ' ILE . 22.2 tptt 63.89 -72.06 0.06 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 113.469 -1.696 . . . . 0.0 109.924 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.461 ' O ' ' OXT' ' A' ' 106' ' ' GLY . 0.2 OUTLIER -145.31 -28.41 0.45 Allowed 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.006 -1.684 . . . . 0.0 110.085 178.72 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.461 ' OXT' ' O ' ' A' ' 105' ' ' TYR . . . . . . . . 0 N--CA 1.494 2.551 0 CA-C-O 117.709 -1.606 . . . . 0.0 110.747 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 121.225 0.536 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 8' ' ' GLU . 34.8 p-10 -77.32 -53.24 7.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.998 -1.064 . . . . 0.0 110.668 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.491 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -48.62 -36.8 16.58 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.6 m95 -59.49 -39.9 85.26 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 5' ' ' ASP . 26.9 tt0 -58.81 -47.29 85.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.58 -0.7 . . . . 0.0 109.335 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 m -54.4 -55.5 28.01 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.798 -1.189 . . . . 0.0 108.115 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp -65.22 -25.0 67.5 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.729 -0.607 . . . . 0.0 109.508 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 7' ' ' TRP . 49.8 t30 -60.57 -66.22 0.56 Allowed 'General case' 0 C--N 1.293 -1.859 0 O-C-N 120.628 -1.295 . . . . 0.0 110.436 -178.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.1 -19.87 5.66 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.866 -0.521 . . . . 0.0 109.731 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -65.72 -53.5 39.95 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 117.545 -1.662 . . . . 0.0 108.493 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.0 mm? -59.96 -32.85 71.21 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.939 -1.101 . . . . 0.0 108.851 178.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -57.75 -50.73 72.24 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.806 -0.559 . . . . 0.0 110.958 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.632 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.4 t -65.29 -53.47 40.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 O-C-N 120.419 -1.426 . . . . 0.0 110.477 -178.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -50.72 -47.59 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 120.132 -1.605 . . . . 0.0 107.858 -179.399 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.44 -31.99 64.49 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' VAL . 8.9 mtpp -127.28 42.07 3.39 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.632 -0.668 . . . . 0.0 109.609 -178.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.632 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.38 -30.23 71.27 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.267 -0.896 . . . . 0.0 110.589 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 71.28 -34.32 0.3 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.486 -0.759 . . . . 0.0 109.179 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.511 ' H ' ' C ' ' A' ' 20' ' ' ALA . 8.2 m120 -153.26 150.08 28.59 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.277 -0.889 . . . . 0.0 109.694 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.6 -20.6 3.13 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.303 -0.873 . . . . 0.0 109.822 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.25 -51.92 52.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.099 -1.001 . . . . 0.0 110.37 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.405 ' OE1' ' O ' ' A' ' 20' ' ' ALA . 1.9 mt-30 -65.98 -15.45 63.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.939 -1.101 . . . . 0.0 110.455 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.511 HG23 ' CB ' ' A' ' 20' ' ' ALA . 9.6 t -70.22 -53.53 22.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -52.14 -35.24 47.89 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.901 0.858 . . . . 0.0 109.097 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.66 -62.13 2.1 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.454 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -54.58 -49.72 69.72 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.539 -0.725 . . . . 0.0 110.911 -178.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.19 -32.19 68.01 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.866 -1.146 . . . . 0.0 109.89 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 m -67.25 -34.14 76.81 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.952 -1.093 . . . . 0.0 108.938 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 6.2 mmtt -71.62 -37.97 70.83 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.703 ' O ' ' N ' ' A' ' 37' ' ' ALA . 5.1 mtt -55.66 -42.81 75.6 Favored 'General case' 0 C--O 1.199 -1.601 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 178.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.566 HH21 HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.63 -51.06 22.72 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.852 -1.155 . . . . 0.0 108.228 178.74 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.72 -53.73 17.1 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.549 0.69 . . . . 0.0 109.335 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.46 -21.31 66.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.422 -0.799 . . . . 0.0 109.819 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.703 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -65.06 -70.03 0.26 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.251 -0.905 . . . . 0.0 110.364 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' GLN . 6.4 mt -63.04 -25.02 68.19 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 118.961 -1.096 . . . . 0.0 108.923 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.77 -36.17 76.12 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 105.148 -2.167 . . . . 0.0 105.148 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 37' ' ' ALA . . . -63.12 -28.42 70.05 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 176.355 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' LEU . 8.7 tm0? -50.31 -24.5 2.99 Favored 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 177.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.3 mtpt -114.86 139.35 49.84 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . 63.3 97.5 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.966 -1.083 . . . . 0.0 109.981 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 40' ' ' ALA . 15.7 p . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.318 -0.864 . . . . 0.0 109.341 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.2 t80 . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 66' ' ' ASP . 3.2 tmt_? -51.75 -35.11 42.2 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 177.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -54.17 -40.75 67.79 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.116 -0.99 . . . . 0.0 108.466 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.58 -47.16 80.22 Favored Glycine 0 N--CA 1.497 2.728 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -68.75 -35.5 77.17 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 62' ' ' ARG . 22.8 t70 -51.28 -47.61 62.47 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -177.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mt -64.17 -63.05 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.189 -0.944 . . . . 0.0 109.893 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.511 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -53.34 -39.0 63.76 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.248 -0.907 . . . . 0.0 109.336 -178.833 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.703 ' HA ' HD12 ' A' ' 72' ' ' ILE . 34.1 t -68.23 -22.11 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.755 -1.215 . . . . 0.0 109.932 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.0 -52.64 13.2 Favored Glycine 0 N--CA 1.498 2.796 0 O-C-N 121.006 -1.058 . . . . 0.0 111.745 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.43 HE21 ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -66.67 -20.66 66.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.764 -1.433 . . . . 0.0 109.559 -178.847 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 69' ' ' VAL . 19.1 mt -60.16 -63.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 76' ' ' LEU . 2.2 p30 -59.88 -34.88 73.76 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.478 -0.764 . . . . 0.0 110.099 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.447 ' O ' ' OD1' ' A' ' 74' ' ' ASP . 31.5 t0 -60.17 -20.42 58.45 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 119.906 -1.746 . . . . 0.0 107.931 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.29 -34.86 68.48 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 176.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.488 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.0 tt -57.48 -39.25 75.99 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -63.2 -46.2 88.17 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.248 1.023 . . . . 0.0 109.711 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.7 mp -65.4 -55.43 18.14 Favored 'General case' 0 C--N 1.29 -1.993 0 O-C-N 121.779 -0.576 . . . . 0.0 109.981 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.467 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -45.27 -37.73 4.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.052 -1.03 . . . . 0.0 110.005 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.4 m-20 -64.86 -27.93 69.2 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 178.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 78' ' ' LEU . 28.7 tt0 -85.09 6.1 26.93 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.85 41.06 7.34 Favored Glycine 0 N--CA 1.497 2.742 0 O-C-N 121.134 -0.979 . . . . 0.0 111.136 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 20.0 mmtp -100.11 54.53 0.91 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.965 -1.315 . . . . 0.0 109.8 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 t -59.29 -39.87 79.94 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 O-C-N 121.522 -0.736 . . . . 0.0 109.334 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -52.29 10.14 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.165 -0.96 . . . . 0.0 109.895 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.15 -41.21 99.23 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -60.26 -46.03 91.24 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 0.0 109.296 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.687 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 24.8 mt-30 -64.2 -38.69 91.94 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.044 -1.035 . . . . 0.0 108.328 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.03 96.33 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.96 -22.88 64.88 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -63.59 -47.52 81.14 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -63.0 -13.69 38.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.413 -0.805 . . . . 0.0 109.301 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.547 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -77.81 -43.22 31.18 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 179.374 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.518 HD13 HD11 ' A' ' 72' ' ' ILE . 60.1 tp -68.81 -41.32 78.82 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.375 -0.828 . . . . 0.0 109.607 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -56.24 -72.39 0.08 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.407 -0.808 . . . . 0.0 110.608 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -20.52 66.19 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.082 -1.011 . . . . 0.0 110.675 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.547 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.1 m -49.88 -58.87 4.54 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.583 -1.323 . . . . 0.0 107.696 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.551 HG23 ' HB2' ' A' ' 104' ' ' LYS . 2.3 mp -56.5 -51.65 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 121.538 -0.726 . . . . 0.0 109.049 178.479 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -59.32 -51.12 71.28 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.627 -1.295 . . . . 0.0 110.699 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.24 -28.47 70.05 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.012 -1.055 . . . . 0.0 110.032 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.3 m-30 -71.59 -2.26 16.43 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.6 t30 89.56 61.03 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -177.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' ASN . 6.4 mm-40 48.35 55.85 8.29 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 -176.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.551 ' HB2' HG23 ' A' ' 98' ' ' ILE . 26.2 tptt 61.44 -83.73 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 113.609 -1.632 . . . . 0.0 108.941 -178.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.88 10.14 0.91 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.264 -1.523 . . . . 0.0 109.14 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.024 0 CA-C-O 117.882 -1.51 . . . . 0.0 109.773 -179.144 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -77.21 -28.51 53.85 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -59.02 -41.49 87.88 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 105.72 -1.955 . . . . 0.0 105.72 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.4 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.2 m95 -59.88 -37.19 78.64 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.805 -1.088 . . . . 0.0 109.064 178.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -56.93 -44.78 82.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.36 -0.838 . . . . 0.0 109.62 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.465 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.0 m -54.72 -52.91 61.0 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 178.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.43 -26.84 68.14 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.65 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' TRP . 52.9 t-20 -61.01 -66.3 0.56 Allowed 'General case' 0 C--N 1.29 -1.995 0 O-C-N 120.37 -1.456 . . . . 0.0 110.133 -178.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.04 -19.92 5.59 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.795 -0.566 . . . . 0.0 110.02 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 9' ' ' THR . 8.0 m-80 -65.28 -58.13 6.72 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 117.96 -1.496 . . . . 0.0 108.987 -178.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.593 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.3 mm? -58.58 -32.46 68.97 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.021 -1.049 . . . . 0.0 108.584 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -59.03 -47.12 86.37 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.809 -0.557 . . . . 0.0 109.878 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.611 ' O ' ' N ' ' A' ' 20' ' ' ALA . 21.8 t -68.33 -56.21 13.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 120.792 -1.193 . . . . 0.0 111.077 -178.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.661 HD11 ' CE ' ' A' ' 33' ' ' MET . 0.1 OUTLIER -50.36 -46.25 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.391 0 O-C-N 119.859 -1.776 . . . . 0.0 107.766 -179.587 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 5.6 mm-40 -56.16 -28.04 56.54 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 16' ' ' VAL . 12.1 mtpt -127.76 34.92 4.56 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.661 -0.65 . . . . 0.0 110.235 -178.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.611 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.1 -18.93 64.88 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.063 -1.023 . . . . 0.0 110.373 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 67.16 -36.15 0.27 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.594 -0.691 . . . . 0.0 109.857 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.537 ' H ' ' C ' ' A' ' 20' ' ' ALA . 10.0 m120 -149.78 149.39 30.46 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.17 -0.956 . . . . 0.0 109.634 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.45 -17.92 2.32 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.422 -0.799 . . . . 0.0 110.005 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.91 -52.52 42.28 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.824 -1.172 . . . . 0.0 109.951 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 20' ' ' ALA . 1.4 mt-30 -65.69 -18.18 65.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.996 -1.065 . . . . 0.0 110.068 -179.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.478 HG23 ' CB ' ' A' ' 20' ' ' ALA . 20.6 t -67.36 -47.63 80.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -55.12 -45.62 75.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.36 -0.837 . . . . 0.0 109.535 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -60.42 -64.43 0.95 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.221 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' ASP . . . -40.12 -53.75 2.39 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.146 0.498 . . . . 0.0 111.189 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.12 -36.61 77.86 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.964 -1.085 . . . . 0.0 109.792 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.7 m -63.92 -29.19 70.38 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.763 -1.211 . . . . 0.0 108.039 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' ASP . 7.7 mmtt -71.72 -40.21 69.61 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 177.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.688 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.0 mtm -57.99 -47.99 81.36 Favored 'General case' 0 C--O 1.2 -1.532 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -39.22 -50.0 1.91 Allowed 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.839 0.828 . . . . 0.0 108.902 179.089 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -51.46 58.65 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.24 -20.25 65.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.22 -0.925 . . . . 0.0 109.343 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.688 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.71 -71.18 0.21 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.461 -0.775 . . . . 0.0 110.479 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.19 -18.31 63.35 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 118.944 -1.102 . . . . 0.0 109.217 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -63.16 -41.53 99.27 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.86 -29.27 69.43 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.59 -36.73 16.26 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 106.957 -1.498 . . . . 0.0 106.957 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -84.58 -76.98 0.29 Allowed 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.28 103.24 14.69 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.042 -1.036 . . . . 0.0 109.808 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.934 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.2 t80 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 66' ' ' ASP . 3.4 ttm180 -55.18 -34.95 64.31 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 176.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 62' ' ' ARG . 73.3 t60 -49.77 -31.25 11.11 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.34 -54.39 11.01 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 108.773 -1.731 . . . . 0.0 108.773 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' ASP . 4.3 m-85 -70.07 -44.29 69.42 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.147 -1.208 . . . . 0.0 108.773 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 62' ' ' ARG . 10.5 t70 -42.17 -41.51 2.7 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.476 0.655 . . . . 0.0 109.277 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mm -67.36 -62.32 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 O-C-N 121.208 -0.932 . . . . 0.0 110.513 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.0 pp -57.33 -46.88 82.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.835 -1.166 . . . . 0.0 110.956 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.481 ' HA ' HD12 ' A' ' 72' ' ' ILE . 9.2 m -62.77 -18.58 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.126 -1.609 . . . . 0.0 109.76 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.43 -44.11 75.01 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.677 ' CD ' HE22 ' A' ' 93' ' ' GLN . 7.3 pt20 -71.69 -28.05 63.45 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.72 -1.459 . . . . 0.0 109.73 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.739 HD11 HD13 ' A' ' 94' ' ' LEU . 78.0 mt -60.43 -54.75 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.51 -35.92 73.0 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.56 -23.58 64.74 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 117.552 -1.659 . . . . 0.0 108.839 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.67 -32.59 68.03 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 177.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 76' ' ' LEU . 4.4 tt -59.73 -37.9 80.19 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 177.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.427 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 14.1 ttpp -64.7 -46.24 83.21 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 122.32 1.057 . . . . 0.0 110.02 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.636 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.4 mp -62.83 -61.02 2.69 Favored 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.787 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.419 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -42.96 -31.72 0.55 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.171 -0.956 . . . . 0.0 110.169 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 8.6 m-20 -66.09 -29.34 69.65 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.636 ' N ' ' O ' ' A' ' 78' ' ' LEU . 27.1 tp10 -84.38 0.43 49.38 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.19 45.23 5.11 Favored Glycine 0 N--CA 1.498 2.786 0 O-C-N 120.947 -1.096 . . . . 0.0 111.614 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 17.9 mmtt -101.5 70.61 1.3 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.984 -1.303 . . . . 0.0 108.951 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.62 -55.39 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.423 -0.798 . . . . 0.0 111.234 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -48.92 41.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.822 -1.174 . . . . 0.0 109.999 -178.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.37 -44.03 95.99 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.469 -0.769 . . . . 0.0 109.938 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -63.6 -42.8 98.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.882 -1.136 . . . . 0.0 108.869 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.504 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 27.8 mt-30 -65.4 -41.41 93.69 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.42 83.5 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.14 -30.27 71.18 Favored 'General case' 0 C--O 1.205 -1.262 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -62.7 -38.94 92.42 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.83 -1.169 . . . . 0.0 108.355 178.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -69.81 -16.73 63.33 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.797 -1.19 . . . . 0.0 110.796 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.677 HE22 ' CD ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -76.89 -30.3 56.13 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 179.157 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.739 HD13 HD11 ' A' ' 72' ' ' ILE . 28.4 tp -68.33 -42.82 78.75 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.956 0.884 . . . . 0.0 108.916 177.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -55.41 -68.89 0.16 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.388 -0.82 . . . . 0.0 109.578 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -16.99 64.72 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.274 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 93' ' ' GLN . 1.4 m -52.08 -58.51 6.34 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.154 -1.591 . . . . 0.0 107.634 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.606 HG23 ' HB2' ' A' ' 104' ' ' LYS . 2.6 mp -58.21 -49.28 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.151 -0.968 . . . . 0.0 108.734 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -60.74 -49.14 78.7 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 120.668 -1.27 . . . . 0.0 110.778 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.468 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -64.94 -32.96 74.93 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.008 -1.058 . . . . 0.0 110.633 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.466 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.0 m-30 -68.1 -2.5 7.98 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.468 ' H ' ' C ' ' A' ' 100' ' ' ALA . 1.7 t30 89.16 68.25 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 104.476 -2.416 . . . . 0.0 104.476 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 102' ' ' ASN . 5.9 mm-40 42.95 55.65 4.35 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.606 ' HB2' HG23 ' A' ' 98' ' ' ILE . 4.3 tptp 62.15 -88.5 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 114.058 -1.428 . . . . 0.0 109.554 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.1 17.4 1.92 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.453 -1.405 . . . . 0.0 109.502 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.478 -179.491 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.096 0.474 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 8' ' ' GLU . 26.1 t0 -77.41 -44.58 28.7 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.83 -1.169 . . . . 0.0 110.529 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -51.66 -38.35 54.51 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 179.169 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.7 m95 -60.27 -35.99 76.8 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 177.303 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 5' ' ' ASP . 31.9 tt0 -58.95 -49.92 76.01 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.431 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 6.1 m -53.44 -52.66 58.74 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.42 -26.6 68.58 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.441 0.639 . . . . 0.0 109.523 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 7' ' ' TRP . 41.1 t-20 -64.42 -67.11 0.46 Allowed 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.693 -1.255 . . . . 0.0 109.947 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -52.95 -17.69 1.56 Allowed 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.676 -179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 9' ' ' THR . 7.2 m-80 -66.87 -58.69 4.51 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 117.819 -1.552 . . . . 0.0 108.18 -179.027 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.574 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.7 mm? -57.41 -35.6 70.26 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.066 -1.021 . . . . 0.0 108.888 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -52.8 -51.34 61.15 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.7 -0.625 . . . . 0.0 110.896 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.622 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.3 t -66.38 -53.49 35.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 O-C-N 120.695 -1.253 . . . . 0.0 110.95 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.29 -51.59 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.154 -1.591 . . . . 0.0 108.665 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -57.09 -20.33 24.73 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.108 -1.037 . . . . 0.0 108.282 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 16' ' ' VAL . 19.4 mtpt -129.56 31.44 4.78 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.428 -0.795 . . . . 0.0 110.359 -179.063 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.622 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -63.53 -25.2 68.14 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.912 -1.118 . . . . 0.0 110.682 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 69.5 -31.92 0.22 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.489 -0.757 . . . . 0.0 109.664 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' A' ' 20' ' ' ALA . 4.4 m120 -152.74 152.15 31.34 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.069 -1.019 . . . . 0.0 109.79 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.12 -18.02 1.3 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.247 -0.908 . . . . 0.0 109.264 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -58.9 4.3 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.135 -0.978 . . . . 0.0 110.376 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' OE1' ' O ' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -66.6 -11.46 53.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.831 -1.168 . . . . 0.0 110.513 -178.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.539 HG23 ' CB ' ' A' ' 20' ' ' ALA . 4.0 t -69.96 -60.4 2.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 120.875 -1.14 . . . . 0.0 108.261 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -58.25 -29.0 65.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.398 -0.814 . . . . 0.0 110.126 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -61.37 -60.69 3.34 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.942 -1.099 . . . . 0.0 108.592 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.486 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -51.32 -42.87 61.51 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.491 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.57 -35.96 79.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.765 -1.209 . . . . 0.0 110.03 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.6 m -63.46 -29.58 70.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.702 -1.249 . . . . 0.0 108.158 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -73.43 -38.74 65.44 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.658 ' O ' ' N ' ' A' ' 37' ' ' ALA . 2.4 mtt -58.17 -42.05 85.2 Favored 'General case' 0 C--O 1.202 -1.421 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.459 HH12 HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.88 -46.46 31.56 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 178.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.67 -52.23 40.41 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.41 -20.76 66.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.43 -0.794 . . . . 0.0 109.69 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.658 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.6 -73.1 0.14 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.885 . . . . 0.0 110.797 -178.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 5.8 mt -63.53 -26.81 68.88 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.619 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.11 -39.13 85.13 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 44' ' ' THR . . . -60.31 -31.73 70.54 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.431 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -45.98 -39.3 8.8 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.835 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -92.14 7.88 40.46 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.535 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.06 107.11 0.94 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 40' ' ' ALA . 72.3 p . . . . . 0 N--CA 1.487 1.381 0 O-C-N 121.419 -0.801 . . . . 0.0 109.762 -177.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.3 t80 . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.577 ' O ' ' N ' ' A' ' 66' ' ' ASP . 20.7 ttp180 -55.41 -37.55 67.76 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 176.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -51.14 -41.96 60.44 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.15 -44.27 77.16 Favored Glycine 0 N--CA 1.501 3.027 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -70.15 -37.87 75.35 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 62' ' ' ARG . 16.8 t70 -49.09 -40.78 33.25 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 mt -66.35 -64.97 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.293 -0.879 . . . . 0.0 109.3 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 pp -55.59 -41.32 73.24 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.657 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.459 HG12 HH12 ' A' ' 34' ' ' ARG . 66.0 t -67.06 -24.98 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 120.892 -1.13 . . . . 0.0 110.155 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.65 -45.18 36.82 Favored Glycine 0 N--CA 1.495 2.586 0 O-C-N 121.125 -0.984 . . . . 0.0 111.396 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.557 ' OE1' ' NE2' ' A' ' 93' ' ' GLN . 9.9 pt20 -70.6 -28.48 64.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.762 -1.434 . . . . 0.0 110.539 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.534 HD11 HD13 ' A' ' 94' ' ' LEU . 71.2 mt -60.3 -55.46 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 76' ' ' LEU . 23.9 t0 -58.08 -40.1 80.2 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.492 -0.755 . . . . 0.0 109.002 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.93 -20.56 24.17 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 117.473 -1.691 . . . . 0.0 108.408 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.01 -35.23 69.38 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 73' ' ' ASP . 7.1 tt -58.27 -39.5 79.39 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -63.73 -45.5 89.6 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 122.337 1.065 . . . . 0.0 109.865 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.548 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.1 mp -62.88 -57.86 9.37 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.495 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HA ' ' H ' ' A' ' 83' ' ' LYS . . . -46.72 -37.82 9.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.177 -0.952 . . . . 0.0 109.797 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.449 HD22 HD23 ' A' ' 76' ' ' LEU . 8.8 m-20 -59.96 -27.65 66.99 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 78' ' ' LEU . 71.7 tt0 -86.65 3.39 44.81 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.3 37.94 7.99 Favored Glycine 0 N--CA 1.495 2.611 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.385 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.435 ' H ' ' HA ' ' A' ' 79' ' ' ALA . 11.0 mmpt? -95.66 65.84 2.67 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.817 -1.402 . . . . 0.0 109.615 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.57 -44.27 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.261 -0.9 . . . . 0.0 110.497 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.412 ' H ' ' HG3' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -73.19 -54.07 9.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.224 -0.922 . . . . 0.0 110.177 -179.099 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -42.07 91.74 Favored 'General case' 0 C--N 1.29 -1.998 0 O-C-N 121.764 -0.585 . . . . 0.0 109.637 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.34 92.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.004 -1.06 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.687 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 33.9 mt-30 -65.13 -47.01 78.62 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.232 -0.917 . . . . 0.0 108.751 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.19 97.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.093 -1.004 . . . . 0.0 108.489 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.02 -25.69 67.08 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -62.16 -42.72 99.54 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -65.62 -12.66 55.22 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.57 -0.706 . . . . 0.0 109.76 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.557 ' NE2' ' OE1' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -78.23 -33.02 50.09 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 178.626 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.534 HD13 HD11 ' A' ' 72' ' ' ILE . 21.5 tp -67.42 -47.34 70.52 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -54.6 -67.7 0.25 Allowed 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 121.705 0.764 . . . . 0.0 110.029 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.4 m -62.83 -29.25 70.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.24 -0.912 . . . . 0.0 110.56 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 93' ' ' GLN . 1.3 m -49.95 -55.64 13.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.813 -1.179 . . . . 0.0 108.676 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.76 -56.05 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.356 -0.84 . . . . 0.0 109.072 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -56.04 -50.93 69.55 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.527 -1.358 . . . . 0.0 110.686 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.443 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -61.1 -30.36 70.31 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.844 -1.16 . . . . 0.0 109.279 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.573 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 3.3 m-30 -77.5 18.47 0.43 Allowed 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASN . . . . . 0.573 ' ND2' ' O ' ' A' ' 101' ' ' TYR . 1.6 m-80 74.52 58.85 0.07 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -178.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.484 ' C ' ' O ' ' A' ' 102' ' ' ASN . 5.1 mm-40 47.36 54.56 9.38 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 105.085 -2.191 . . . . 0.0 105.085 -175.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 101' ' ' TYR . 32.6 tptt 66.1 -70.72 0.1 Allowed 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 113.498 -1.683 . . . . 0.0 109.277 -177.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.17 27.59 0.68 Allowed 'General case' 0 C--N 1.292 -1.918 0 O-C-N 119.758 -1.839 . . . . 0.0 107.634 177.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 CA-C-O 118.016 -1.435 . . . . 0.0 109.6 -179.048 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.639 0.733 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.505 ' CG ' ' H ' ' A' ' 3' ' ' LEU . 28.0 t0 -81.02 -159.13 0.23 Allowed 'General case' 0 N--CA 1.494 1.775 0 CA-C-O 121.615 0.721 . . . . 0.0 110.302 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.505 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 4.4 mm? -48.38 -34.22 10.41 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.687 -0.633 . . . . 0.0 109.976 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.31 -28.33 62.98 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.306 -0.871 . . . . 0.0 109.932 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 8' ' ' GLU . 13.7 t0 -75.13 -40.93 59.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.087 -1.008 . . . . 0.0 110.648 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -49.87 -40.6 43.16 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 179.143 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -60.25 -39.56 87.19 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 5' ' ' ASP . 35.7 tt0 -59.76 -49.4 77.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.599 -0.688 . . . . 0.0 109.409 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.4 m -51.79 -50.37 60.87 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -27.99 69.57 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.281 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.401 ' C ' ' N ' ' A' ' 13' ' ' ASN . 61.8 t30 -63.95 -67.78 0.4 Allowed 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.454 -1.404 . . . . 0.0 110.08 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.17 -19.76 0.85 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 11' ' ' ASN . 6.1 m-80 -68.65 -61.71 1.7 Allowed 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 117.987 -1.485 . . . . 0.0 108.27 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.533 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.2 mm? -53.57 -33.81 56.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.05 -1.031 . . . . 0.0 108.689 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -58.48 -51.13 71.16 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.579 -0.7 . . . . 0.0 110.691 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.654 ' O ' ' N ' ' A' ' 20' ' ' ALA . 38.4 t -67.54 -56.01 14.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.851 -1.156 . . . . 0.0 111.255 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -50.29 -44.32 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.417 0 O-C-N 120.043 -1.661 . . . . 0.0 107.472 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 4.7 mm-40 -59.63 -32.96 70.91 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' VAL . 13.7 mtpp -125.09 36.16 4.64 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.492 -0.755 . . . . 0.0 110.038 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.5 -19.12 65.39 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.291 -0.881 . . . . 0.0 110.14 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 19' ' ' LYS . 1.5 m-20 66.42 -32.95 0.18 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.517 -0.74 . . . . 0.0 109.604 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.575 ' H ' ' C ' ' A' ' 20' ' ' ALA . 5.0 m120 -152.97 152.13 31.08 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.171 -0.955 . . . . 0.0 109.438 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.8 -14.78 0.4 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.935 . . . . 0.0 109.759 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.99 -57.58 5.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.008 -1.058 . . . . 0.0 110.503 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -65.02 -13.52 58.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.838 -1.164 . . . . 0.0 110.067 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.529 HG23 ' CB ' ' A' ' 20' ' ' ALA . 18.7 t -70.81 -51.64 34.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -55.15 -37.45 66.98 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.844 0.831 . . . . 0.0 109.177 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.87 -62.8 1.59 Allowed 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.89 -49.83 48.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.659 -0.651 . . . . 0.0 110.812 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.3 mt -58.94 -35.69 73.53 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.029 -1.044 . . . . 0.0 110.048 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.3 m -64.15 -30.39 71.46 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.89 -1.131 . . . . 0.0 108.879 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 5.4 mmtt -73.78 -42.13 61.45 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.681 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -54.4 -39.0 66.86 Favored 'General case' 0 C--O 1.2 -1.525 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.574 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.427 HH21 ' HB3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -51.31 -48.71 62.27 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 177.733 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.58 -54.02 23.34 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -22.4 66.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.398 -0.814 . . . . 0.0 109.672 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.82 -73.93 0.12 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.247 -0.908 . . . . 0.0 110.891 -178.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 8.7 mt -62.63 -23.89 67.31 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.289 -0.964 . . . . 0.0 109.482 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.24 -39.64 91.05 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.94 -25.79 67.8 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -47.08 -40.94 16.2 Favored 'General case' 0 N--CA 1.505 2.31 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 178.297 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -111.84 25.62 11.44 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.353 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -166.13 68.02 0.11 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.975 -1.078 . . . . 0.0 108.644 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.526 HG23 ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -123.59 154.49 66.53 Favored Pre-proline 0 N--CA 1.497 1.884 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -178.7 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -33.1 -40.32 0.12 Allowed 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 122.454 2.102 . . . . 0.0 114.422 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' A' ' 48' ' ' LEU . 17.1 Cg_endo -96.77 2.41 1.82 Allowed 'Trans proline' 0 C--N 1.317 -1.115 0 C-N-CA 122.712 2.275 . . . . 0.0 111.893 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.656 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 41.95 19.65 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.668 -0.645 . . . . 0.0 109.965 -179.413 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.608 HD23 ' CD1' ' A' ' 61' ' ' PHE . 1.5 tm? 43.2 -84.2 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -178.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.656 ' N ' ' O ' ' A' ' 47' ' ' LYS . 21.4 mp0 -63.54 102.4 0.43 Allowed 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.811 -1.18 . . . . 0.0 108.344 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -90.94 -3.79 57.02 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.699 ' CG ' ' H ' ' A' ' 52' ' ' SER . 4.9 pttp -165.67 -74.51 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.699 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 3.7 m -175.41 61.8 0.22 Allowed Pre-proline 0 C--N 1.307 -1.267 0 O-C-N 121.226 -0.921 . . . . 0.0 109.135 178.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 52' ' ' SER . 50.2 Cg_exo -51.7 -69.2 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.176 1.917 . . . . 0.0 111.584 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 55' ' ' SER . 39.0 m-20 -138.7 -58.84 0.62 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 60.4 p 115.17 -43.67 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.578 0 C-N-CA 123.761 0.824 . . . . 0.0 111.377 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.497 ' C ' ' H ' ' A' ' 58' ' ' MET . 6.1 Cg_exo -79.99 -39.67 0.27 Allowed 'Trans proline' 0 N--CA 1.489 1.212 0 CA-C-N 121.337 1.513 . . . . 0.0 109.72 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.76 -1.0 0.12 Allowed 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.497 ' H ' ' C ' ' A' ' 56' ' ' PRO . 3.1 ttp -67.18 -57.82 6.02 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.94 -1.1 . . . . 0.0 109.24 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 10.9 tptt -52.23 -35.0 48.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.131 -1.606 . . . . 0.0 108.71 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 63' ' ' HIS . 2.0 m-20 -57.15 -37.83 72.63 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.608 ' CD1' HD23 ' A' ' 48' ' ' LEU . 37.2 t80 -55.51 -34.7 64.87 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.618 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -54.81 -36.71 65.26 Favored 'General case' 0 C--O 1.2 -1.516 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 176.571 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' ASP . 17.8 t60 -51.05 -43.58 60.96 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.66 -49.62 54.3 Favored Glycine 0 N--CA 1.5 2.916 0 N-CA-C 108.894 -1.682 . . . . 0.0 108.894 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.95 -33.33 75.58 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.618 ' N ' ' O ' ' A' ' 62' ' ' ARG . 9.9 t0 -56.08 -37.15 68.95 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.4 mt -65.43 -67.37 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.464 -0.772 . . . . 0.0 109.325 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 pp -54.55 -45.85 73.52 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.388 -0.82 . . . . 0.0 109.687 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.542 ' HA ' HD12 ' A' ' 72' ' ' ILE . 93.8 t -65.98 -18.84 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.784 -1.197 . . . . 0.0 110.269 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.86 -49.43 42.17 Favored Glycine 0 N--CA 1.493 2.436 0 C-N-CA 119.991 -1.1 . . . . 0.0 110.956 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.563 ' OE1' ' NE2' ' A' ' 93' ' ' GLN . 1.8 pt20 -72.0 -22.61 61.39 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.807 -1.408 . . . . 0.0 110.658 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.859 HD11 HD13 ' A' ' 94' ' ' LEU . 83.7 mt -61.22 -61.68 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.437 -1.414 . . . . 0.0 107.797 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -56.45 -32.77 65.24 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -62.3 -21.83 65.56 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.576 -1.649 . . . . 0.0 107.997 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.51 -34.38 70.04 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 176.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.91 -39.52 85.71 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -63.97 -46.55 84.15 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 122.502 1.144 . . . . 0.0 109.542 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.5 mp -63.92 -55.7 20.69 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.642 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.04 -37.08 6.27 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.128 -0.983 . . . . 0.0 109.713 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -64.49 -27.71 69.16 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.581 ' N ' ' O ' ' A' ' 78' ' ' LEU . 27.0 tt0 -86.05 4.74 36.68 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.58 40.17 6.46 Favored Glycine 0 N--CA 1.497 2.707 0 O-C-N 121.128 -0.983 . . . . 0.0 111.54 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -101.15 66.72 1.14 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.939 -1.33 . . . . 0.0 109.416 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.1 t -62.76 -58.49 7.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 O-C-N 121.645 -0.659 . . . . 0.0 110.598 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -47.21 59.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.219 -0.926 . . . . 0.0 109.78 -178.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.33 -47.01 87.01 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 121.76 -0.587 . . . . 0.0 109.87 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.36 90.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.933 -1.104 . . . . 0.0 108.688 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.64 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 25.1 mt-30 -64.86 -41.05 96.0 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.19 96.36 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.5 -21.72 62.74 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -65.09 -50.15 67.23 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.273 -0.892 . . . . 0.0 109.338 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.71 -12.82 18.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.097 -1.002 . . . . 0.0 109.101 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.563 ' NE2' ' OE1' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -74.93 -39.85 61.15 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 178.46 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.859 HD13 HD11 ' A' ' 72' ' ' ILE . 57.1 tp -67.13 -41.52 86.01 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.437 -0.789 . . . . 0.0 109.112 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -57.55 -63.11 1.35 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.101 -0.999 . . . . 0.0 109.199 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 m -65.41 -25.48 67.56 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.369 -0.832 . . . . 0.0 110.473 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.461 ' OG1' ' OE1' ' A' ' 93' ' ' GLN . 4.9 m -49.64 -58.42 5.3 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.694 -1.254 . . . . 0.0 108.302 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.3 mp -57.61 -55.74 19.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.66 -0.65 . . . . 0.0 109.914 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.547 ' HE ' ' C ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -57.99 -49.48 76.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.726 -1.234 . . . . 0.0 110.862 -179.056 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.48 -35.92 77.05 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.988 -1.07 . . . . 0.0 109.522 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.488 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.1 m-30 -69.57 -5.0 21.53 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.5 t30 90.62 66.34 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 -176.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 102' ' ' ASN . 6.6 mm-40 47.36 54.84 9.01 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -176.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 30.5 tptt 63.21 -95.03 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 113.897 -1.501 . . . . 0.0 108.744 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 104' ' ' LYS . 22.2 m-85 -145.71 20.6 1.48 Allowed 'General case' 0 N--CA 1.503 2.225 0 O-C-N 119.636 -1.915 . . . . 0.0 109.914 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.398 0 CA-C-O 118.067 -1.407 . . . . 0.0 109.657 179.556 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.405 0.622 . . . . 0.0 109.746 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -157.37 4.04 0.13 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.435 -0.791 . . . . 0.0 110.061 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.48 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.36 -16.1 42.87 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' GLU . 12.4 p-10 -76.65 -48.09 20.13 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.108 -0.995 . . . . 0.0 110.497 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -49.65 -39.58 36.64 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 179.109 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -59.19 -37.17 76.77 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.761 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ASP . 15.5 tm-20 -61.32 -43.09 99.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.392 -0.817 . . . . 0.0 109.128 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.433 HG22 ' HB2' ' A' ' 36' ' ' ALA . 2.7 m -55.64 -52.46 63.73 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.07 -28.58 69.88 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.44 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -59.02 -65.23 0.7 Allowed 'General case' 0 C--N 1.29 -1.984 0 O-C-N 120.81 -1.181 . . . . 0.0 110.523 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -52.53 -23.04 5.59 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.565 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.57 -56.93 10.81 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 117.548 -1.661 . . . . 0.0 108.537 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.0 mm? -58.57 -35.69 72.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.062 -1.024 . . . . 0.0 109.136 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -54.24 -51.3 64.93 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.705 -0.622 . . . . 0.0 110.633 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.615 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.6 t -68.48 -56.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 120.868 -1.145 . . . . 0.0 111.659 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -42.33 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.481 0 O-C-N 120.009 -1.682 . . . . 0.0 107.987 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 7.9 mm-40 -62.58 -26.14 68.44 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' A' ' 16' ' ' VAL . 14.7 mtpp -129.0 32.03 4.81 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.5 -0.75 . . . . 0.0 110.282 -178.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.615 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.1 -13.4 47.42 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.992 -1.068 . . . . 0.0 110.748 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 66.59 -35.62 0.24 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.357 -0.84 . . . . 0.0 109.825 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.552 ' H ' ' C ' ' A' ' 20' ' ' ALA . 3.5 m120 -152.96 151.71 30.62 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.249 -0.907 . . . . 0.0 109.731 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.484 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -52.93 -14.95 0.65 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.143 -0.973 . . . . 0.0 109.18 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.71 -58.79 4.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.866 -1.146 . . . . 0.0 110.031 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -65.57 -12.92 57.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.789 -1.194 . . . . 0.0 109.863 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.512 HG23 ' CB ' ' A' ' 20' ' ' ALA . 18.6 t -70.48 -46.97 68.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -54.99 -43.59 73.7 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.945 0.879 . . . . 0.0 108.923 179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.52 -60.79 3.16 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.512 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -44.04 -52.05 7.39 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.256 0.55 . . . . 0.0 110.583 -178.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.94 -32.7 71.04 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.17 -0.956 . . . . 0.0 110.547 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 m -66.28 -30.54 70.99 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.347 -1.47 . . . . 0.0 108.027 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HG2' ' H ' ' A' ' 32' ' ' LYS . 4.5 mmtt -69.7 -41.11 75.82 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 178.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.686 ' O ' ' N ' ' A' ' 37' ' ' ALA . 1.3 mtp -54.29 -51.73 63.69 Favored 'General case' 0 C--O 1.2 -1.542 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.474 ' NH2' ' O ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -37.31 -49.99 0.99 Allowed 'General case' 0 N--CA 1.501 2.08 0 CA-C-O 121.869 0.842 . . . . 0.0 109.244 179.179 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.99 -55.69 13.35 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.299 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' HB2' HG22 ' A' ' 9' ' ' THR . . . -66.23 -21.35 66.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.476 -0.765 . . . . 0.0 110.208 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.686 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -63.09 -69.84 0.24 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.119 -0.988 . . . . 0.0 109.981 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.41 -19.7 66.06 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.208 -0.933 . . . . 0.0 109.429 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -61.73 -40.99 97.03 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 43' ' ' ALA . . . -58.52 -35.72 72.71 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -41.45 13.33 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -86.25 -5.01 59.28 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.786 -0.572 . . . . 0.0 110.617 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.507 ' O ' ' ND2' ' A' ' 6' ' ' ASN . . . -162.85 93.12 0.8 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.725 -1.234 . . . . 0.0 108.952 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.505 HG23 ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -135.49 154.86 78.67 Favored Pre-proline 0 N--CA 1.493 1.692 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.283 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -30.6 -41.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.315 -1.212 0 C-N-CA 122.655 2.236 . . . . 0.0 114.587 -179.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.534 ' O ' ' N ' ' A' ' 48' ' ' LEU . 9.9 Cg_endo -95.7 -1.45 2.21 Favored 'Trans proline' 0 C--N 1.316 -1.137 0 C-N-CA 122.864 2.376 . . . . 0.0 111.974 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.579 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 37.49 25.88 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.992 -0.443 . . . . 0.0 110.281 -179.633 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.675 HD23 ' CG ' ' A' ' 61' ' ' PHE . 3.3 tm? 40.93 -88.88 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -68.36 97.68 0.77 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.708 -1.245 . . . . 0.0 107.987 178.742 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.23 7.88 43.75 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.679 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.2 OUTLIER -164.86 -85.96 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.679 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 21.4 m -171.78 70.28 0.46 Allowed Pre-proline 0 N--CA 1.486 1.33 0 O-C-N 121.021 -1.05 . . . . 0.0 109.49 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -69.98 -76.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.113 1.876 . . . . 0.0 111.046 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 55' ' ' SER . 90.7 m-20 -135.71 -54.42 0.77 Allowed 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 54.3 p 113.59 -44.37 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.609 0 C-N-CA 123.727 0.811 . . . . 0.0 112.205 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.405 ' C ' ' H ' ' A' ' 58' ' ' MET . 6.1 Cg_exo -80.48 -35.64 0.57 Allowed 'Trans proline' 0 N--CA 1.489 1.262 0 CA-C-N 121.683 1.637 . . . . 0.0 109.501 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -58.52 -7.32 0.89 Allowed 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.405 ' H ' ' C ' ' A' ' 56' ' ' PRO . 12.4 ttp -65.68 -50.65 64.12 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.175 -0.953 . . . . 0.0 109.242 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -54.11 -35.66 62.38 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.707 -1.246 . . . . 0.0 108.397 179.45 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -54.53 -36.82 64.67 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 106.044 -1.836 . . . . 0.0 106.044 178.125 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.675 ' CG ' HD23 ' A' ' 48' ' ' LEU . 4.1 t80 -55.46 -34.26 64.37 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 106.541 -1.652 . . . . 0.0 106.541 177.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 59' ' ' LYS . 1.1 ttt180 -53.51 -34.03 56.63 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 176.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 60' ' ' ASP . 10.0 t60 -55.56 -38.1 68.88 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -70.14 -44.73 59.34 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.259 -1.537 . . . . 0.0 109.259 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.565 ' O ' HG22 ' A' ' 69' ' ' VAL . 12.6 m-85 -72.11 -43.02 65.41 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 62' ' ' ARG . 10.7 t70 -43.75 -38.84 3.39 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mm -67.33 -66.61 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 O-C-N 121.759 -0.588 . . . . 0.0 110.035 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 pp -55.37 -48.45 74.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.192 -0.943 . . . . 0.0 110.503 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 65' ' ' PHE . 5.8 m -64.81 -21.51 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 120.438 -1.414 . . . . 0.0 109.794 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.427 ' O ' ' OD1' ' A' ' 73' ' ' ASP . . . -68.89 -48.24 49.76 Favored Glycine 0 N--CA 1.496 2.697 0 O-C-N 121.319 -0.863 . . . . 0.0 111.172 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.565 ' OE1' ' NE2' ' A' ' 93' ' ' GLN . 8.8 pt20 -71.99 -26.16 62.13 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.695 -1.473 . . . . 0.0 109.11 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.408 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 4.0 mm -61.15 -57.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 3.5 p30 -58.79 -32.24 69.15 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.546 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 22.8 t70 -59.82 -20.0 54.22 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 117.743 -1.583 . . . . 0.0 107.327 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 72' ' ' ILE . . . -72.57 -35.43 67.95 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 176.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 73' ' ' ASP . 5.0 tt -57.77 -39.76 78.2 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 177.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.41 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 11.8 ttpp -64.12 -45.18 89.7 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 122.337 1.065 . . . . 0.0 110.034 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.3 mp -64.47 -53.99 39.55 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.82 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.15 -32.88 4.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.084 -1.01 . . . . 0.0 109.209 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' A' ' 77' ' ' LYS . 4.6 m-20 -65.73 -30.28 70.92 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 78' ' ' LEU . 24.6 tt0 -86.12 7.12 26.09 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.06 42.97 5.79 Favored Glycine 0 N--CA 1.497 2.742 0 O-C-N 121.253 -0.904 . . . . 0.0 111.474 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -101.2 70.95 1.36 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.972 -1.311 . . . . 0.0 109.894 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.484 HG22 ' HB2' ' A' ' 23' ' ' ALA . 39.9 t -63.6 -52.34 58.86 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 CA-C-O 121.279 0.561 . . . . 0.0 110.033 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -74.8 -50.7 16.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.383 -0.823 . . . . 0.0 110.389 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.65 -42.89 79.71 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.493 -0.754 . . . . 0.0 109.875 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.79 84.18 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.04 -1.037 . . . . 0.0 109.85 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.579 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 25.1 mt-30 -63.58 -39.6 94.8 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.029 -1.044 . . . . 0.0 108.681 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.1 96.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.971 -1.081 . . . . 0.0 108.248 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.95 -22.54 65.72 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -63.58 -52.0 62.9 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.842 -1.161 . . . . 0.0 108.535 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.27 -11.21 29.44 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.378 -0.826 . . . . 0.0 110.385 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.565 ' NE2' ' OE1' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -76.43 -32.61 58.58 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.7 tp -66.06 -51.55 57.08 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -50.54 -65.19 0.6 Allowed 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.613 0.72 . . . . 0.0 109.799 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 m -64.19 -32.17 73.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.274 -0.891 . . . . 0.0 110.571 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 93' ' ' GLN . 1.7 m -49.88 -54.97 16.2 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.696 -1.253 . . . . 0.0 108.988 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.04 -55.9 12.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.017 -1.052 . . . . 0.0 108.448 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -58.53 -50.55 73.35 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.692 -1.255 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.17 -31.71 71.45 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.992 -1.068 . . . . 0.0 109.794 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.8 m-30 -72.77 -6.34 44.08 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.0 OUTLIER 91.25 66.2 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 104.62 -2.363 . . . . 0.0 104.62 -176.621 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 102' ' ' ASN . 9.7 mm-40 46.39 57.49 5.33 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -176.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.1 tptt 60.9 -80.37 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.204 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.82 2.77 1.06 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.111 -1.618 . . . . 0.0 109.75 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.118 0 CA-C-O 118.015 -1.436 . . . . 0.0 110.407 179.459 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.457 ' HB1' ' OD2' ' A' ' 5' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.243 0.544 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.33 164.45 24.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.203 -0.936 . . . . 0.0 109.652 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.412 ' N ' ' CD2' ' A' ' 3' ' ' LEU . 3.9 mm? -49.8 -55.45 14.07 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.375 -0.828 . . . . 0.0 109.622 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.14 -28.14 67.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.239 -0.913 . . . . 0.0 109.772 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.457 ' OD2' ' HB1' ' A' ' 1' ' ' ALA . 24.2 t70 -76.46 -35.6 58.37 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.832 -1.168 . . . . 0.0 109.889 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.478 HD22 ' HB2' ' A' ' 40' ' ' ALA . 0.1 OUTLIER -52.46 -41.9 63.71 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 178.45 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.508 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.1 m95 -57.52 -41.01 80.01 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.3 -45.49 87.89 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.446 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.8 m -56.0 -56.28 22.63 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.35 -24.01 67.66 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.341 0.591 . . . . 0.0 109.892 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' TRP . 52.1 t-20 -63.83 -68.9 0.31 Allowed 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.63 -1.294 . . . . 0.0 109.925 -179.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.65 -16.43 2.46 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.88 -0.513 . . . . 0.0 109.89 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 9' ' ' THR . 5.9 m-80 -66.59 -56.85 8.81 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 117.917 -1.513 . . . . 0.0 108.332 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.2 mm? -57.07 -34.6 68.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.11 -0.994 . . . . 0.0 108.931 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -58.27 -45.39 87.97 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.722 -0.611 . . . . 0.0 110.098 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.635 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.7 t -68.52 -59.09 4.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.848 -1.158 . . . . 0.0 110.699 -178.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -46.27 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 O-C-N 120.431 -1.418 . . . . 0.0 107.814 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 4.6 mm-40 -57.85 -31.14 66.38 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 16' ' ' VAL . 17.7 mtpt -127.08 36.55 4.42 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.482 -0.761 . . . . 0.0 110.116 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.635 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.99 -15.14 61.96 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.247 -0.908 . . . . 0.0 110.416 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 64.5 -31.66 0.13 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.698 -0.626 . . . . 0.0 109.96 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.577 ' H ' ' C ' ' A' ' 20' ' ' ALA . 6.6 m120 -154.39 152.64 30.43 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.141 -0.974 . . . . 0.0 109.72 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.04 -13.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.165 -0.959 . . . . 0.0 109.383 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 22' ' ' ASN . . . -66.27 -62.52 1.43 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.24 -0.913 . . . . 0.0 110.236 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -66.53 -10.82 48.87 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.963 -1.086 . . . . 0.0 110.425 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.498 HG23 ' CB ' ' A' ' 20' ' ' ALA . 12.1 t -69.2 -59.76 3.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 120.913 -1.117 . . . . 0.0 108.104 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 15.2 ptmt -57.92 -32.28 67.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.555 -0.716 . . . . 0.0 110.111 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -61.15 2.7 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.148 -0.97 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.434 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -50.56 -41.62 54.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.744 -0.597 . . . . 0.0 110.624 -178.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.524 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 14.7 mt -60.23 -42.26 94.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.763 -1.211 . . . . 0.0 109.741 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.9 m -58.57 -34.02 70.59 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.886 -1.134 . . . . 0.0 109.316 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -72.25 -38.68 68.82 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.628 ' O ' ' N ' ' A' ' 37' ' ' ALA . 3.7 mtm -60.77 -42.26 97.12 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.524 ' NH1' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -48.23 -50.81 28.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.94 -1.1 . . . . 0.0 108.148 178.568 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.25 -52.4 41.28 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.292 0.568 . . . . 0.0 109.665 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.58 -25.31 68.18 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 0.0 109.322 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.628 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.63 -72.03 0.18 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.259 -0.9 . . . . 0.0 111.309 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.424 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 11.6 mt -58.78 -22.6 58.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.102 -0.998 . . . . 0.0 108.88 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -61.74 -37.96 86.16 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.478 ' HB2' HD22 ' A' ' 6' ' ' ASN . . . -63.17 -28.35 69.99 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 40' ' ' ALA . 1.2 tm0? -44.17 -46.05 8.64 Favored 'General case' 0 N--CA 1.511 2.597 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -106.92 23.05 15.0 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.303 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.79 55.14 0.11 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.511 HG23 ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -106.91 153.47 40.83 Favored Pre-proline 0 N--CA 1.494 1.754 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -178.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.46 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 20.1 Cg_exo -32.17 -41.68 0.12 Allowed 'Trans proline' 0 C--N 1.316 -1.173 0 C-N-CA 122.529 2.153 . . . . 0.0 114.248 -178.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.547 ' N ' ' OXT' ' A' ' 106' ' ' GLY . 10.8 Cg_endo -94.78 -12.75 0.89 Allowed 'Trans proline' 0 C--N 1.316 -1.168 0 C-N-CA 122.782 2.322 . . . . 0.0 112.181 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.595 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.7 OUTLIER 66.85 -2.35 1.14 Allowed 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.694 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.679 HD23 ' CD1' ' A' ' 61' ' ' PHE . 2.6 tm? 60.2 -75.25 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -177.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.595 ' N ' ' O ' ' A' ' 47' ' ' LYS . 26.5 mt-10 -75.43 99.01 4.04 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 177.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 16.8 p-10 -92.22 -7.01 49.44 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.211 -0.931 . . . . 0.0 108.753 -179.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.657 ' CG ' ' H ' ' A' ' 52' ' ' SER . 13.0 pttt -166.11 -70.04 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.49 -0.756 . . . . 0.0 109.136 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.657 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 5.0 m -175.75 65.62 0.24 Allowed Pre-proline 0 C--N 1.308 -1.233 0 O-C-N 121.263 -0.898 . . . . 0.0 109.207 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -65.53 -77.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.022 1.815 . . . . 0.0 111.16 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 55' ' ' SER . 33.6 m-20 -136.82 -57.68 0.73 Allowed 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 53.6 p 112.98 -43.82 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.505 0 C-N-CA 123.583 0.753 . . . . 0.0 111.565 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.494 ' C ' ' H ' ' A' ' 58' ' ' MET . 5.9 Cg_exo -75.32 -38.78 1.32 Allowed 'Trans proline' 0 N--CA 1.488 1.16 0 CA-C-N 121.652 1.626 . . . . 0.0 108.914 177.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.1 -4.45 0.51 Allowed 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.494 ' H ' ' C ' ' A' ' 56' ' ' PRO . 51.4 ttp -67.5 -66.7 0.53 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.463 -0.773 . . . . 0.0 109.02 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 62' ' ' ARG . 11.3 tptt -50.82 -35.83 34.25 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.674 -1.266 . . . . 0.0 108.519 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 63' ' ' HIS . 2.0 m-20 -56.07 -35.44 66.97 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.679 ' CD1' HD23 ' A' ' 48' ' ' LEU . 15.1 t80 -54.9 -36.37 65.12 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 177.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.577 ' O ' ' N ' ' A' ' 66' ' ' ASP . 14.7 ttp180 -52.45 -31.94 37.18 Favored 'General case' 0 C--O 1.203 -1.381 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 176.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 60' ' ' ASP . 53.4 t60 -54.41 -33.83 60.14 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 177.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -71.62 -52.02 13.99 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -70.49 -36.91 74.09 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.487 -1.008 . . . . 0.0 108.884 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 62' ' ' ARG . 14.7 t70 -54.45 -41.5 69.53 Favored 'General case' 0 C--N 1.29 -2.002 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.1 mm -64.25 -64.15 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.407 -0.808 . . . . 0.0 110.226 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.42 HD13 HD11 ' A' ' 94' ' ' LEU . 2.2 pp -53.81 -45.85 70.93 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.239 -0.913 . . . . 0.0 109.992 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.405 HG22 ' HE ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -67.5 -17.47 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 120.548 -1.345 . . . . 0.0 109.923 178.514 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.59 -57.56 8.89 Favored Glycine 0 N--CA 1.487 2.046 0 C-N-CA 119.71 -1.233 . . . . 0.0 111.727 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.406 HE21 ' HB2' ' A' ' 71' ' ' GLN . 2.0 pt20 -72.72 -26.13 61.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.749 -1.442 . . . . 0.0 110.029 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.51 HG21 ' NH2' ' A' ' 34' ' ' ARG . 3.6 mm -60.52 -57.12 13.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 121.167 -0.958 . . . . 0.0 109.037 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -56.82 -36.66 70.21 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.1 -20.91 64.54 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 117.475 -1.69 . . . . 0.0 107.734 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 72' ' ' ILE . . . -71.61 -34.81 70.16 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 176.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.485 HD23 ' O ' ' A' ' 76' ' ' LEU . 5.4 tt -57.97 -39.52 78.36 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 177.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -65.84 -47.67 74.21 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.421 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.3 mp -63.12 -55.91 21.32 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 121.685 -0.634 . . . . 0.0 109.814 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HA ' ' H ' ' A' ' 83' ' ' LYS . . . -44.69 -39.47 5.14 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.085 -1.009 . . . . 0.0 109.615 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -60.45 -30.4 69.64 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.604 ' N ' ' O ' ' A' ' 78' ' ' LEU . 11.9 tp10 -84.53 3.09 38.13 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.4 43.96 5.41 Favored Glycine 0 N--CA 1.498 2.809 0 O-C-N 121.212 -0.93 . . . . 0.0 111.918 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.409 ' H ' ' HA ' ' A' ' 79' ' ' ALA . 25.6 mmtp -103.61 68.49 0.94 Allowed 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.886 -1.361 . . . . 0.0 109.547 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.5 t -61.84 -42.44 94.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 O-C-N 121.484 -0.76 . . . . 0.0 110.782 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -55.21 6.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.038 -1.039 . . . . 0.0 110.205 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -44.31 90.05 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.683 -0.636 . . . . 0.0 110.128 -178.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.4 -49.65 74.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.927 -1.108 . . . . 0.0 109.322 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.614 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 20.4 mt-30 -62.67 -37.74 87.61 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.25 81.38 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.0 -23.53 66.48 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 178.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.58 -54.31 34.0 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.749 -0.594 . . . . 0.0 109.714 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.58 -15.42 38.75 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.076 -1.015 . . . . 0.0 109.346 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.439 ' OE1' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -75.35 -43.22 51.71 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 179.125 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.538 ' CD2' ' SD ' ' A' ' 33' ' ' MET . 16.0 tp -67.14 -38.72 86.03 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.118 -0.989 . . . . 0.0 109.217 178.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -56.7 -69.69 0.14 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.116 -0.99 . . . . 0.0 109.857 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 100' ' ' ALA . 0.7 OUTLIER -64.46 -23.91 67.44 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.388 -0.82 . . . . 0.0 110.247 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.439 ' OG1' ' OE1' ' A' ' 93' ' ' GLN . 1.9 m -48.46 -60.64 2.52 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.641 -1.287 . . . . 0.0 108.297 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.0 -57.67 7.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.791 -0.568 . . . . 0.0 109.645 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -58.22 -50.89 71.96 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.661 -1.275 . . . . 0.0 110.784 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 96' ' ' THR . . . -62.0 -29.62 70.39 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.886 -1.134 . . . . 0.0 109.304 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.51 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.3 m-30 -73.0 -6.42 45.33 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.2 t30 90.59 64.9 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -176.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 102' ' ' ASN . 7.4 mm-40 47.81 56.89 6.57 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 -176.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.5 tptt 58.72 -83.16 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.314 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.64 10.15 1.21 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.382 -1.449 . . . . 0.0 109.087 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.547 ' OXT' ' N ' ' A' ' 46' ' ' PRO . . . . . . . . 0 N--CA 1.486 2.007 0 CA-C-O 118.112 -1.382 . . . . 0.0 109.682 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.483 0.658 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -77.73 -155.12 0.07 Allowed 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.474 -0.766 . . . . 0.0 109.856 -179.677 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -43.72 -26.82 0.27 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.568 -0.708 . . . . 0.0 110.135 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -62.47 -24.09 67.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.957 -1.09 . . . . 0.0 110.564 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 22.0 p-10 -74.31 -36.96 63.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.802 -1.186 . . . . 0.0 110.991 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.529 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -52.76 -39.91 62.63 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.1 -1.815 . . . . 0.0 106.1 179.102 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.546 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.6 m95 -62.08 -43.79 98.08 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -51.78 -47.92 64.01 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.518 -0.739 . . . . 0.0 109.409 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.412 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 1.2 m -54.35 -57.3 11.79 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.487 ' CD1' ' HB1' ' A' ' 36' ' ' ALA . 1.2 mp -65.51 -24.92 67.25 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 121.497 0.665 . . . . 0.0 109.309 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.546 ' N ' ' O ' ' A' ' 7' ' ' TRP . 46.0 t-20 -63.23 -65.74 0.64 Allowed 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.694 -1.254 . . . . 0.0 109.919 -178.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.92 -18.82 3.76 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.752 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 9' ' ' THR . 7.3 m-80 -65.73 -58.22 6.18 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 117.804 -1.558 . . . . 0.0 108.581 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.4 mm? -56.14 -33.59 65.32 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.148 -0.97 . . . . 0.0 109.011 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HZ1' ' HE2' ' A' ' 19' ' ' LYS . 13.7 ttpp -59.11 -49.42 77.96 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.706 -0.621 . . . . 0.0 111.038 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' ALA . 3.1 t -66.87 -53.2 36.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 120.632 -1.292 . . . . 0.0 111.03 -178.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.459 HD11 ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -50.96 -45.03 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 120.21 -1.556 . . . . 0.0 107.89 -179.553 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' HA ' HE21 ' A' ' 88' ' ' GLN . 3.9 mm-40 -60.81 -25.97 66.98 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 16' ' ' VAL . 12.1 mtpt -127.73 38.08 4.1 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.575 -0.703 . . . . 0.0 109.508 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.04 -34.02 77.07 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.468 -0.77 . . . . 0.0 111.32 -179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 1.7 m-20 72.69 -35.34 0.32 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.238 -0.914 . . . . 0.0 109.135 -178.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.471 ' H ' ' C ' ' A' ' 20' ' ' ALA . 7.1 m120 -152.26 153.85 34.57 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.149 -0.97 . . . . 0.0 109.901 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.78 -19.33 4.14 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.293 -0.879 . . . . 0.0 109.511 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.01 -54.06 36.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.201 -0.937 . . . . 0.0 109.949 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.409 ' OE1' ' O ' ' A' ' 20' ' ' ALA . 1.9 mt-30 -70.26 -14.68 62.71 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.801 -1.187 . . . . 0.0 110.437 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.02 -63.89 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 120.91 -1.119 . . . . 0.0 108.728 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -26.43 39.48 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.789 -0.57 . . . . 0.0 109.706 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 3.2 t70 -60.54 -61.76 2.36 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.973 -1.079 . . . . 0.0 108.51 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.48 -48.82 47.51 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.709 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.01 -36.42 72.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.928 -1.108 . . . . 0.0 109.623 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.2 m -64.69 -30.88 71.91 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.623 -1.298 . . . . 0.0 108.475 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 28' ' ' ASP . 6.0 mmtt -73.72 -37.66 65.06 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.671 ' O ' ' N ' ' A' ' 37' ' ' ALA . 7.1 mtt -56.53 -44.04 80.43 Favored 'General case' 0 C--O 1.199 -1.554 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.52 HH12 ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.26 -49.63 23.08 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.258 -0.901 . . . . 0.0 108.779 179.136 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.62 -50.96 63.11 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 119.526 -0.87 . . . . 0.0 108.721 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.487 ' HB1' ' CD1' ' A' ' 10' ' ' LEU . . . -68.19 -21.61 64.87 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.415 -0.803 . . . . 0.0 109.958 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -63.58 -70.41 0.22 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.159 -0.963 . . . . 0.0 110.631 -178.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -32.83 72.22 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.671 -1.212 . . . . 0.0 110.285 -178.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -58.59 -35.68 72.79 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -63.63 -33.92 76.69 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 176.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' ALA . 1.1 tm0? -41.13 -33.28 0.33 Allowed 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -78.76 0.17 Allowed 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.53 108.02 18.37 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -108.85 157.46 36.77 Favored Pre-proline 0 N--CA 1.493 1.693 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.441 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 95.6 Cg_exo -39.5 -41.89 2.52 Favored 'Trans proline' 0 N--CA 1.487 1.093 0 C-N-CA 121.515 1.476 . . . . 0.0 112.714 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 45' ' ' PRO . 84.9 Cg_endo -105.31 2.63 0.24 Allowed 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 123.321 2.681 . . . . 0.0 110.899 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER 66.6 129.46 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 -178.679 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.919 ' O ' HD13 ' A' ' 48' ' ' LEU . 2.7 tm? -66.97 0.87 2.22 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' A' ' 47' ' ' LYS . 15.9 mt-10 -141.64 84.66 1.91 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.126 -0.984 . . . . 0.0 109.15 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -94.38 -3.74 49.73 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.666 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -166.63 -76.45 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.666 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 5.1 m -171.64 60.03 0.29 Allowed Pre-proline 0 C--N 1.305 -1.339 0 O-C-N 121.329 -0.857 . . . . 0.0 109.24 177.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' A' ' 52' ' ' SER . 32.4 Cg_exo -60.09 -73.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.377 2.051 . . . . 0.0 110.929 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 55' ' ' SER . 10.0 m-20 -142.56 -82.09 0.2 Allowed 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 3.6 p 109.38 -46.88 0.0 OUTLIER Pre-proline 0 N--CA 1.505 2.28 0 C-N-CA 124.244 1.018 . . . . 0.0 109.173 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.419 ' HD3' ' OG ' ' A' ' 55' ' ' SER . 20.5 Cg_exo -66.29 -37.18 25.13 Favored 'Trans proline' 0 N--CA 1.489 1.232 0 CA-C-N 120.681 1.279 . . . . 0.0 109.156 176.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.656 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -62.71 -53.56 52.61 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.292 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.526 ' C ' ' O ' ' A' ' 57' ' ' GLU . 23.0 ttp 17.52 -81.05 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.269 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 62' ' ' ARG . 17.2 tptt -51.99 -39.15 58.94 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.463 -1.398 . . . . 0.0 108.237 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.656 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -54.55 -36.23 64.08 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 105.547 -2.02 . . . . 0.0 105.547 177.314 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.615 ' CG ' HD23 ' A' ' 48' ' ' LEU . 5.8 t80 -55.24 -33.77 63.43 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 59' ' ' LYS . 8.3 ttt180 -56.86 -33.66 67.03 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 176.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 60' ' ' ASP . 12.9 t60 -53.36 -36.16 61.07 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.16 -46.08 45.4 Favored Glycine 0 N--CA 1.497 2.735 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -73.3 -41.04 64.04 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.429 -1.042 . . . . 0.0 108.715 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -50.31 -43.95 53.91 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -177.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.6 mm -63.04 -64.34 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.283 -0.885 . . . . 0.0 109.498 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.3 pp -56.42 -40.9 75.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.0 -1.063 . . . . 0.0 109.868 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.52 ' CG1' HH12 ' A' ' 34' ' ' ARG . 63.6 t -66.5 -22.41 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.879 -1.138 . . . . 0.0 110.57 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.87 -48.15 35.48 Favored Glycine 0 N--CA 1.497 2.718 0 O-C-N 121.041 -1.037 . . . . 0.0 112.151 -177.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -73.42 -28.05 61.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.609 -1.524 . . . . 0.0 110.298 -178.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 mm -59.49 -56.73 15.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 O-C-N 121.092 -1.005 . . . . 0.0 108.872 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.6 p30 -58.31 -31.85 67.9 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 12.1 t70 -63.55 -22.09 66.7 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.089 -1.632 . . . . 0.0 108.031 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.19 -33.03 65.18 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 176.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.498 HD23 HD22 ' A' ' 80' ' ' ASN . 8.6 tt -57.52 -35.69 70.6 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -64.87 -46.51 81.48 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.003 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 81' ' ' GLU . 6.2 mp -63.42 -57.06 11.49 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 121.714 -0.616 . . . . 0.0 109.718 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.98 -34.16 3.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.095 -1.003 . . . . 0.0 109.896 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.498 HD22 HD23 ' A' ' 76' ' ' LEU . 7.0 m-20 -65.71 -28.23 68.91 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 78' ' ' LEU . 19.3 tt0 -88.24 13.68 10.98 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.547 -0.721 . . . . 0.0 109.471 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.76 35.51 13.2 Favored Glycine 0 N--CA 1.498 2.794 0 O-C-N 121.218 -0.926 . . . . 0.0 111.93 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -101.25 66.38 1.11 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.816 -1.402 . . . . 0.0 110.683 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.98 -43.85 96.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 O-C-N 121.247 -0.908 . . . . 0.0 110.219 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.11 -49.75 22.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.137 -0.977 . . . . 0.0 110.233 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.25 -42.98 96.45 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.502 -0.749 . . . . 0.0 109.886 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.15 -42.95 88.34 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.931 -1.105 . . . . 0.0 109.625 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.624 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 32.4 mt-30 -61.99 -41.02 97.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.99 -1.069 . . . . 0.0 108.254 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.5 97.89 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.34 -24.18 66.27 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.3 -43.26 95.29 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.38 -15.58 60.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.378 -0.826 . . . . 0.0 109.25 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.48 ' O ' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -76.1 -42.22 47.86 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.14 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.5 HD23 HD21 ' A' ' 14' ' ' LEU . 56.7 tp -64.81 -42.9 94.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.258 -0.901 . . . . 0.0 109.181 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -54.73 -62.19 1.82 Allowed 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.059 -1.026 . . . . 0.0 108.893 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.09 -23.26 64.91 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.426 -0.796 . . . . 0.0 110.501 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 93' ' ' GLN . 19.3 m -49.82 -57.95 6.35 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.496 -1.378 . . . . 0.0 108.114 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.5 mp -59.35 -56.51 16.64 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 121.959 -0.463 . . . . 0.0 110.515 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -57.99 -46.73 84.74 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.572 -1.33 . . . . 0.0 111.386 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -61.31 -41.4 96.94 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.756 -1.215 . . . . 0.0 109.373 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.491 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.9 m-30 -66.28 -0.62 2.69 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.6 t30 85.48 69.1 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 -178.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' A' ' 105' ' ' TYR . 7.3 mm-40 46.19 54.57 8.17 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 -176.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.9 tptt 60.19 -70.16 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.239 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -142.53 -12.29 0.79 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.482 -1.386 . . . . 0.0 109.696 178.312 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.416 ' OXT' ' O ' ' A' ' 105' ' ' TYR . . . . . . . . 0 N--CA 1.496 2.696 0 CA-C-O 118.075 -1.403 . . . . 0.0 110.41 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -78.9 170.78 16.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 0.0 109.772 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.425 ' O ' ' OD1' ' A' ' 6' ' ' ASN . 0.1 OUTLIER -54.69 -49.23 71.18 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.193 -0.942 . . . . 0.0 109.42 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.74 -22.5 65.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.387 -0.821 . . . . 0.0 110.396 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.03 -32.64 63.43 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.651 -1.281 . . . . 0.0 109.481 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -51.51 -45.17 62.78 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 178.039 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.506 ' N ' ' ND2' ' A' ' 6' ' ' ASN . 1.8 m95 -55.48 -40.04 71.16 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' OE2' ' OD2' ' A' ' 12' ' ' ASP . 4.6 tm-20 -61.03 -40.13 92.39 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.437 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.0 m -57.65 -54.25 48.95 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.592 HD12 ' HB1' ' A' ' 36' ' ' ALA . 7.6 mp -64.72 -29.36 70.34 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.605 0.717 . . . . 0.0 109.269 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 7' ' ' TRP . 51.4 t30 -60.15 -64.96 0.76 Allowed 'General case' 0 C--N 1.29 -2.004 0 O-C-N 120.567 -1.333 . . . . 0.0 109.85 -179.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.415 ' OD2' ' OE2' ' A' ' 8' ' ' GLU . 91.6 m-20 -54.33 -21.55 9.72 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.631 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 9' ' ' THR . 10.8 m-80 -68.27 -61.35 1.88 Allowed 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 118.148 -1.421 . . . . 0.0 108.046 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.2 mm? -55.25 -33.14 62.9 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.254 -0.904 . . . . 0.0 109.387 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -54.78 -55.36 30.88 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.58 -0.7 . . . . 0.0 110.887 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.1 t -63.79 -50.55 77.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 120.734 -1.229 . . . . 0.0 111.172 -178.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.73 -53.98 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 120.154 -1.591 . . . . 0.0 108.464 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.13 -18.37 9.76 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.475 -0.89 . . . . 0.0 108.763 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 16' ' ' VAL . 22.3 mtpt -129.13 28.32 5.29 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.385 -0.822 . . . . 0.0 110.034 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.618 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.47 -17.99 64.35 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.096 -1.003 . . . . 0.0 110.966 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 68.74 -33.29 0.24 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.557 -0.715 . . . . 0.0 109.505 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.536 ' H ' ' C ' ' A' ' 20' ' ' ALA . 4.1 m120 -153.23 149.51 28.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.17 -0.956 . . . . 0.0 109.775 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.613 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -52.69 -9.93 0.14 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 0.0 109.338 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' A' ' 22' ' ' ASN . . . -68.38 -61.6 1.77 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.006 -1.059 . . . . 0.0 110.183 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -65.98 -11.32 46.87 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.871 -1.143 . . . . 0.0 110.042 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.525 HG23 ' CB ' ' A' ' 20' ' ' ALA . 18.2 t -69.89 -58.01 6.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.116 -0.99 . . . . 0.0 108.473 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 14.1 ptmt -57.41 -33.61 68.05 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.285 -0.884 . . . . 0.0 109.837 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -63.08 -58.71 6.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.086 -1.009 . . . . 0.0 108.364 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.491 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -49.21 -45.04 43.78 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.073 0.463 . . . . 0.0 110.66 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.405 HD13 ' N ' ' A' ' 76' ' ' LEU . 18.6 mt -60.23 -35.33 75.21 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.069 -1.019 . . . . 0.0 110.335 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 m -64.4 -30.51 71.55 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.523 -1.36 . . . . 0.0 107.997 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -73.26 -37.24 66.39 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.667 ' O ' ' N ' ' A' ' 37' ' ' ALA . 11.1 mtp -59.68 -40.63 88.47 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.67 -46.98 20.34 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.98 -50.29 66.94 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.592 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -68.34 -18.17 64.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.336 -0.853 . . . . 0.0 109.411 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -65.28 -71.23 0.19 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.246 -0.909 . . . . 0.0 110.832 -178.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.431 HD21 HH21 ' A' ' 62' ' ' ARG . 5.4 mt -64.28 -23.52 67.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.064 -1.023 . . . . 0.0 109.563 -178.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -62.58 -35.81 80.71 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.665 ' HB1' ' CG2' ' A' ' 44' ' ' THR . . . -57.66 -39.72 77.68 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 177.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -48.3 -36.64 14.61 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -98.21 -1.26 42.46 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.67 -0.644 . . . . 0.0 112.323 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.42 90.06 0.71 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.344 -1.472 . . . . 0.0 109.413 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.665 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -141.01 160.53 57.79 Favored Pre-proline 0 C--N 1.301 -1.526 0 O-C-N 121.468 -0.77 . . . . 0.0 108.949 -179.131 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.484 ' CG ' ' HE1' ' A' ' 7' ' ' TRP . 18.0 Cg_exo -32.24 -40.39 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.631 2.22 . . . . 0.0 114.833 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.532 ' O ' ' N ' ' A' ' 48' ' ' LEU . 57.5 Cg_endo -103.23 -0.71 0.33 Allowed 'Trans proline' 0 C--N 1.319 -0.975 0 C-N-CA 122.742 2.295 . . . . 0.0 113.271 -179.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' O ' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER 34.25 30.74 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.94 -0.475 . . . . 0.0 110.453 -179.44 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 46' ' ' PRO . 2.1 tm? 52.46 94.94 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 59.69 -165.69 0.19 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 25.0 t70 -146.54 49.79 1.15 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.612 -1.305 . . . . 0.0 109.676 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 52' ' ' SER . 23.0 pttt -164.55 -19.74 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.878 -1.139 . . . . 0.0 110.777 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER 85.22 76.13 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.863 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -52.36 -82.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.566 1.511 . . . . 0.0 111.557 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.539 ' O ' ' CB ' ' A' ' 55' ' ' SER . 80.4 m-20 -111.92 -43.83 3.54 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 55.1 p 113.49 -42.91 0.0 OUTLIER Pre-proline 0 N--CA 1.508 2.425 0 C-N-CA 123.867 0.867 . . . . 0.0 111.727 178.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.51 -33.56 4.02 Favored 'Trans proline' 0 N--CA 1.489 1.229 0 CA-C-N 121.464 1.559 . . . . 0.0 109.498 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -61.96 -14.15 32.16 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.866 0.841 . . . . 0.0 108.913 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.6 ttp -63.75 -35.21 79.83 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.152 -0.968 . . . . 0.0 108.595 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' ARG . 1.7 tptp -56.05 -34.43 65.9 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 63' ' ' HIS . 15.2 t70 -54.07 -44.83 71.46 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 178.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.408 ' CD1' HD23 ' A' ' 48' ' ' LEU . 5.3 t80 -55.85 -32.54 63.71 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 177.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 59' ' ' LYS . 17.5 ttt180 -57.7 -35.67 70.94 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 176.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 60' ' ' ASP . 27.4 t60 -50.98 -40.65 58.4 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.72 -44.24 81.73 Favored Glycine 0 N--CA 1.497 2.757 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.528 ' CZ ' HG21 ' A' ' 44' ' ' THR . 29.6 m-85 -70.72 -44.88 65.97 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' PHE . 66.7 t0 -37.86 -44.09 0.73 Allowed 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.615 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mt -68.59 -62.08 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.445 -0.784 . . . . 0.0 110.038 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 pp -58.08 -47.16 84.04 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.001 -1.062 . . . . 0.0 111.14 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' ' 72' ' ' ILE . 9.2 m -62.07 -21.25 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 120.187 -1.571 . . . . 0.0 109.626 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.75 -41.92 88.0 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -24.81 60.54 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.07 -1.253 . . . . 0.0 110.33 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 69' ' ' VAL . 79.4 mt -60.42 -57.81 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.75 -1.219 . . . . 0.0 107.778 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' LEU . 2.8 p30 -61.33 -37.44 83.27 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.769 -0.582 . . . . 0.0 109.653 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.65 -22.17 61.53 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.085 -1.634 . . . . 0.0 108.109 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.28 -33.57 69.86 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.493 HD23 HD22 ' A' ' 80' ' ' ASN . 5.8 tt -59.61 -39.96 85.98 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 177.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -63.37 -45.38 91.43 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 122.119 0.961 . . . . 0.0 109.895 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.4 mp -64.63 -54.61 29.16 Favored 'General case' 0 C--N 1.291 -1.952 0 O-C-N 121.829 -0.545 . . . . 0.0 109.978 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.08 -41.25 11.98 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.051 -1.031 . . . . 0.0 109.522 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.493 HD22 HD23 ' A' ' 76' ' ' LEU . 1.1 m-20 -62.63 -26.45 68.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.953 -1.092 . . . . 0.0 108.316 178.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 78' ' ' LEU . 46.0 tt0 -86.41 7.44 25.76 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.01 34.29 8.99 Favored Glycine 0 N--CA 1.495 2.595 0 O-C-N 121.116 -0.99 . . . . 0.0 111.333 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -95.39 72.08 3.22 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.78 -1.424 . . . . 0.0 109.342 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.613 HG22 ' HB2' ' A' ' 23' ' ' ALA . 59.2 t -62.57 -59.58 4.12 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 CA-C-O 121.307 0.575 . . . . 0.0 110.166 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -49.03 25.46 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.416 -0.802 . . . . 0.0 110.472 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -53.69 -44.02 69.42 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.593 -0.692 . . . . 0.0 109.812 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.94 83.96 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.906 -1.122 . . . . 0.0 109.664 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.739 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 45.1 mt-30 -62.95 -43.81 97.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.128 -0.983 . . . . 0.0 108.816 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.4 98.41 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.192 -0.942 . . . . 0.0 108.911 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.19 -25.52 67.09 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -62.72 -46.87 86.08 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -63.16 -12.86 30.89 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.486 -0.758 . . . . 0.0 109.013 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.594 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.39 -42.26 59.56 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.684 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -70.21 -35.77 74.11 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.718 -0.793 . . . . 0.0 109.317 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -56.25 -64.83 0.73 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.768 -1.208 . . . . 0.0 108.352 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.6 m -66.84 -20.97 66.03 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.292 -0.88 . . . . 0.0 110.454 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.594 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 18.6 m -50.12 -55.98 12.79 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.472 -1.392 . . . . 0.0 107.92 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.463 HG23 ' HB2' ' A' ' 104' ' ' LYS . 1.4 mp -58.19 -56.03 18.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -58.05 -50.37 73.68 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.53 -1.356 . . . . 0.0 111.033 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.83 73.42 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.029 -1.045 . . . . 0.0 110.148 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.506 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.5 m-30 -70.24 -1.74 11.22 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.7 t30 89.62 63.97 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 105.058 -2.201 . . . . 0.0 105.058 -176.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 102' ' ' ASN . 7.4 mm-40 47.76 54.4 9.93 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 -176.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.463 ' HB2' HG23 ' A' ' 98' ' ' ILE . 14.5 tptp 60.61 -84.63 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.365 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.88 11.32 1.6 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.599 -1.313 . . . . 0.0 109.054 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 CA-C-O 117.942 -1.477 . . . . 0.0 109.591 -179.836 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 1' ' ' ALA . 23.1 t70 51.47 166.4 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 122.322 1.058 . . . . 0.0 111.58 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.437 ' N ' ' CG ' ' A' ' 2' ' ' ASP . 2.0 mm? -58.18 -24.8 60.3 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.956 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.84 -16.69 4.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.879 -1.138 . . . . 0.0 109.191 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 8' ' ' GLU . 5.6 t70 -77.26 -42.56 36.62 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.253 -0.904 . . . . 0.0 109.952 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -50.2 -40.79 48.25 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 178.853 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.6 m95 -58.8 -37.35 76.16 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' ASP . 39.1 tt0 -60.34 -41.68 94.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.531 -0.731 . . . . 0.0 109.449 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.471 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 5.1 m -57.12 -52.04 66.88 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.451 HD12 ' HB1' ' A' ' 36' ' ' ALA . 5.7 mp -64.13 -28.13 69.56 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.613 0.721 . . . . 0.0 109.151 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -61.25 -65.62 0.66 Allowed 'General case' 0 C--N 1.293 -1.875 0 O-C-N 120.847 -1.158 . . . . 0.0 110.104 -178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -54.38 -21.22 9.0 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 9' ' ' THR . 17.9 m-80 -68.4 -64.12 0.93 Allowed 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 117.723 -1.591 . . . . 0.0 107.811 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.624 HD13 ' HB1' ' A' ' 91' ' ' ALA . 4.1 mm? -52.34 -31.27 32.6 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.341 -0.85 . . . . 0.0 108.971 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -58.5 -48.98 79.03 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.504 -0.747 . . . . 0.0 109.616 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.608 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.3 t -69.18 -57.69 7.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 120.815 -1.178 . . . . 0.0 111.002 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -49.93 -45.13 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 O-C-N 120.045 -1.66 . . . . 0.0 108.172 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 5.1 mm-40 -58.84 -27.16 64.85 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 177.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 16' ' ' VAL . 11.6 mtpp -127.28 36.22 4.44 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.709 -0.619 . . . . 0.0 109.614 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.608 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -62.81 -27.67 69.47 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.105 -0.997 . . . . 0.0 110.605 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER 71.59 -33.8 0.28 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.382 -0.824 . . . . 0.0 109.377 -178.77 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.498 ' H ' ' C ' ' A' ' 20' ' ' ALA . 2.7 m120 -153.5 154.36 34.21 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.212 -0.93 . . . . 0.0 109.658 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.64 -21.95 7.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.199 -0.938 . . . . 0.0 109.823 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -49.13 71.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.133 -0.98 . . . . 0.0 109.957 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.582 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 16.3 mp0 -72.69 -14.7 61.63 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.505 -1.372 . . . . 0.0 110.351 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.494 HG23 ' CB ' ' A' ' 20' ' ' ALA . 8.3 t -69.49 -57.08 9.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 120.903 -1.123 . . . . 0.0 108.457 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -29.73 67.16 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 0.0 109.603 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -62.06 2.14 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.001 -1.062 . . . . 0.0 108.789 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.477 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -54.84 -40.77 69.94 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.632 -0.667 . . . . 0.0 110.681 -179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.484 HD23 ' SD ' ' A' ' 33' ' ' MET . 17.1 mt -61.78 -34.27 75.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.489 -1.382 . . . . 0.0 109.984 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.8 m -65.44 -33.21 75.4 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.795 -1.19 . . . . 0.0 108.662 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.411 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 5.2 mmtt -73.51 -35.42 65.59 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.652 ' O ' ' N ' ' A' ' 37' ' ' ALA . 1.5 mtp -57.32 -43.02 82.93 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.567 HH12 ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -48.39 -48.65 36.72 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.794 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -56.22 14.1 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.347 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.451 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -65.7 -19.94 66.09 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.384 -0.822 . . . . 0.0 110.067 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.652 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.61 -73.57 0.13 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.056 -1.028 . . . . 0.0 110.633 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 12.3 mt -61.53 -21.85 64.62 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.415 -178.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -59.98 -40.46 89.21 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.657 ' HB1' ' CG2' ' A' ' 44' ' ' THR . . . -60.79 -31.51 70.88 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.7 OUTLIER -46.0 -32.67 2.9 Favored 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.456 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -112.58 17.83 18.87 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.483 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -168.66 87.83 0.2 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.549 -1.344 . . . . 0.0 108.895 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.657 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 1.2 p -138.93 160.11 64.24 Favored Pre-proline 0 N--CA 1.493 1.704 0 O-C-N 121.356 -0.84 . . . . 0.0 110.286 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -33.74 -41.01 0.18 Allowed 'Trans proline' 0 C--N 1.317 -1.112 0 C-N-CA 122.545 2.163 . . . . 0.0 113.681 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' LEU . 14.0 Cg_endo -98.5 3.92 1.2 Allowed 'Trans proline' 0 C--N 1.319 -1.001 0 C-N-CA 122.763 2.309 . . . . 0.0 111.76 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.57 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 37.98 25.96 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.996 -0.44 . . . . 0.0 109.858 -179.191 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.723 HD23 ' CD1' ' A' ' 61' ' ' PHE . 2.8 tm? 39.82 -89.32 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 47' ' ' LYS . 2.2 pt-20 -72.37 110.14 6.58 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.805 -1.184 . . . . 0.0 108.137 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 3.5 p-10 -91.86 0.41 57.48 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.296 -0.878 . . . . 0.0 108.645 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.691 ' CG ' ' H ' ' A' ' 52' ' ' SER . 8.6 pttp -164.93 -70.74 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.413 -0.804 . . . . 0.0 109.648 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.691 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 3.7 m -177.26 70.46 0.23 Allowed Pre-proline 0 C--N 1.309 -1.185 0 O-C-N 121.033 -1.042 . . . . 0.0 109.371 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -64.41 -78.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 121.886 1.724 . . . . 0.0 111.32 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 55' ' ' SER . 1.8 m-20 -132.47 -54.33 0.95 Allowed 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 53.4 p 112.94 -44.7 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.524 0 C-N-CA 123.691 0.797 . . . . 0.0 112.05 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -78.21 -38.35 0.61 Allowed 'Trans proline' 0 N--CA 1.49 1.305 0 CA-C-N 121.858 1.699 . . . . 0.0 109.606 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -58.96 -8.5 1.42 Allowed 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 61' ' ' PHE . 18.4 ttt -65.64 -51.23 61.16 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.14 -0.975 . . . . 0.0 109.156 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -53.01 -31.86 43.4 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.484 -1.385 . . . . 0.0 107.986 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 63' ' ' HIS . 6.2 t70 -56.75 -38.32 72.27 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.723 ' CD1' HD23 ' A' ' 48' ' ' LEU . 30.3 t80 -53.43 -35.51 60.54 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 177.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.601 ' O ' ' N ' ' A' ' 66' ' ' ASP . 14.4 ttt180 -56.4 -36.02 68.44 Favored 'General case' 0 C--O 1.204 -1.334 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 176.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 60' ' ' ASP . 7.1 t60 -50.46 -45.14 55.94 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.51 -48.05 59.2 Favored Glycine 0 N--CA 1.498 2.797 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CZ ' HG21 ' A' ' 44' ' ' THR . 0.8 OUTLIER -67.26 -32.82 74.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.489 -1.006 . . . . 0.0 109.028 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 62' ' ' ARG . 37.0 t70 -55.63 -39.95 71.51 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 mt -66.24 -64.32 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.374 -0.829 . . . . 0.0 109.905 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 pp -54.19 -44.78 71.86 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.263 -0.898 . . . . 0.0 109.92 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.567 ' CG1' HH12 ' A' ' 34' ' ' ARG . 84.8 t -67.73 -19.38 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 120.65 -1.281 . . . . 0.0 110.457 178.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.23 -49.49 32.69 Favored Glycine 0 N--CA 1.494 2.561 0 C-N-CA 120.217 -0.992 . . . . 0.0 111.061 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.531 ' CD ' ' NE2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -71.08 -25.24 62.53 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.925 -1.338 . . . . 0.0 110.101 -179.016 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.039 HD11 HD13 ' A' ' 94' ' ' LEU . 59.9 mt -61.84 -57.74 10.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 120.932 -1.105 . . . . 0.0 108.165 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.3 p30 -60.01 -37.53 79.97 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.401 -0.812 . . . . 0.0 109.037 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.522 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 61.4 t0 -59.76 -20.31 55.81 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 117.513 -1.675 . . . . 0.0 107.753 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 72' ' ' ILE . . . -71.83 -35.35 69.86 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 176.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.487 HD23 HD22 ' A' ' 80' ' ' ASN . 6.4 tt -58.59 -42.36 87.9 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -61.87 -48.1 82.02 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 122.4 1.095 . . . . 0.0 109.96 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.592 ' O ' ' N ' ' A' ' 81' ' ' GLU . 6.3 mp -62.64 -58.55 7.13 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.508 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.95 -34.1 1.58 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.083 -1.011 . . . . 0.0 110.043 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.487 HD22 HD23 ' A' ' 76' ' ' LEU . 4.6 m-20 -66.3 -28.36 68.63 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 78' ' ' LEU . 33.8 tt0 -85.71 3.29 41.81 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.41 39.65 6.28 Favored Glycine 0 N--CA 1.496 2.638 0 O-C-N 121.267 -0.896 . . . . 0.0 111.247 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -100.3 62.12 1.08 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.964 -1.315 . . . . 0.0 109.437 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.23 -41.36 86.61 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 O-C-N 121.5 -0.75 . . . . 0.0 110.499 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -50.23 20.0 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.025 -1.047 . . . . 0.0 110.279 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -40.76 97.46 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.72 -0.612 . . . . 0.0 110.277 -178.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.09 -47.9 82.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.003 -1.06 . . . . 0.0 109.87 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 23.4 mt-30 -64.0 -48.22 77.26 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.954 -1.091 . . . . 0.0 109.181 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.75 90.86 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.112 -0.993 . . . . 0.0 108.914 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.463 ' O ' ' CG ' ' A' ' 93' ' ' GLN . . . -60.55 -39.59 88.46 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.624 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -55.95 -43.0 77.04 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.989 -1.069 . . . . 0.0 108.155 178.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.09 -12.71 20.71 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.268 -0.895 . . . . 0.0 109.489 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.531 ' NE2' ' CD ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -76.61 -32.06 57.82 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 178.409 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.039 HD13 HD11 ' A' ' 72' ' ' ILE . 35.9 tp -66.29 -46.91 75.36 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.081 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.428 ' HD2' HD12 ' A' ' 14' ' ' LEU . 13.1 mtpt -53.84 -66.29 0.42 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.162 -0.962 . . . . 0.0 109.769 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 m -65.0 -30.75 71.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.146 -0.971 . . . . 0.0 110.936 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 93' ' ' GLN . 1.5 m -49.42 -57.41 7.01 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.658 -1.276 . . . . 0.0 108.901 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.53 -54.49 18.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.204 -0.935 . . . . 0.0 109.335 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -50.47 73.85 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.652 -1.28 . . . . 0.0 110.641 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.19 -29.16 70.18 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.0 -1.063 . . . . 0.0 109.646 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.5 m-30 -73.04 -3.65 27.53 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.1 t30 88.19 65.35 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 -176.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 102' ' ' ASN . 7.0 mm-40 47.29 54.9 8.86 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 -176.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.6 tptt 59.0 -84.49 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.231 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.72 15.98 1.11 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.398 -1.439 . . . . 0.0 108.851 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.124 0 CA-C-O 118.045 -1.42 . . . . 0.0 109.647 -179.31 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.555 0.693 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -75.34 -177.83 3.72 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.73 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -51.98 92.43 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.047 -1.033 . . . . 0.0 108.579 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 2' ' ' ASP . 9.7 pt-20 -173.72 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.573 -1.639 . . . . 0.0 106.573 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.75 -24.37 52.99 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 43' ' ' ALA . 0.1 OUTLIER -58.45 -43.45 88.82 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 105.088 -2.189 . . . . 0.0 105.088 177.889 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.456 ' HE1' ' HG3' ' A' ' 45' ' ' PRO . 2.9 m95 -58.48 -38.28 77.27 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' C ' ' OE1' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -60.68 -46.01 91.98 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.476 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 m -55.08 -52.31 63.61 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.611 HD22 ' HB1' ' A' ' 36' ' ' ALA . 4.3 mm? -64.21 -34.46 78.14 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' TRP . 45.8 t-20 -55.34 -64.01 0.98 Allowed 'General case' 0 C--N 1.292 -1.93 0 O-C-N 120.678 -1.264 . . . . 0.0 109.609 -179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.51 -21.88 11.37 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.894 -0.504 . . . . 0.0 109.832 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -67.77 -55.91 11.24 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 117.41 -1.716 . . . . 0.0 108.019 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.6 mm? -58.71 -31.25 68.09 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.977 0.894 . . . . 0.0 109.106 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -58.84 -53.96 52.46 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.816 -0.553 . . . . 0.0 110.916 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.582 ' O ' ' N ' ' A' ' 20' ' ' ALA . 4.8 t -66.87 -52.54 43.46 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 120.597 -1.314 . . . . 0.0 111.797 -178.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -45.81 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.343 0 O-C-N 119.945 -1.722 . . . . 0.0 107.887 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 5.3 mm-40 -60.97 -26.22 67.39 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -124.42 36.18 4.66 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.595 ' O ' ' NE2' ' A' ' 25' ' ' GLN . . . -62.18 -33.44 74.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.679 -0.638 . . . . 0.0 111.041 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 1.7 m-20 72.11 -32.25 0.24 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.46 -0.775 . . . . 0.0 109.28 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.511 ' H ' ' C ' ' A' ' 20' ' ' ALA . 1.8 m120 -152.74 149.04 27.95 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.213 -0.929 . . . . 0.0 109.555 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.7 -17.18 2.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.287 -0.883 . . . . 0.0 109.212 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.56 -56.64 7.63 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.065 -1.022 . . . . 0.0 109.905 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.595 ' NE2' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -65.1 -10.85 33.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.929 -1.107 . . . . 0.0 110.413 -179.065 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.455 HG23 ' CB ' ' A' ' 20' ' ' ALA . 13.8 t -71.31 -51.15 36.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 178.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -55.54 -38.45 69.31 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.793 0.806 . . . . 0.0 109.281 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.44 -61.51 2.44 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.53 71.42 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.827 -0.749 . . . . 0.0 110.659 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.52 -30.64 69.86 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.891 -1.131 . . . . 0.0 110.025 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 m -68.18 -34.22 75.9 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.461 -1.399 . . . . 0.0 108.357 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -71.45 -34.79 70.57 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.717 ' O ' ' N ' ' A' ' 37' ' ' ALA . 16.8 mtt -57.01 -47.74 80.12 Favored 'General case' 0 C--O 1.199 -1.571 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' NH2' ' O ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -44.61 -49.8 10.05 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.056 -1.027 . . . . 0.0 108.535 179.269 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.69 -57.88 5.04 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.426 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.611 ' HB1' HD22 ' A' ' 10' ' ' LEU . . . -62.27 -25.62 67.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.337 -0.852 . . . . 0.0 110.005 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.717 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -64.94 -69.45 0.29 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.195 -0.941 . . . . 0.0 110.322 -179.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.439 HD22 ' NE ' ' A' ' 62' ' ' ARG . 19.5 mt -63.38 -21.1 66.08 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.151 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.69 -39.88 95.4 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 106.025 -1.843 . . . . 0.0 106.025 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.93 -32.04 67.4 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -50.4 -37.93 40.23 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 177.707 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -100.02 9.24 43.2 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.385 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.457 ' O ' ' ND2' ' A' ' 6' ' ' ASN . . . -165.79 75.68 0.22 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.449 HG23 ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -116.51 154.6 49.1 Favored Pre-proline 0 N--CA 1.494 1.748 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -178.517 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.456 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 31.9 Cg_exo -33.67 -40.9 0.17 Allowed 'Trans proline' 0 N--CA 1.487 1.124 0 C-N-CA 122.345 2.03 . . . . 0.0 113.785 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' A' ' 48' ' ' LEU . 12.0 Cg_endo -97.5 8.74 1.25 Allowed 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.962 2.441 . . . . 0.0 111.731 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.579 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 41.28 22.85 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.663 -0.648 . . . . 0.0 109.316 -178.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.679 HD13 ' N ' ' A' ' 49' ' ' GLU . 3.4 tm? 45.69 -89.64 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.679 ' N ' HD13 ' A' ' 48' ' ' LEU . 1.6 pt-20 -64.95 106.27 1.2 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.962 -1.086 . . . . 0.0 108.696 178.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' OD1' ' NZ ' ' A' ' 47' ' ' LYS . 20.6 t70 -92.99 1.75 57.15 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.62 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -166.1 -78.71 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.848 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.62 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 14.3 m -172.32 71.54 0.44 Allowed Pre-proline 0 C--N 1.307 -1.27 0 O-C-N 121.258 -0.901 . . . . 0.0 109.109 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.92 -73.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.736 2.291 . . . . 0.0 110.907 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' A' ' 55' ' ' SER . 24.0 m-20 -136.69 -50.45 0.66 Allowed 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.491 ' HB3' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 99.3 -59.94 0.0 OUTLIER Pre-proline 0 N--CA 1.512 2.661 0 C-N-CA 125.368 1.467 . . . . 0.0 110.243 179.6 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.485 ' C ' ' H ' ' A' ' 58' ' ' MET . 27.8 Cg_exo -62.77 -51.1 3.32 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 CA-C-N 121.311 1.504 . . . . 0.0 110.743 177.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -2.9 0.09 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.682 -0.636 . . . . 0.0 109.438 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.485 ' H ' ' C ' ' A' ' 56' ' ' PRO . 23.7 ttt -61.93 -41.21 97.69 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.954 -1.091 . . . . 0.0 108.744 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 62' ' ' ARG . 0.4 OUTLIER -56.48 -33.98 66.48 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.542 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' HIS . 9.6 t70 -53.56 -38.52 63.96 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 107.119 -1.438 . . . . 0.0 107.119 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.573 ' CD1' HD23 ' A' ' 48' ' ' LEU . 6.6 t80 -54.62 -33.67 60.87 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.581 ' O ' ' N ' ' A' ' 66' ' ' ASP . 23.2 ttt180 -54.77 -38.33 67.1 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 106.997 -1.482 . . . . 0.0 106.997 176.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 60' ' ' ASP . 8.7 t60 -51.79 -36.34 47.28 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.24 -48.51 38.12 Favored Glycine 0 N--CA 1.502 3.035 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.608 ' O ' HG22 ' A' ' 69' ' ' VAL . 3.0 m-85 -68.06 -37.63 81.53 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 62' ' ' ARG . 19.5 t70 -46.12 -40.52 11.1 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.4 mt -65.94 -65.19 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.591 -0.693 . . . . 0.0 109.827 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 69' ' ' VAL . 2.4 pp -56.24 -50.55 71.0 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.241 -0.912 . . . . 0.0 110.88 -178.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 65' ' ' PHE . 5.9 m -63.72 -17.25 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 120.331 -1.481 . . . . 0.0 110.308 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.46 -53.94 18.5 Favored Glycine 0 N--CA 1.497 2.75 0 O-C-N 121.244 -0.91 . . . . 0.0 110.925 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -68.68 -19.28 64.38 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.695 -1.473 . . . . 0.0 109.425 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 1.043 HD11 HD13 ' A' ' 94' ' ' LEU . 6.6 mt -60.96 -63.02 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.8 p30 -55.74 -34.61 65.32 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 64.2 t0 -58.31 -20.67 44.9 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 117.776 -1.569 . . . . 0.0 107.73 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.33 -36.04 68.74 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 73' ' ' ASP . 6.4 tt -58.36 -41.81 85.55 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 177.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -60.97 -47.26 87.26 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.636 1.207 . . . . 0.0 109.436 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.5 mp -64.56 -57.84 8.02 Favored 'General case' 0 C--N 1.287 -2.152 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.621 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.66 -35.47 2.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.212 -0.93 . . . . 0.0 110.082 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.6 m120 -65.26 -29.65 70.45 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.742 -1.223 . . . . 0.0 107.849 178.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 78' ' ' LEU . 29.1 tt0 -84.78 3.5 37.3 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.77 41.77 5.9 Favored Glycine 0 N--CA 1.498 2.812 0 O-C-N 121.199 -0.938 . . . . 0.0 111.346 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -99.02 64.56 1.41 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.954 -1.321 . . . . 0.0 109.182 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.9 t -60.93 -47.36 93.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.772 -0.58 . . . . 0.0 110.693 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.456 ' H ' ' HG2' ' A' ' 85' ' ' LYS . 11.4 ptmt -76.02 -50.98 13.32 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.024 -1.048 . . . . 0.0 110.27 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -42.64 99.3 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.282 -178.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.7 86.98 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.853 -1.155 . . . . 0.0 109.384 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.671 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 27.0 mt-30 -64.44 -40.96 96.74 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.096 -1.003 . . . . 0.0 109.104 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.46 84.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.944 -1.098 . . . . 0.0 108.316 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.74 -24.46 65.73 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -61.64 -51.0 70.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.533 -0.729 . . . . 0.0 109.151 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 88' ' ' GLN . 1.8 mp0 -59.93 -14.11 14.19 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.018 -1.051 . . . . 0.0 109.262 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.456 ' OE1' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -73.05 -40.71 64.86 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.207 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 1.043 HD13 HD11 ' A' ' 72' ' ' ILE . 20.5 tp -67.67 -39.78 84.47 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.864 -1.148 . . . . 0.0 109.898 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -54.46 -73.45 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.155 -0.966 . . . . 0.0 110.768 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.0 m -65.9 -17.77 64.88 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.682 -1.261 . . . . 0.0 110.755 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.456 ' OG1' ' OE1' ' A' ' 93' ' ' GLN . 1.3 m -50.43 -60.57 2.87 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.568 -1.332 . . . . 0.0 107.61 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.3 mp -55.14 -48.65 75.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.47 -0.769 . . . . 0.0 108.984 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 ttp85 -61.69 -49.64 75.69 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.521 -1.362 . . . . 0.0 110.712 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.45 -30.86 71.89 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.894 -1.129 . . . . 0.0 110.504 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.6 m-30 -70.41 -1.89 12.07 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.2 t30 89.82 61.77 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 104.553 -2.388 . . . . 0.0 104.553 -176.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 102' ' ' ASN . 6.3 mm-40 46.27 55.47 7.29 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.549 -1.649 . . . . 0.0 106.549 -175.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 98' ' ' ILE . 36.9 tptt 59.46 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 114.148 -1.387 . . . . 0.0 109.352 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.26 18.76 1.73 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.575 -1.328 . . . . 0.0 108.161 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.141 0 CA-C-O 117.969 -1.462 . . . . 0.0 109.613 -179.217 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 3' ' ' LEU . 45.9 t0 -79.49 177.89 8.53 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.198 -0.939 . . . . 0.0 110.168 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.491 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 3.4 mm? -51.01 -51.3 54.42 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pm0 -60.3 -30.68 69.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.208 -0.933 . . . . 0.0 110.013 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 5' ' ' ASP . 62.4 t0 -74.61 -35.84 62.96 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.906 -1.121 . . . . 0.0 109.825 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.84 -41.66 61.98 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.544 ' HE1' ' HG3' ' A' ' 45' ' ' PRO . 2.8 m95 -58.79 -39.88 82.36 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 177.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.45 -45.96 90.13 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 m -56.29 -52.46 64.43 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.26 -25.71 67.78 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.553 0.692 . . . . 0.0 109.355 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 7' ' ' TRP . 54.6 t30 -64.14 -66.12 0.59 Allowed 'General case' 0 C--N 1.292 -1.928 0 O-C-N 120.847 -1.158 . . . . 0.0 109.988 -179.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -53.45 -20.56 4.86 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.553 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -64.03 -59.52 4.37 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 118.069 -1.452 . . . . 0.0 108.281 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.668 HD21 HD23 ' A' ' 94' ' ' LEU . 3.1 mm? -58.57 -34.62 71.26 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.475 -0.765 . . . . 0.0 109.279 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -56.04 -46.73 78.77 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.691 -0.63 . . . . 0.0 110.322 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.633 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.8 t -68.84 -58.36 6.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 120.768 -1.208 . . . . 0.0 111.048 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -48.3 -46.48 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 120.256 -1.527 . . . . 0.0 108.211 -179.184 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' OE2' ' NZ ' ' A' ' 95' ' ' LYS . 1.5 mm-40 -58.93 -30.34 67.78 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 16' ' ' VAL . 15.6 mtpp -127.18 38.9 4.0 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.53 -0.731 . . . . 0.0 110.081 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.633 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.95 -22.04 66.93 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.256 -0.903 . . . . 0.0 110.371 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.19 -34.38 0.27 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.43 -0.794 . . . . 0.0 109.19 -178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.534 ' H ' ' C ' ' A' ' 20' ' ' ALA . 5.6 m120 -152.86 149.79 28.65 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.35 -0.844 . . . . 0.0 109.44 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.3 -15.72 0.42 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.913 . . . . 0.0 109.688 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -54.85 16.42 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.9 -1.125 . . . . 0.0 110.478 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.03 -15.73 62.65 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.844 -1.16 . . . . 0.0 110.114 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.547 HG23 ' CB ' ' A' ' 20' ' ' ALA . 11.1 t -69.93 -49.92 52.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -54.58 -38.41 66.68 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.831 0.824 . . . . 0.0 109.505 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -64.4 0.9 Allowed 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.803 -0.561 . . . . 0.0 110.17 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.436 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -49.83 -49.08 50.3 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.478 -0.764 . . . . 0.0 110.906 -178.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.554 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 47.0 mt -57.89 -37.9 74.82 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.789 -1.194 . . . . 0.0 109.478 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.0 m -62.26 -33.31 74.37 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.285 -1.51 . . . . 0.0 109.029 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -73.28 -37.36 66.29 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.623 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -57.34 -42.24 81.6 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.293 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.638 HH22 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -49.71 -51.02 41.66 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 177.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.46 -54.52 13.89 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.99 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.22 -26.1 68.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.111 -0.993 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.623 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -64.85 -66.8 0.5 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 110.896 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.26 -19.96 56.99 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.047 -1.061 . . . . 0.0 109.358 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -62.52 -40.18 95.94 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.04 -29.42 69.72 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.551 ' NE2' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -48.29 -44.37 33.71 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 178.603 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -100.98 15.25 29.29 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 121.255 0.55 . . . . 0.0 109.719 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.82 63.12 0.11 Allowed 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -106.03 154.58 39.44 Favored Pre-proline 0 C--N 1.298 -1.646 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -178.457 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.544 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 13.2 Cg_exo -31.85 -40.88 0.1 Allowed 'Trans proline' 0 N--CA 1.487 1.143 0 C-N-CA 122.667 2.244 . . . . 0.0 114.408 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.486 ' HD2' HG23 ' A' ' 44' ' ' THR . 20.3 Cg_endo -97.73 -7.24 0.84 Allowed 'Trans proline' 0 C--N 1.316 -1.179 0 C-N-CA 122.596 2.197 . . . . 0.0 111.387 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.589 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.2 mtpp 67.89 -4.15 1.05 Allowed 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.659 HD23 ' CG ' ' A' ' 61' ' ' PHE . 2.9 tm? 65.13 -56.47 0.3 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 106.595 -1.632 . . . . 0.0 106.595 -177.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' A' ' 47' ' ' LYS . 60.7 mt-10 -91.66 104.48 16.94 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 177.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.51 -4.36 51.23 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.074 -1.016 . . . . 0.0 108.359 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.571 ' HG2' ' H ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -167.06 -75.51 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.728 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.571 ' H ' ' HG2' ' A' ' 51' ' ' LYS . 11.2 m -171.88 60.55 0.3 Allowed Pre-proline 0 C--N 1.306 -1.287 0 O-C-N 121.349 -0.844 . . . . 0.0 109.75 178.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 52' ' ' SER . 50.2 Cg_exo -51.95 -73.15 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.957 1.771 . . . . 0.0 111.453 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.551 ' O ' ' CB ' ' A' ' 55' ' ' SER . 2.4 m-20 -139.18 -60.6 0.57 Allowed 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 60.4 p 114.69 -43.48 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.477 0 C-N-CA 123.849 0.86 . . . . 0.0 111.291 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.468 ' C ' ' H ' ' A' ' 58' ' ' MET . 3.3 Cg_exo -77.63 -42.39 0.27 Allowed 'Trans proline' 0 N--CA 1.491 1.342 0 CA-C-N 121.346 1.516 . . . . 0.0 109.811 177.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -58.9 -2.82 0.27 Allowed 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.398 0.618 . . . . 0.0 109.408 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.551 ' SD ' ' NE2' ' A' ' 41' ' ' GLN . 7.1 tmm? -67.7 -53.65 25.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.876 -1.14 . . . . 0.0 109.682 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 62' ' ' ARG . 18.0 tptt -54.03 -35.99 62.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.587 -1.32 . . . . 0.0 108.502 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.6 -33.46 66.25 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.659 ' CG ' HD23 ' A' ' 48' ' ' LEU . 7.7 t80 -56.98 -32.39 66.03 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 177.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 59' ' ' LYS . 19.8 ttp180 -54.67 -45.74 73.95 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -28.76 7.81 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.07 -50.11 19.09 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 108.107 -1.997 . . . . 0.0 108.107 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -71.87 -35.93 69.95 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' ARG . 16.3 t0 -53.99 -39.8 66.37 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -178.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mm -66.73 -63.09 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.508 -0.745 . . . . 0.0 110.536 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.5 pp -52.99 -44.03 66.9 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.04 -1.038 . . . . 0.0 109.248 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -14.99 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 120.675 -1.266 . . . . 0.0 109.079 178.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.03 -60.94 4.89 Favored Glycine 0 N--CA 1.485 1.918 0 C-N-CA 119.818 -1.182 . . . . 0.0 111.59 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.595 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -70.06 -22.36 63.08 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.601 -1.529 . . . . 0.0 109.724 -178.599 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.726 HD11 HD13 ' A' ' 94' ' ' LEU . 40.6 mt -63.53 -59.78 3.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.984 -1.073 . . . . 0.0 108.294 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -57.23 -34.82 68.96 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -61.58 -20.74 63.65 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.206 -1.559 . . . . 0.0 107.808 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.1 -33.78 68.13 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 176.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 76' ' ' LEU . 4.4 tt -58.3 -39.17 78.63 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 177.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -63.12 -46.26 88.11 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 122.347 1.07 . . . . 0.0 109.476 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.6 mp -64.4 -54.85 26.31 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.436 ' HA ' ' H ' ' A' ' 83' ' ' LYS . . . -45.86 -32.61 2.71 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.063 -1.023 . . . . 0.0 109.799 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -63.19 -31.63 72.82 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 78' ' ' LEU . 2.5 tp10 -84.84 3.83 36.0 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.7 47.58 5.3 Favored Glycine 0 N--CA 1.496 2.658 0 O-C-N 121.178 -0.951 . . . . 0.0 111.029 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' H ' ' HA ' ' A' ' 79' ' ' ALA . 14.6 mmtp -102.0 68.78 1.14 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.119 -1.224 . . . . 0.0 110.013 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.0 t -63.83 -40.15 88.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 O-C-N 121.698 -0.626 . . . . 0.0 110.114 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -55.29 6.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.11 -0.994 . . . . 0.0 110.385 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.56 -40.98 96.66 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.611 -0.68 . . . . 0.0 110.065 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.32 -50.5 67.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.059 -1.026 . . . . 0.0 110.328 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.656 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 25.8 mt-30 -62.33 -39.77 94.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.904 -1.123 . . . . 0.0 108.893 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.98 92.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.844 -1.16 . . . . 0.0 108.04 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.61 -20.72 61.43 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.88 -52.65 55.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.664 -0.648 . . . . 0.0 109.565 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.89 -13.24 14.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.283 -0.886 . . . . 0.0 108.857 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.439 ' OE1' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.95 -40.04 61.0 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 178.589 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.726 HD13 HD11 ' A' ' 72' ' ' ILE . 39.6 tp -68.3 -45.02 74.14 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.278 -0.889 . . . . 0.0 109.126 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.424 ' NZ ' ' OE2' ' A' ' 18' ' ' GLU . 17.5 mttt -54.24 -66.61 0.37 Allowed 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.985 -1.072 . . . . 0.0 110.087 -179.189 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -65.64 -23.42 66.8 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.124 -0.985 . . . . 0.0 110.662 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.439 ' OG1' ' OE1' ' A' ' 93' ' ' GLN . 1.5 m -50.03 -58.27 5.85 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.652 -1.28 . . . . 0.0 108.02 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.4 mp -55.92 -55.52 17.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.585 -0.697 . . . . 0.0 109.284 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.614 ' HE ' ' C ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -58.65 -50.87 72.26 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.67 -1.269 . . . . 0.0 110.638 -179.097 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.89 -31.02 71.28 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.853 -1.154 . . . . 0.0 109.624 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.485 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.0 m-30 -72.52 -4.09 28.48 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.1 t30 88.97 63.8 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 104.56 -2.385 . . . . 0.0 104.56 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 102' ' ' ASN . 7.6 mm-40 46.99 58.95 4.32 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 -175.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' ILE . 29.1 tptt 58.27 -80.75 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.22 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -144.37 5.34 1.25 Allowed 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.473 -1.392 . . . . 0.0 109.088 178.612 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 CA-C-O 117.937 -1.479 . . . . 0.0 109.591 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.243 0.544 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -78.45 175.62 10.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.242 -0.911 . . . . 0.0 109.516 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -54.99 -46.28 75.11 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.969 -1.082 . . . . 0.0 109.856 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -62.07 -15.05 42.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.26 -0.9 . . . . 0.0 111.015 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -75.96 -36.02 59.44 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.175 -1.578 . . . . 0.0 108.872 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -52.4 -39.75 61.29 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 178.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.502 ' HE1' ' HG3' ' A' ' 45' ' ' PRO . 2.1 m95 -59.58 -38.27 80.74 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 5' ' ' ASP . 36.0 tt0 -57.9 -43.54 86.19 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.516 -0.74 . . . . 0.0 109.328 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.493 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.7 m -57.1 -54.5 46.05 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.467 HD12 ' HB1' ' A' ' 36' ' ' ALA . 6.2 mp -65.13 -27.56 68.82 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 7' ' ' TRP . 48.0 t-20 -60.89 -65.19 0.73 Allowed 'General case' 0 C--N 1.292 -1.925 0 O-C-N 120.699 -1.251 . . . . 0.0 110.058 -179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.88 -19.3 6.28 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.875 -0.516 . . . . 0.0 109.874 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 9' ' ' THR . 11.2 m-80 -67.54 -57.96 5.55 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 117.748 -1.581 . . . . 0.0 108.469 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.7 mm? -57.16 -31.11 65.06 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.036 -1.04 . . . . 0.0 108.837 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -59.8 -48.53 81.3 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.692 -0.63 . . . . 0.0 110.557 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.5 t -68.49 -56.47 12.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 120.692 -1.255 . . . . 0.0 111.133 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.472 HD11 ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -49.2 -45.41 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 O-C-N 120.302 -1.499 . . . . 0.0 107.938 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 11.4 mm-40 -59.76 -27.58 66.65 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 16' ' ' VAL . 9.1 mtpp -127.8 34.17 4.68 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.548 -0.72 . . . . 0.0 110.327 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.629 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.67 -21.07 66.64 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.011 -1.055 . . . . 0.0 110.535 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 19' ' ' LYS . 0.9 OUTLIER 69.11 -32.45 0.22 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.635 -0.666 . . . . 0.0 109.531 -178.835 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.535 ' H ' ' C ' ' A' ' 20' ' ' ALA . 3.9 m120 -153.4 150.56 28.96 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.24 -0.913 . . . . 0.0 109.855 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.729 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -51.89 -13.84 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.93 . . . . 0.0 108.814 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' A' ' 22' ' ' ASN . . . -67.07 -61.12 2.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.231 -0.918 . . . . 0.0 110.113 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.417 ' OE1' ' O ' ' A' ' 20' ' ' ALA . 1.0 OUTLIER -66.54 -10.5 45.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.889 -1.132 . . . . 0.0 110.292 -179.189 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.523 HG23 ' CB ' ' A' ' 20' ' ' ALA . 12.4 t -70.35 -58.87 4.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 120.859 -1.151 . . . . 0.0 108.165 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 14.4 ptmt -57.2 -31.01 65.02 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.569 -0.707 . . . . 0.0 109.84 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.24 -61.31 2.44 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.124 -0.985 . . . . 0.0 109.051 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.518 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -49.41 -43.84 44.77 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.303 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.536 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 14.8 mt -60.93 -37.27 81.72 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.837 -1.164 . . . . 0.0 110.172 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -62.86 -29.14 70.52 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.675 -1.266 . . . . 0.0 108.35 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -72.48 -39.29 67.82 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.696 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.2 mtm -57.67 -42.58 83.86 Favored 'General case' 0 C--O 1.199 -1.586 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.595 HH22 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -46.99 -47.27 22.0 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.899 -1.126 . . . . 0.0 108.081 178.792 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.1 -55.82 11.08 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.467 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -65.6 -19.05 65.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.433 -0.792 . . . . 0.0 109.884 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.696 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -65.41 -71.68 0.18 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.195 -0.941 . . . . 0.0 110.323 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.631 ' CD2' ' HE ' ' A' ' 62' ' ' ARG . 8.2 mt -64.16 -19.04 65.03 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.148 -1.021 . . . . 0.0 109.355 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -63.98 -40.89 97.41 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -59.0 -31.58 68.93 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -47.71 -40.17 19.56 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 177.618 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.659 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 36.2 mmtt -98.73 107.59 20.07 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . 80.58 73.42 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 122.132 0.967 . . . . 0.0 109.418 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.404 ' C ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -113.48 161.44 27.28 Favored Pre-proline 0 N--CA 1.5 2.055 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.723 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.502 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 32.1 Cg_exo -33.44 -41.0 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.975 1.783 . . . . 0.0 114.099 -178.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' LEU . 25.3 Cg_endo -100.28 10.61 0.61 Allowed 'Trans proline' 0 C--N 1.316 -1.174 0 C-N-CA 123.094 2.529 . . . . 0.0 110.961 178.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.624 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 40.71 26.12 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.117 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.634 HD23 ' CD1' ' A' ' 61' ' ' PHE . 3.5 tm? 39.61 -86.47 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.624 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.9 pt-20 -71.41 105.68 3.64 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.86 -1.15 . . . . 0.0 108.682 178.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -91.15 -3.59 56.91 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.699 ' CG ' ' H ' ' A' ' 52' ' ' SER . 9.6 pttp -164.95 -68.68 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.699 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 3.3 m -179.22 63.45 0.14 Allowed Pre-proline 0 C--N 1.308 -1.205 0 O-C-N 121.206 -0.934 . . . . 0.0 109.554 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.85 -73.95 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.067 1.845 . . . . 0.0 111.742 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.9 OUTLIER -140.11 -61.12 0.52 Allowed 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 26.4 p 111.0 -43.61 0.0 OUTLIER Pre-proline 0 N--CA 1.507 2.413 0 C-N-CA 123.881 0.872 . . . . 0.0 110.993 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD3' ' OG ' ' A' ' 55' ' ' SER . 19.6 Cg_exo -66.26 -37.07 25.67 Favored 'Trans proline' 0 N--CA 1.49 1.289 0 CA-C-N 121.367 1.524 . . . . 0.0 109.179 177.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.658 ' O ' ' N ' ' A' ' 60' ' ' ASP . 22.1 tt0 -57.53 -64.46 0.89 Allowed 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.546 ' C ' ' O ' ' A' ' 57' ' ' GLU . 11.1 ttt 8.23 -77.17 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.428 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 178.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.553 ' O ' ' N ' ' A' ' 62' ' ' ARG . 18.7 tptt -51.27 -39.64 57.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.178 -0.951 . . . . 0.0 109.101 -179.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.658 ' N ' ' O ' ' A' ' 57' ' ' GLU . 7.6 t0 -53.48 -35.17 60.28 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 178.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.634 ' CD1' HD23 ' A' ' 48' ' ' LEU . 10.4 t80 -55.21 -36.86 66.41 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 177.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.631 ' HE ' ' CD2' ' A' ' 38' ' ' LEU . 17.3 ttt180 -52.42 -36.11 53.55 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 60' ' ' ASP . 9.8 t60 -51.32 -34.66 34.54 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.49 -48.66 42.74 Favored Glycine 0 N--CA 1.497 2.723 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 178.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -72.44 -43.32 63.96 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.393 -1.063 . . . . 0.0 108.27 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 62' ' ' ARG . 50.0 t0 -46.93 -44.01 19.5 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.3 mm -62.33 -66.34 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.363 -0.836 . . . . 0.0 109.245 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -37.02 70.39 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.165 -0.959 . . . . 0.0 109.504 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.415 HG22 ' HB1' ' A' ' 37' ' ' ALA . 54.7 t -68.19 -21.11 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 120.859 -1.151 . . . . 0.0 110.169 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.5 -48.91 21.49 Favored Glycine 0 N--CA 1.495 2.606 0 O-C-N 121.117 -0.989 . . . . 0.0 110.967 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.414 ' CD ' ' NE2' ' A' ' 93' ' ' GLN . 1.9 pt20 -71.57 -26.43 62.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.868 -1.372 . . . . 0.0 110.642 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.595 HG21 HH22 ' A' ' 34' ' ' ARG . 25.7 mt -60.55 -60.08 3.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 1.9 p30 -56.48 -32.0 64.58 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 48.1 t0 -61.95 -22.79 65.92 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 117.754 -1.579 . . . . 0.0 108.012 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.88 -34.86 72.03 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 105.777 -1.934 . . . . 0.0 105.777 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 76' ' ' LEU . 5.1 tt -59.32 -42.34 91.18 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 106.773 -1.565 . . . . 0.0 106.773 177.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -62.47 -45.95 90.7 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 122.257 1.027 . . . . 0.0 110.001 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.7 mp -63.49 -52.88 59.38 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.88 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.8 -42.47 17.13 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.031 -1.043 . . . . 0.0 109.42 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -61.76 -25.71 67.63 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 78' ' ' LEU . 66.2 tt0 -87.04 5.88 35.28 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.52 38.88 7.43 Favored Glycine 0 N--CA 1.497 2.723 0 O-C-N 121.378 -0.826 . . . . 0.0 111.392 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -100.28 68.96 1.45 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.936 -1.332 . . . . 0.0 109.808 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.729 HG22 ' HB2' ' A' ' 23' ' ' ALA . 64.7 t -63.53 -52.75 53.91 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 121.717 -0.614 . . . . 0.0 110.135 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.51 -49.69 21.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.22 -0.925 . . . . 0.0 110.405 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -57.08 -43.76 82.47 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.666 -0.646 . . . . 0.0 109.636 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.85 97.87 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.038 -1.039 . . . . 0.0 109.142 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.577 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 23.3 mt-30 -64.76 -39.24 93.28 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.236 -0.915 . . . . 0.0 108.629 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.26 96.04 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.17 -22.2 65.7 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.29 -53.33 50.57 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.231 -0.918 . . . . 0.0 109.02 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' A' ' 88' ' ' GLN . 2.2 mp0 -58.64 -15.74 13.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.889 -1.132 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.448 ' OE1' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.06 -37.86 64.12 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.456 HD23 HD21 ' A' ' 14' ' ' LEU . 20.9 tp -67.94 -41.2 82.89 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.885 0.85 . . . . 0.0 109.986 178.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -56.4 -65.67 0.57 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.711 -1.243 . . . . 0.0 109.296 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -65.6 -21.96 66.63 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.282 -0.886 . . . . 0.0 110.273 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.448 ' OG1' ' OE1' ' A' ' 93' ' ' GLN . 3.2 m -49.31 -57.93 5.96 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.577 -1.327 . . . . 0.0 108.328 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.42 HD12 ' H ' ' A' ' 98' ' ' ILE . 2.8 mp -58.76 -53.85 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.68 -0.637 . . . . 0.0 110.075 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -60.87 -50.14 74.62 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.688 -1.258 . . . . 0.0 110.777 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.0 -31.25 71.6 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.906 -1.121 . . . . 0.0 109.715 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.0 m-30 -72.09 -4.9 31.61 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.8 t30 88.7 66.11 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 -176.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 102' ' ' ASN . 6.5 mm-40 46.88 54.79 8.67 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 -176.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.2 tptp 60.06 -81.76 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 114.196 -1.365 . . . . 0.0 110.104 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.17 7.12 1.98 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.476 -1.39 . . . . 0.0 108.937 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.454 0.645 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.519 ' CG ' ' H ' ' A' ' 3' ' ' LEU . 14.8 t70 -81.82 -173.37 4.42 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.795 0.807 . . . . 0.0 110.565 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.519 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER -49.26 -28.53 4.77 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.8 -10.31 2.31 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.165 -0.96 . . . . 0.0 109.314 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 8' ' ' GLU . 1.5 p30 -76.13 -47.88 22.73 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.183 -0.948 . . . . 0.0 110.435 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -48.4 -38.74 20.35 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 179.211 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.53 ' HE1' ' HG3' ' A' ' 45' ' ' PRO . 2.0 m95 -59.82 -40.97 90.21 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 5' ' ' ASP . 30.9 tt0 -57.66 -44.05 85.4 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.487 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.3 m -55.92 -54.33 46.07 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.43 HD12 ' HB1' ' A' ' 36' ' ' ALA . 4.7 mp -65.09 -30.89 71.88 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 7' ' ' TRP . 46.3 t-20 -60.28 -64.71 0.86 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 120.927 -1.108 . . . . 0.0 109.814 -179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.41 -22.52 7.79 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.552 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 9' ' ' THR . 17.6 m-80 -70.56 -65.02 0.79 Allowed 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 118.485 -1.286 . . . . 0.0 108.735 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.1 mm? -53.54 -31.97 48.64 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.069 -1.019 . . . . 0.0 108.466 178.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -59.16 -50.95 72.08 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.419 0.628 . . . . 0.0 110.063 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.669 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.5 t -64.93 -52.62 51.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.059 -1.026 . . . . 0.0 110.455 -178.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -51.42 -49.78 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 119.987 -1.695 . . . . 0.0 107.485 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.51 -30.67 54.26 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -129.16 39.17 3.81 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.429 -0.795 . . . . 0.0 110.223 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.669 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -66.16 -24.76 66.71 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.053 -1.029 . . . . 0.0 110.962 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 70.08 -34.21 0.28 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.477 -0.764 . . . . 0.0 109.391 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.522 ' H ' ' C ' ' A' ' 20' ' ' ALA . 5.8 m120 -152.99 152.18 31.11 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.246 -0.909 . . . . 0.0 109.68 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.69 -17.81 1.5 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 109.681 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.74 -54.67 20.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.962 -1.086 . . . . 0.0 110.39 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.45 -16.48 63.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.848 -1.158 . . . . 0.0 109.995 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.554 HG23 ' CB ' ' A' ' 20' ' ' ALA . 5.5 t -70.04 -53.36 24.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 107.489 -1.301 . . . . 0.0 107.489 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -56.34 -36.45 68.77 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.716 0.769 . . . . 0.0 109.867 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 -62.82 1.49 Allowed 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.789 -0.57 . . . . 0.0 109.946 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.418 ' HB2' HG11 ' A' ' 16' ' ' VAL . . . -51.95 -45.73 64.49 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.631 -0.668 . . . . 0.0 111.161 -178.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.79 -34.33 72.89 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.934 -1.104 . . . . 0.0 110.175 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m -65.25 -32.74 74.56 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.703 -1.248 . . . . 0.0 108.473 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 5.3 mmtt -73.12 -38.07 66.46 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.65 ' O ' ' N ' ' A' ' 37' ' ' ALA . 12.3 mtp -57.22 -40.61 77.86 Favored 'General case' 0 C--O 1.202 -1.422 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.651 ' N ' ' NH1' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -49.18 -49.87 40.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.804 -1.185 . . . . 0.0 107.823 178.819 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.64 65.04 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.43 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -67.08 -19.52 65.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.557 -0.715 . . . . 0.0 109.908 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.65 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.82 -75.24 0.1 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.162 -0.961 . . . . 0.0 110.557 -178.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -20.68 66.05 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 118.947 -1.101 . . . . 0.0 110.051 -178.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -61.92 -42.38 99.02 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.42 -30.11 68.24 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -48.99 -38.2 22.55 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.272 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -84.72 -4.93 59.27 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.831 -0.543 . . . . 0.0 111.236 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.66 120.74 1.27 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.55 -1.344 . . . . 0.0 109.349 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.29 168.13 13.84 Favored Pre-proline 0 N--CA 1.498 1.928 0 O-C-N 120.977 -1.077 . . . . 0.0 109.788 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 31.9 Cg_exo -37.24 -41.74 0.87 Allowed 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 123.276 2.651 . . . . 0.0 114.765 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.501 ' O ' ' O ' ' A' ' 47' ' ' LYS . 67.7 Cg_endo -105.16 1.45 0.23 Allowed 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 123.09 2.527 . . . . 0.0 111.687 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.501 ' O ' ' O ' ' A' ' 46' ' ' PRO . 4.1 mptt 55.86 113.61 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.961 ' O ' HD13 ' A' ' 48' ' ' LEU . 3.4 tm? -57.93 -17.06 14.44 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.628 ' C ' ' H ' ' A' ' 51' ' ' LYS . 30.8 mt-10 -101.71 -71.94 0.7 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.314 -0.867 . . . . 0.0 110.014 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 65.54 -32.01 0.15 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.177 -0.952 . . . . 0.0 109.094 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.656 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.6 OUTLIER -164.23 -83.42 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.656 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 9.5 m -172.86 65.08 0.34 Allowed Pre-proline 0 N--CA 1.485 1.308 0 O-C-N 121.235 -0.916 . . . . 0.0 109.77 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 52' ' ' SER . 63.6 Cg_exo -54.21 -73.62 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 122.908 2.406 . . . . 0.0 112.456 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.56 ' O ' ' CB ' ' A' ' 55' ' ' SER . 1.3 m-20 -138.07 -70.14 0.44 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 52.1 p 111.9 -41.76 0.0 OUTLIER Pre-proline 0 N--CA 1.506 2.335 0 C-N-CA 123.572 0.749 . . . . 0.0 110.479 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.401 ' HD3' ' OG ' ' A' ' 55' ' ' SER . 23.6 Cg_exo -64.24 -35.83 49.63 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 CA-C-N 121.129 1.439 . . . . 0.0 108.956 176.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.599 ' O ' ' N ' ' A' ' 60' ' ' ASP . 28.1 tt0 -57.03 -67.56 0.3 Allowed 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.597 ' SD ' ' N ' ' A' ' 59' ' ' LYS . 2.0 tmt? 12.84 -80.02 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.204 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.597 ' N ' ' SD ' ' A' ' 58' ' ' MET . 12.6 tptt -52.92 -41.79 64.76 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.476 -1.39 . . . . 0.0 108.818 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -53.71 -36.44 62.24 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 178.366 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.672 ' CD1' HD23 ' A' ' 48' ' ' LEU . 13.6 t80 -55.06 -38.37 67.93 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 176.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.584 ' O ' ' N ' ' A' ' 66' ' ' ASP . 12.4 ttp180 -54.94 -30.76 59.43 Favored 'General case' 0 C--O 1.203 -1.382 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 60' ' ' ASP . 6.4 t60 -56.69 -38.78 72.74 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.77 -46.42 60.92 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -72.54 -42.69 64.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.532 -0.981 . . . . 0.0 109.03 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 62' ' ' ARG . 23.0 t0 -48.08 -43.51 30.69 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.63 -68.57 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 O-C-N 121.497 -0.752 . . . . 0.0 110.123 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.56 -36.74 62.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -0.935 . . . . 0.0 109.995 -178.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.1 t -67.61 -24.84 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.615 -1.303 . . . . 0.0 110.129 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.28 -44.96 63.1 Favored Glycine 0 N--CA 1.493 2.44 0 C-N-CA 120.276 -0.964 . . . . 0.0 110.708 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.63 ' CD ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -72.09 -23.55 61.36 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.822 -1.399 . . . . 0.0 110.206 -179.217 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.545 HG21 HH22 ' A' ' 34' ' ' ARG . 18.6 mt -60.57 -61.25 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -59.17 -30.76 68.43 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.805 -0.559 . . . . 0.0 109.912 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.97 -24.71 68.02 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 117.637 -1.625 . . . . 0.0 108.811 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.83 -33.86 71.11 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 176.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.546 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 4.7 tt -58.21 -39.96 80.36 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 177.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -64.29 -49.64 71.03 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 122.215 1.007 . . . . 0.0 110.079 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.3 mp -62.98 -56.36 17.76 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.705 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.455 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -44.01 -35.81 2.23 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.196 -0.94 . . . . 0.0 110.103 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 2.7 m-20 -66.21 -29.23 69.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.881 -1.137 . . . . 0.0 107.998 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 78' ' ' LEU . 27.9 tt0 -84.91 7.57 20.57 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.0 39.13 7.59 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 121.324 -0.86 . . . . 0.0 111.838 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -101.42 59.52 0.88 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.841 -1.387 . . . . 0.0 109.837 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.1 t -58.77 -46.35 90.81 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 O-C-N 121.283 -0.886 . . . . 0.0 109.969 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -73.85 -56.13 5.35 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.195 -0.941 . . . . 0.0 110.193 -179.684 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.83 -40.91 76.91 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 121.75 -0.594 . . . . 0.0 109.547 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.1 97.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.035 -1.04 . . . . 0.0 108.83 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.608 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 22.9 mt-30 -64.73 -40.95 96.19 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.11 -0.994 . . . . 0.0 108.83 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.6 -40.19 82.56 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.14 -25.52 67.79 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -63.7 -44.44 93.64 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.06 -16.37 63.38 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.436 -0.79 . . . . 0.0 109.058 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.63 HE21 ' CD ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -74.72 -44.66 48.76 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.157 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.462 ' N ' ' HG3' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -70.77 -36.5 73.11 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 109.888 -179.617 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -57.59 -60.69 3.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.601 -1.312 . . . . 0.0 107.97 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 m -66.87 -24.74 66.16 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.433 -0.792 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 93' ' ' GLN . 19.9 m -48.55 -56.02 9.49 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.833 -1.167 . . . . 0.0 108.38 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.3 mp -57.93 -56.54 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -50.7 73.01 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.601 -1.312 . . . . 0.0 110.906 -179.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.88 -31.58 71.04 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.936 -1.103 . . . . 0.0 109.595 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.504 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.0 m-30 -72.04 -3.74 24.7 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.5 t30 88.46 65.32 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 -176.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 105' ' ' TYR . 7.9 mm-40 46.82 58.28 4.86 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -176.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 35.9 tptt 58.19 -77.81 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 114.55 -1.205 . . . . 0.0 109.416 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -143.84 9.32 1.52 Allowed 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.221 -1.549 . . . . 0.0 108.891 178.104 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 179.796 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.188 0.518 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 4' ' ' GLU . 6.5 m-20 -74.69 -170.49 1.06 Allowed 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 3' ' ' LEU . 34.6 mt -45.17 -20.8 0.05 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.339 -0.851 . . . . 0.0 109.128 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 2' ' ' ASP . 15.0 pt-20 -63.57 -26.42 68.69 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.407 -0.808 . . . . 0.0 109.004 178.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 12.3 p-10 -75.85 -30.25 58.87 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.03 -1.044 . . . . 0.0 110.283 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.488 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -56.68 -43.0 80.02 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 178.584 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 2.8 m95 -56.82 -40.26 75.69 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -57.99 -43.72 86.75 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.528 -0.732 . . . . 0.0 109.246 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -55.4 -53.68 53.15 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.944 -1.098 . . . . 0.0 108.171 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.478 HD12 ' HB1' ' A' ' 36' ' ' ALA . 5.7 mp -64.98 -26.88 68.48 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.556 0.693 . . . . 0.0 109.37 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -59.24 -63.42 1.31 Allowed 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.487 -1.383 . . . . 0.0 110.1 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.23 -23.29 14.13 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -65.65 -57.59 7.74 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 117.539 -1.664 . . . . 0.0 107.934 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.521 HD21 HD23 ' A' ' 94' ' ' LEU . 4.2 mm? -56.01 -34.32 65.7 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.835 0.826 . . . . 0.0 108.841 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -57.13 -52.57 64.79 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.647 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.9 t -67.7 -50.27 62.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 120.655 -1.278 . . . . 0.0 111.523 -178.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -51.06 -51.33 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 119.744 -1.848 . . . . 0.0 108.135 -179.33 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -56.12 -26.89 51.82 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -127.61 33.32 4.84 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.483 -0.761 . . . . 0.0 109.967 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.647 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -65.21 -27.16 68.48 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.168 -0.958 . . . . 0.0 110.809 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 70.94 -34.51 0.3 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.528 -0.732 . . . . 0.0 109.204 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.518 ' H ' ' C ' ' A' ' 20' ' ' ALA . 3.7 m120 -152.48 150.77 29.97 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.421 -0.8 . . . . 0.0 109.169 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.02 -12.34 0.22 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.274 -0.891 . . . . 0.0 109.406 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 22' ' ' ASN . . . -67.97 -56.9 7.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.119 -0.988 . . . . 0.0 109.976 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.24 -12.57 57.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.056 -1.027 . . . . 0.0 110.176 -179.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.521 HG23 ' CB ' ' A' ' 20' ' ' ALA . 6.5 t -72.07 -51.79 28.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 mtpt -52.77 -35.44 56.49 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.238 1.018 . . . . 0.0 108.716 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.86 -61.0 2.91 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.466 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.97 -55.92 25.44 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.397 -0.815 . . . . 0.0 111.659 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.73 -31.97 59.03 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.002 -1.061 . . . . 0.0 110.18 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 m -65.9 -32.59 74.17 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.821 -1.174 . . . . 0.0 109.167 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -73.13 -35.67 66.56 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.654 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.4 mtt -58.36 -39.83 80.6 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.418 HH22 HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -51.9 -47.67 64.49 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.622 -1.299 . . . . 0.0 107.854 178.671 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -54.29 15.22 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.037 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.478 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -64.9 -18.12 64.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.464 -0.772 . . . . 0.0 109.521 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -67.82 -72.66 0.16 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.274 -0.891 . . . . 0.0 110.721 -178.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.19 -25.0 67.52 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 118.69 -1.204 . . . . 0.0 110.036 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.71 -37.9 88.33 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.09 -30.99 69.61 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.45 -40.38 50.45 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 178.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -91.47 8.69 35.2 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.596 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.52 92.28 0.62 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.04 -1.038 . . . . 0.0 108.555 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.447 HG23 ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -132.34 153.66 81.31 Favored Pre-proline 0 N--CA 1.497 1.917 0 O-C-N 121.259 -0.901 . . . . 0.0 108.637 -178.892 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -33.71 -40.6 0.17 Allowed 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 122.494 2.129 . . . . 0.0 114.205 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.541 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.9 Cg_endo -97.94 7.48 1.2 Allowed 'Trans proline' 0 C--N 1.315 -1.207 0 C-N-CA 122.747 2.298 . . . . 0.0 111.317 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.667 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 41.94 20.73 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -178.842 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.544 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.6 tm? 39.08 -83.14 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 -178.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.667 ' N ' ' O ' ' A' ' 47' ' ' LYS . 25.7 mp0 -67.03 93.01 0.26 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.61 -1.306 . . . . 0.0 107.793 177.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -93.07 -7.17 46.39 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.293 -0.879 . . . . 0.0 108.644 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.685 ' CG ' ' H ' ' A' ' 52' ' ' SER . 4.7 pttp -167.84 -71.64 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.685 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 3.3 m -176.89 67.83 0.23 Allowed Pre-proline 0 C--N 1.304 -1.374 0 O-C-N 121.425 -0.797 . . . . 0.0 108.999 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.86 -71.84 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.683 2.255 . . . . 0.0 111.659 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.521 ' O ' ' CB ' ' A' ' 55' ' ' SER . 4.2 m-20 -140.87 -64.91 0.45 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 24.5 p 110.84 -43.52 0.0 OUTLIER Pre-proline 0 N--CA 1.506 2.371 0 C-N-CA 123.845 0.858 . . . . 0.0 110.477 179.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD3' ' OG ' ' A' ' 55' ' ' SER . 23.7 Cg_exo -64.56 -34.28 53.07 Favored 'Trans proline' 0 N--CA 1.492 1.397 0 CA-C-N 120.944 1.373 . . . . 0.0 109.477 176.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.61 ' O ' ' N ' ' A' ' 60' ' ' ASP . 42.7 tp10 -60.74 -71.45 0.14 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.528 ' C ' ' O ' ' A' ' 57' ' ' GLU . 16.2 ttp 13.21 -82.48 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.346 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 178.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 62' ' ' ARG . 11.6 tptt -50.44 -41.0 52.0 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.751 -1.218 . . . . 0.0 108.795 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' GLU . 1.3 m-20 -54.96 -34.65 63.47 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.512 ' N ' ' O ' ' A' ' 58' ' ' MET . 18.8 t80 -55.94 -36.16 67.45 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 176.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.635 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -51.83 -34.41 40.31 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 175.683 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.517 ' N ' ' O ' ' A' ' 60' ' ' ASP . 45.7 t60 -53.45 -34.54 58.28 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -68.98 -50.82 32.17 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 108.786 -1.726 . . . . 0.0 108.786 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -72.42 -46.85 53.23 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.511 -0.993 . . . . 0.0 108.879 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.635 ' N ' ' O ' ' A' ' 62' ' ' ARG . 32.8 t70 -46.5 -44.84 18.02 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.625 -0.672 . . . . 0.0 109.194 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.67 -65.96 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.367 -0.833 . . . . 0.0 109.456 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -56.4 -40.52 74.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.115 -0.991 . . . . 0.0 109.157 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.418 HG13 HH22 ' A' ' 34' ' ' ARG . 70.2 t -68.01 -21.36 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.966 -1.084 . . . . 0.0 110.0 178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.16 -50.58 12.12 Favored Glycine 0 N--CA 1.5 2.919 0 O-C-N 121.056 -1.027 . . . . 0.0 112.183 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.585 ' OE1' ' NE2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -71.63 -28.84 64.06 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.577 -1.543 . . . . 0.0 110.006 -178.525 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -58.74 -55.34 23.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.18 -0.95 . . . . 0.0 109.064 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.4 p30 -60.54 -37.5 81.43 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 26.2 t70 -60.05 -19.86 55.03 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 117.891 -1.524 . . . . 0.0 108.042 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.81 69.52 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 76' ' ' LEU . 4.2 tt -58.88 -41.53 87.32 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 177.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -61.9 -46.07 90.97 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 122.081 0.943 . . . . 0.0 109.435 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.5 mp -63.19 -52.04 63.94 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 121.711 -0.618 . . . . 0.0 109.575 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.404 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -47.69 -37.86 13.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.134 -0.979 . . . . 0.0 109.41 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -64.36 -26.22 68.38 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 78' ' ' LEU . 21.0 tp10 -85.44 6.06 28.41 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.99 37.23 9.38 Favored Glycine 0 N--CA 1.496 2.698 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.08 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -97.24 64.15 1.89 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.942 -1.328 . . . . 0.0 109.25 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.39 -53.29 50.86 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.016 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.581 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.79 -50.57 23.46 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.086 -1.009 . . . . 0.0 109.872 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.59 -45.84 81.17 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.71 98.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.058 -1.027 . . . . 0.0 108.739 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.564 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 21.4 mt-30 -63.88 -40.38 96.4 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.94 93.5 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.48 -23.56 66.98 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -63.07 -51.55 66.22 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.967 -1.083 . . . . 0.0 108.395 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -61.16 -13.13 15.57 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.179 -0.95 . . . . 0.0 110.564 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.585 ' NE2' ' OE1' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -78.42 -33.2 48.76 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 120.418 -1.426 . . . . 0.0 107.908 179.259 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.521 HD23 HD21 ' A' ' 14' ' ' LEU . 52.6 tp -67.66 -41.53 83.61 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.278 -0.889 . . . . 0.0 108.927 177.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -56.81 -68.65 0.2 Allowed 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.032 0.92 . . . . 0.0 109.658 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.6 m -63.49 -23.25 67.32 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.157 -0.965 . . . . 0.0 110.579 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.428 ' OG1' ' OE1' ' A' ' 93' ' ' GLN . 1.4 m -51.41 -65.27 0.58 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.449 -1.407 . . . . 0.0 108.449 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.9 mp -49.32 -50.09 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.099 -1.0 . . . . 0.0 109.675 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -61.47 -50.58 72.18 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.573 -1.329 . . . . 0.0 110.805 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.62 -30.46 71.37 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.78 -1.2 . . . . 0.0 110.186 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.8 m-30 -71.57 -7.13 45.77 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.2 t30 92.38 65.98 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 104.924 -2.25 . . . . 0.0 104.924 -176.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 102' ' ' ASN . 6.8 mm-40 45.75 53.02 9.14 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -176.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.9 tptt 62.19 -86.61 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 113.867 -1.515 . . . . 0.0 109.566 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.55 15.59 1.44 Allowed 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.415 -1.428 . . . . 0.0 108.942 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.395 0 CA-C-O 118.049 -1.417 . . . . 0.0 109.687 -179.409 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.396 0.617 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.51 166.73 20.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.253 -0.904 . . . . 0.0 109.244 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.8 mt -49.77 -19.06 0.57 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.238 -0.914 . . . . 0.0 109.909 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -60.99 -15.35 30.67 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.207 -0.933 . . . . 0.0 110.526 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 8' ' ' GLU . 33.5 p-10 -76.21 -51.58 11.79 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.89 -1.131 . . . . 0.0 110.97 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.484 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -48.55 -39.19 22.63 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 179.495 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.495 ' O ' ' N ' ' A' ' 11' ' ' ASN . 3.5 m95 -59.29 -37.34 77.45 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 5' ' ' ASP . 49.4 tt0 -60.15 -49.26 78.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.432 -0.793 . . . . 0.0 108.984 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.6 m -53.51 -49.7 66.98 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.76 -30.52 71.61 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' TRP . 65.7 t30 -61.97 -66.8 0.48 Allowed 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.537 -1.352 . . . . 0.0 110.025 -178.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -51.28 -20.79 1.8 Allowed 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -68.96 -62.3 1.44 Allowed 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 118.092 -1.443 . . . . 0.0 108.38 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.6 mm? -55.84 -33.16 64.25 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.055 -1.028 . . . . 0.0 108.734 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -55.89 -51.58 67.09 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.733 -0.604 . . . . 0.0 110.664 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.638 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.6 t -65.36 -54.83 24.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.779 -1.201 . . . . 0.0 110.915 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.42 HD11 ' CE ' ' A' ' 33' ' ' MET . 0.2 OUTLIER -48.97 -49.82 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 120.195 -1.566 . . . . 0.0 108.571 -178.826 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.87 -23.86 54.97 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 16' ' ' VAL . 9.5 mtpp -129.53 33.47 4.48 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.466 -0.771 . . . . 0.0 110.391 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.69 -26.38 68.35 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.141 -0.974 . . . . 0.0 110.706 -178.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 69.29 -33.26 0.24 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.502 -0.749 . . . . 0.0 109.443 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.548 ' H ' ' C ' ' A' ' 20' ' ' ALA . 4.3 m120 -152.38 151.96 31.47 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.366 -0.834 . . . . 0.0 109.48 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.87 -18.79 1.43 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.283 -0.886 . . . . 0.0 109.699 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.28 -54.78 24.01 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.977 -1.077 . . . . 0.0 110.733 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 20' ' ' ALA . 1.6 mt-30 -65.11 -16.55 63.61 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.763 -1.211 . . . . 0.0 110.067 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.567 HG23 ' CB ' ' A' ' 20' ' ' ALA . 7.8 t -70.83 -49.91 47.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 120.823 -1.173 . . . . 0.0 107.892 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -56.37 -35.3 67.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.346 -0.846 . . . . 0.0 109.53 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.66 -62.42 1.67 Allowed 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.786 -0.571 . . . . 0.0 110.194 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.469 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -52.16 -47.9 65.2 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.511 -0.743 . . . . 0.0 111.335 -178.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.7 mt -59.27 -31.03 68.72 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.759 -1.213 . . . . 0.0 110.034 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.9 m -68.27 -34.25 75.84 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.566 -1.334 . . . . 0.0 108.441 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 5.8 mmtt -69.83 -36.31 75.49 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.665 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.8 mtt -55.44 -49.84 71.38 Favored 'General case' 0 C--O 1.202 -1.446 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.557 HH21 HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -41.2 -48.04 3.42 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.901 0.858 . . . . 0.0 108.925 179.117 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.26 -53.75 33.12 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.772 -0.771 . . . . 0.0 108.974 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.48 -19.1 65.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.458 -0.776 . . . . 0.0 110.291 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.665 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -64.05 -69.13 0.3 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.134 -0.978 . . . . 0.0 110.591 -178.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 4.8 mt -65.01 -24.06 67.4 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 118.827 -1.149 . . . . 0.0 110.027 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -60.66 -39.83 89.84 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.47 -27.51 69.18 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.41 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 5.3 tm0? -47.39 -37.45 11.37 Favored 'General case' 0 N--CA 1.503 2.215 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -90.62 -75.96 0.45 Allowed 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.756 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.82 102.35 10.76 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.16 -0.963 . . . . 0.0 109.559 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.418 ' C ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -134.88 154.39 79.26 Favored Pre-proline 0 N--CA 1.497 1.907 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.473 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 19.6 Cg_exo -31.1 -41.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.315 -1.2 0 C-N-CA 122.703 2.269 . . . . 0.0 114.869 -178.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 48' ' ' LEU . 39.5 Cg_endo -100.86 -3.98 0.46 Allowed 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 122.94 2.427 . . . . 0.0 111.504 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.589 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 61.96 -8.19 0.1 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.512 -0.742 . . . . 0.0 110.513 179.15 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.658 HD23 ' CD1' ' A' ' 61' ' ' PHE . 2.6 tm? 63.76 -66.87 0.11 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -177.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' A' ' 47' ' ' LYS . 34.2 mt-10 -82.79 88.95 6.75 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.151 -0.968 . . . . 0.0 108.596 177.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -94.27 -6.52 44.32 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.678 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -166.34 -82.68 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.749 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.678 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 14.2 m -171.46 70.0 0.48 Allowed Pre-proline 0 C--N 1.306 -1.298 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 178.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.87 -70.54 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 123.001 2.467 . . . . 0.0 111.934 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.533 ' O ' ' CB ' ' A' ' 55' ' ' SER . 12.1 t0 -132.72 -60.52 0.87 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 53.8 p 115.12 -47.46 0.0 OUTLIER Pre-proline 0 N--CA 1.504 2.229 0 C-N-CA 124.107 0.963 . . . . 0.0 109.767 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.484 ' HD3' ' OG ' ' A' ' 55' ' ' SER . 2.6 Cg_endo -84.31 -25.25 2.2 Favored 'Trans proline' 0 N--CA 1.484 0.97 0 CA-C-N 121.374 1.526 . . . . 0.0 108.699 176.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -66.23 -5.44 10.35 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.554 0.692 . . . . 0.0 109.161 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 61' ' ' PHE . 9.6 ttt -65.8 -66.54 0.53 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 0.0 110.239 -178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -50.85 -32.42 20.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.582 -1.324 . . . . 0.0 108.671 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -56.82 -35.43 68.78 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.317 -1.489 . . . . 0.0 107.037 178.394 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.658 ' CD1' HD23 ' A' ' 48' ' ' LEU . 8.8 t80 -54.97 -42.79 72.84 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 66' ' ' ASP . 9.3 tmm_? -52.37 -30.65 29.89 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.794 -1.188 . . . . 0.0 107.794 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -57.15 -33.9 67.88 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -70.86 -52.48 14.57 Favored Glycine 0 N--CA 1.497 2.713 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.39 -37.61 83.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.181 -1.188 . . . . 0.0 108.144 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 62' ' ' ARG . 24.9 t70 -50.58 -43.57 56.54 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.32 -66.22 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.404 -0.81 . . . . 0.0 109.988 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 pp -54.31 -35.49 62.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.259 -0.901 . . . . 0.0 109.68 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.557 HG12 HH21 ' A' ' 34' ' ' ARG . 34.0 t -67.28 -21.82 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 120.496 -1.377 . . . . 0.0 109.47 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.74 -49.96 21.45 Favored Glycine 0 N--CA 1.495 2.626 0 O-C-N 121.222 -0.924 . . . . 0.0 111.123 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -19.41 64.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.636 -1.508 . . . . 0.0 109.63 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 73' ' ' ASP . 2.0 mt -61.04 -62.7 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.515 ' N ' HG22 ' A' ' 72' ' ' ILE . 2.8 p30 -61.22 -32.93 72.7 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.572 -0.705 . . . . 0.0 110.41 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -60.78 -23.85 65.32 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 117.494 -1.682 . . . . 0.0 108.802 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.15 -35.49 74.07 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.413 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 4.5 tt -57.3 -40.37 77.69 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 177.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.409 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 14.3 ttpp -62.88 -45.96 90.09 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 122.298 1.047 . . . . 0.0 109.754 179.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.593 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.9 mp -63.26 -58.35 7.44 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.604 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.82 -34.7 1.66 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.312 -0.868 . . . . 0.0 110.108 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.413 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 5.8 m-20 -65.99 -27.62 68.27 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.776 -1.203 . . . . 0.0 107.918 178.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 78' ' ' LEU . 61.9 tt0 -86.02 3.74 40.96 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.48 39.69 6.24 Favored Glycine 0 N--CA 1.497 2.739 0 O-C-N 121.192 -0.942 . . . . 0.0 111.53 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -98.81 61.88 1.32 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.907 -1.349 . . . . 0.0 109.365 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.7 t -59.75 -48.74 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.597 -0.689 . . . . 0.0 110.377 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -50.73 18.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.079 -1.013 . . . . 0.0 110.098 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.3 -42.32 98.46 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.593 -0.692 . . . . 0.0 109.719 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.04 -46.0 92.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.03 -1.044 . . . . 0.0 109.239 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.68 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 24.2 mt-30 -63.36 -39.56 94.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.106 -0.996 . . . . 0.0 108.358 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.08 94.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.133 -0.979 . . . . 0.0 108.405 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.54 -23.73 66.15 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.22 -49.31 72.47 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.15 -13.09 32.91 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -0.852 . . . . 0.0 109.101 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.589 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.52 -41.35 60.78 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 178.762 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 93' ' ' GLN . 0.2 OUTLIER -70.68 -38.8 73.76 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.059 -179.647 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -53.73 -66.47 0.39 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.72 -1.238 . . . . 0.0 108.688 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 m -67.99 -17.64 64.49 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.304 -0.873 . . . . 0.0 110.731 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.589 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 14.8 m -50.11 -58.98 4.38 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.439 -1.413 . . . . 0.0 107.462 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 104' ' ' LYS . 2.1 mp -58.44 -50.06 80.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.85 -0.531 . . . . 0.0 109.753 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -50.92 71.93 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.305 -1.497 . . . . 0.0 111.029 -178.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -62.47 -34.09 76.13 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.992 -1.067 . . . . 0.0 110.573 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.531 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.3 m-30 -69.22 0.91 4.2 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.4 t30 88.77 59.31 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 104.984 -2.228 . . . . 0.0 104.984 -177.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 102' ' ' ASN . 5.7 mm-40 48.3 56.32 7.59 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 -175.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 98' ' ' ILE . 22.2 tptt 63.89 -72.06 0.06 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 113.469 -1.696 . . . . 0.0 109.924 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.461 ' O ' ' OXT' ' A' ' 106' ' ' GLY . 0.2 OUTLIER -145.31 -28.41 0.45 Allowed 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.006 -1.684 . . . . 0.0 110.085 178.72 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.461 ' OXT' ' O ' ' A' ' 105' ' ' TYR . . . . . . . . 0 N--CA 1.494 2.551 0 CA-C-O 117.709 -1.606 . . . . 0.0 110.747 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.327 0.584 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' ' 5' ' ' ASP . 44.6 m-20 -80.17 175.66 10.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.285 -0.884 . . . . 0.0 110.25 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.8 -29.96 3.6 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.557 -0.715 . . . . 0.0 109.865 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -59.04 -7.82 1.24 Allowed 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.002 -1.061 . . . . 0.0 109.664 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 8' ' ' GLU . 34.8 p-10 -77.32 -53.24 7.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.998 -1.064 . . . . 0.0 110.668 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.491 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -48.62 -36.8 16.58 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.6 m95 -59.49 -39.9 85.26 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 5' ' ' ASP . 26.9 tt0 -58.81 -47.29 85.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.58 -0.7 . . . . 0.0 109.335 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 m -54.4 -55.5 28.01 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.798 -1.189 . . . . 0.0 108.115 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp -65.22 -25.0 67.5 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.729 -0.607 . . . . 0.0 109.508 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 7' ' ' TRP . 49.8 t30 -60.57 -66.22 0.56 Allowed 'General case' 0 C--N 1.293 -1.859 0 O-C-N 120.628 -1.295 . . . . 0.0 110.436 -178.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.1 -19.87 5.66 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.866 -0.521 . . . . 0.0 109.731 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -65.72 -53.5 39.95 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 117.545 -1.662 . . . . 0.0 108.493 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.0 mm? -59.96 -32.85 71.21 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.939 -1.101 . . . . 0.0 108.851 178.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -57.75 -50.73 72.24 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.806 -0.559 . . . . 0.0 110.958 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.632 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.4 t -65.29 -53.47 40.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 O-C-N 120.419 -1.426 . . . . 0.0 110.477 -178.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -50.72 -47.59 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 120.132 -1.605 . . . . 0.0 107.858 -179.399 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.44 -31.99 64.49 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' VAL . 8.9 mtpp -127.28 42.07 3.39 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.632 -0.668 . . . . 0.0 109.609 -178.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.632 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.38 -30.23 71.27 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.267 -0.896 . . . . 0.0 110.589 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 71.28 -34.32 0.3 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.486 -0.759 . . . . 0.0 109.179 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.511 ' H ' ' C ' ' A' ' 20' ' ' ALA . 8.2 m120 -153.26 150.08 28.59 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.277 -0.889 . . . . 0.0 109.694 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.6 -20.6 3.13 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.303 -0.873 . . . . 0.0 109.822 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.25 -51.92 52.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.099 -1.001 . . . . 0.0 110.37 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.405 ' OE1' ' O ' ' A' ' 20' ' ' ALA . 1.9 mt-30 -65.98 -15.45 63.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.939 -1.101 . . . . 0.0 110.455 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.511 HG23 ' CB ' ' A' ' 20' ' ' ALA . 9.6 t -70.22 -53.53 22.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -52.14 -35.24 47.89 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.901 0.858 . . . . 0.0 109.097 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.66 -62.13 2.1 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.454 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -54.58 -49.72 69.72 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.539 -0.725 . . . . 0.0 110.911 -178.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.19 -32.19 68.01 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.866 -1.146 . . . . 0.0 109.89 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 m -67.25 -34.14 76.81 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.952 -1.093 . . . . 0.0 108.938 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 6.2 mmtt -71.62 -37.97 70.83 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.703 ' O ' ' N ' ' A' ' 37' ' ' ALA . 5.1 mtt -55.66 -42.81 75.6 Favored 'General case' 0 C--O 1.199 -1.601 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 178.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.566 HH21 HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.63 -51.06 22.72 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.852 -1.155 . . . . 0.0 108.228 178.74 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.72 -53.73 17.1 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.549 0.69 . . . . 0.0 109.335 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.46 -21.31 66.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.422 -0.799 . . . . 0.0 109.819 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.703 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -65.06 -70.03 0.26 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.251 -0.905 . . . . 0.0 110.364 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' GLN . 6.4 mt -63.04 -25.02 68.19 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 118.961 -1.096 . . . . 0.0 108.923 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.77 -36.17 76.12 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 105.148 -2.167 . . . . 0.0 105.148 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 37' ' ' ALA . . . -63.12 -28.42 70.05 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 176.355 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 38' ' ' LEU . 8.7 tm0? -50.31 -24.5 2.99 Favored 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 177.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.3 mtpt -114.86 139.35 49.84 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . 63.3 97.5 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.966 -1.083 . . . . 0.0 109.981 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 40' ' ' ALA . 15.7 p -140.39 157.56 68.21 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.318 -0.864 . . . . 0.0 109.341 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.409 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 43.5 Cg_exo -36.05 -40.76 0.45 Allowed 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.943 1.762 . . . . 0.0 113.03 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' O ' ' N ' ' A' ' 48' ' ' LEU . 19.2 Cg_endo -100.1 8.4 0.71 Allowed 'Trans proline' 0 C--N 1.319 -1.003 0 C-N-CA 123.076 2.517 . . . . 0.0 111.447 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.707 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 41.75 19.99 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.963 -0.461 . . . . 0.0 109.767 -179.57 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.726 HD23 ' CD1' ' A' ' 61' ' ' PHE . 2.3 tm? 37.73 -79.44 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.397 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -178.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.707 ' N ' ' O ' ' A' ' 47' ' ' LYS . 29.6 mp0 -60.1 81.02 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.121 -0.987 . . . . 0.0 108.655 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 48' ' ' LEU . 52.0 t0 -99.2 79.74 2.36 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.536 ' O ' ' CB ' ' A' ' 52' ' ' SER . 12.5 pttt 105.25 -10.06 0.02 OUTLIER 'General case' 0 N--CA 1.521 3.092 0 C-N-CA 123.999 0.919 . . . . 0.0 110.047 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 51' ' ' LYS . 1.4 t 90.71 70.46 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.682 0 CA-C-O 121.391 0.615 . . . . 0.0 109.506 -178.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.432 ' HD3' ' H ' ' A' ' 52' ' ' SER . 52.9 Cg_exo -55.91 -74.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 123.133 2.555 . . . . 0.0 111.777 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.535 ' O ' ' CB ' ' A' ' 55' ' ' SER . 13.7 m-20 -133.36 -56.89 0.9 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 55.5 p 113.44 -42.94 0.0 OUTLIER Pre-proline 0 N--CA 1.508 2.458 0 C-N-CA 123.795 0.838 . . . . 0.0 111.558 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.46 ' C ' ' H ' ' A' ' 58' ' ' MET . 7.0 Cg_exo -73.72 -44.96 0.43 Allowed 'Trans proline' 0 N--CA 1.489 1.262 0 CA-C-N 121.485 1.566 . . . . 0.0 109.485 177.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -0.93 0.44 Allowed 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.495 ' SD ' ' OE2' ' A' ' 49' ' ' GLU . 21.2 ttp -63.72 -54.1 40.71 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.993 -1.067 . . . . 0.0 108.76 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -54.54 -31.29 56.18 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.485 -1.385 . . . . 0.0 107.886 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -55.15 -34.4 63.75 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.726 ' CD1' HD23 ' A' ' 48' ' ' LEU . 20.2 t80 -57.77 -46.66 84.26 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 66' ' ' ASP . 3.2 tmt_? -51.75 -35.11 42.2 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 177.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -54.17 -40.75 67.79 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.116 -0.99 . . . . 0.0 108.466 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.58 -47.16 80.22 Favored Glycine 0 N--CA 1.497 2.728 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -68.75 -35.5 77.17 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 62' ' ' ARG . 22.8 t70 -51.28 -47.61 62.47 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -177.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mt -64.17 -63.05 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.189 -0.944 . . . . 0.0 109.893 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.511 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -53.34 -39.0 63.76 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.248 -0.907 . . . . 0.0 109.336 -178.833 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.703 ' HA ' HD12 ' A' ' 72' ' ' ILE . 34.1 t -68.23 -22.11 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.755 -1.215 . . . . 0.0 109.932 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.0 -52.64 13.2 Favored Glycine 0 N--CA 1.498 2.796 0 O-C-N 121.006 -1.058 . . . . 0.0 111.745 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.43 HE21 ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -66.67 -20.66 66.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.764 -1.433 . . . . 0.0 109.559 -178.847 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 69' ' ' VAL . 19.1 mt -60.16 -63.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 76' ' ' LEU . 2.2 p30 -59.88 -34.88 73.76 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.478 -0.764 . . . . 0.0 110.099 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.447 ' O ' ' OD1' ' A' ' 74' ' ' ASP . 31.5 t0 -60.17 -20.42 58.45 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 119.906 -1.746 . . . . 0.0 107.931 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.29 -34.86 68.48 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 176.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.488 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.0 tt -57.48 -39.25 75.99 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -63.2 -46.2 88.17 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.248 1.023 . . . . 0.0 109.711 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.7 mp -65.4 -55.43 18.14 Favored 'General case' 0 C--N 1.29 -1.993 0 O-C-N 121.779 -0.576 . . . . 0.0 109.981 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.467 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -45.27 -37.73 4.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.052 -1.03 . . . . 0.0 110.005 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.4 m-20 -64.86 -27.93 69.2 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 178.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 78' ' ' LEU . 28.7 tt0 -85.09 6.1 26.93 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.85 41.06 7.34 Favored Glycine 0 N--CA 1.497 2.742 0 O-C-N 121.134 -0.979 . . . . 0.0 111.136 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 20.0 mmtp -100.11 54.53 0.91 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.965 -1.315 . . . . 0.0 109.8 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 t -59.29 -39.87 79.94 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 O-C-N 121.522 -0.736 . . . . 0.0 109.334 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -52.29 10.14 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.165 -0.96 . . . . 0.0 109.895 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.15 -41.21 99.23 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -60.26 -46.03 91.24 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 0.0 109.296 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.687 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 24.8 mt-30 -64.2 -38.69 91.94 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.044 -1.035 . . . . 0.0 108.328 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.03 96.33 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.96 -22.88 64.88 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -63.59 -47.52 81.14 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -63.0 -13.69 38.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.413 -0.805 . . . . 0.0 109.301 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.547 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -77.81 -43.22 31.18 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 179.374 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.518 HD13 HD11 ' A' ' 72' ' ' ILE . 60.1 tp -68.81 -41.32 78.82 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.375 -0.828 . . . . 0.0 109.607 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -56.24 -72.39 0.08 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.407 -0.808 . . . . 0.0 110.608 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -20.52 66.19 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.082 -1.011 . . . . 0.0 110.675 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.547 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.1 m -49.88 -58.87 4.54 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.583 -1.323 . . . . 0.0 107.696 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.551 HG23 ' HB2' ' A' ' 104' ' ' LYS . 2.3 mp -56.5 -51.65 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 121.538 -0.726 . . . . 0.0 109.049 178.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -59.32 -51.12 71.28 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.627 -1.295 . . . . 0.0 110.699 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.24 -28.47 70.05 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.012 -1.055 . . . . 0.0 110.032 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.3 m-30 -71.59 -2.26 16.43 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.6 t30 89.56 61.03 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -177.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 102' ' ' ASN . 6.4 mm-40 48.35 55.85 8.29 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 -176.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.551 ' HB2' HG23 ' A' ' 98' ' ' ILE . 26.2 tptt 61.44 -83.73 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 113.609 -1.632 . . . . 0.0 108.941 -178.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.88 10.14 0.91 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.264 -1.523 . . . . 0.0 109.14 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.024 0 CA-C-O 117.882 -1.51 . . . . 0.0 109.773 -179.144 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.338 0.59 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -82.21 -153.25 0.11 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.371 -0.831 . . . . 0.0 109.745 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.08 91.73 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.345 -0.847 . . . . 0.0 108.859 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -174.29 -35.92 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -77.21 -28.51 53.85 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -59.02 -41.49 87.88 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 105.72 -1.955 . . . . 0.0 105.72 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.4 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.2 m95 -59.88 -37.19 78.64 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.805 -1.088 . . . . 0.0 109.064 178.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -56.93 -44.78 82.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.36 -0.838 . . . . 0.0 109.62 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.465 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.0 m -54.72 -52.91 61.0 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 178.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.43 -26.84 68.14 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.65 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' TRP . 52.9 t-20 -61.01 -66.3 0.56 Allowed 'General case' 0 C--N 1.29 -1.995 0 O-C-N 120.37 -1.456 . . . . 0.0 110.133 -178.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.04 -19.92 5.59 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.795 -0.566 . . . . 0.0 110.02 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 9' ' ' THR . 8.0 m-80 -65.28 -58.13 6.72 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 117.96 -1.496 . . . . 0.0 108.987 -178.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.593 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.3 mm? -58.58 -32.46 68.97 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.021 -1.049 . . . . 0.0 108.584 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -59.03 -47.12 86.37 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.809 -0.557 . . . . 0.0 109.878 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.611 ' O ' ' N ' ' A' ' 20' ' ' ALA . 21.8 t -68.33 -56.21 13.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 120.792 -1.193 . . . . 0.0 111.077 -178.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.661 HD11 ' CE ' ' A' ' 33' ' ' MET . 0.1 OUTLIER -50.36 -46.25 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.391 0 O-C-N 119.859 -1.776 . . . . 0.0 107.766 -179.587 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 5.6 mm-40 -56.16 -28.04 56.54 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 16' ' ' VAL . 12.1 mtpt -127.76 34.92 4.56 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.661 -0.65 . . . . 0.0 110.235 -178.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.611 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.1 -18.93 64.88 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.063 -1.023 . . . . 0.0 110.373 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 67.16 -36.15 0.27 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.594 -0.691 . . . . 0.0 109.857 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.537 ' H ' ' C ' ' A' ' 20' ' ' ALA . 10.0 m120 -149.78 149.39 30.46 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.17 -0.956 . . . . 0.0 109.634 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.45 -17.92 2.32 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.422 -0.799 . . . . 0.0 110.005 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.91 -52.52 42.28 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.824 -1.172 . . . . 0.0 109.951 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.406 ' OE1' ' O ' ' A' ' 20' ' ' ALA . 1.4 mt-30 -65.69 -18.18 65.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.996 -1.065 . . . . 0.0 110.068 -179.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.478 HG23 ' CB ' ' A' ' 20' ' ' ALA . 20.6 t -67.36 -47.63 80.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -55.12 -45.62 75.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.36 -0.837 . . . . 0.0 109.535 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -60.42 -64.43 0.95 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.221 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' ASP . . . -40.12 -53.75 2.39 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.146 0.498 . . . . 0.0 111.189 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.12 -36.61 77.86 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.964 -1.085 . . . . 0.0 109.792 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.7 m -63.92 -29.19 70.38 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.763 -1.211 . . . . 0.0 108.039 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' ASP . 7.7 mmtt -71.72 -40.21 69.61 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 177.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.688 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.0 mtm -57.99 -47.99 81.36 Favored 'General case' 0 C--O 1.2 -1.532 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -39.22 -50.0 1.91 Allowed 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.839 0.828 . . . . 0.0 108.902 179.089 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -51.46 58.65 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.24 -20.25 65.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.22 -0.925 . . . . 0.0 109.343 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.688 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.71 -71.18 0.21 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.461 -0.775 . . . . 0.0 110.479 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.19 -18.31 63.35 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 118.944 -1.102 . . . . 0.0 109.217 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -63.16 -41.53 99.27 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.86 -29.27 69.43 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -48.59 -36.73 16.26 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 106.957 -1.498 . . . . 0.0 106.957 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -84.58 -76.98 0.29 Allowed 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.28 103.24 14.69 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.042 -1.036 . . . . 0.0 109.808 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.21 152.72 78.75 Favored Pre-proline 0 N--CA 1.498 1.934 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -34.68 -42.26 0.31 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.498 2.132 . . . . 0.0 114.818 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -98.82 -4.97 0.76 Allowed 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 123.318 2.679 . . . . 0.0 113.336 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.58 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 51.5 34.8 12.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.85 -1.156 . . . . 0.0 108.582 -179.261 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.529 HD23 ' CD1' ' A' ' 61' ' ' PHE . 1.0 OUTLIER 60.57 -70.61 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -178.653 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.58 ' N ' ' O ' ' A' ' 47' ' ' LYS . 8.2 mm-40 -122.6 -166.88 1.49 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -103.36 18.19 22.38 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.058 -1.026 . . . . 0.0 110.633 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.671 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -163.76 -94.62 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.46 -1.4 . . . . 0.0 110.965 -179.641 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.671 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 2.4 m -174.0 78.28 0.37 Allowed Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 120.965 -1.084 . . . . 0.0 109.051 -178.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -45.49 -76.69 0.03 OUTLIER 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 123.067 2.511 . . . . 0.0 112.639 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.55 ' O ' ' CB ' ' A' ' 55' ' ' SER . 1.5 m-20 -124.53 -48.91 1.79 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 52.2 p 112.53 -44.37 0.0 OUTLIER Pre-proline 0 N--CA 1.504 2.237 0 C-N-CA 123.858 0.863 . . . . 0.0 111.201 178.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -75.19 -30.22 7.12 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 CA-C-N 121.872 1.704 . . . . 0.0 109.586 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -72.46 -15.53 61.81 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.621 0.724 . . . . 0.0 109.126 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.6 ttt -63.97 -33.78 76.51 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 62' ' ' ARG . 0.5 OUTLIER -56.35 -37.25 69.77 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.138 -1.431 . . . . 0.0 107.138 178.056 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 63' ' ' HIS . 27.1 t0 -53.46 -42.65 67.39 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CD1' HD23 ' A' ' 48' ' ' LEU . 22.2 t80 -53.53 -31.55 46.74 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 118.221 -1.391 . . . . 0.0 107.563 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 66' ' ' ASP . 3.4 ttm180 -55.18 -34.95 64.31 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 176.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 60' ' ' ASP . 73.3 t60 -49.77 -31.25 11.11 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.34 -54.39 11.01 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 108.773 -1.731 . . . . 0.0 108.773 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' ASP . 4.3 m-85 -70.07 -44.29 69.42 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.147 -1.208 . . . . 0.0 108.773 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 62' ' ' ARG . 10.5 t70 -42.17 -41.51 2.7 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.476 0.655 . . . . 0.0 109.277 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mm -67.36 -62.32 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 O-C-N 121.208 -0.932 . . . . 0.0 110.513 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.0 pp -57.33 -46.88 82.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.835 -1.166 . . . . 0.0 110.956 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.481 ' HA ' HD12 ' A' ' 72' ' ' ILE . 9.2 m -62.77 -18.58 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.126 -1.609 . . . . 0.0 109.76 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.43 -44.11 75.01 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.677 ' CD ' HE22 ' A' ' 93' ' ' GLN . 7.3 pt20 -71.69 -28.05 63.45 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.72 -1.459 . . . . 0.0 109.73 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.739 HD11 HD13 ' A' ' 94' ' ' LEU . 78.0 mt -60.43 -54.75 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.51 -35.92 73.0 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.56 -23.58 64.74 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 117.552 -1.659 . . . . 0.0 108.839 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.67 -32.59 68.03 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 177.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 76' ' ' LEU . 4.4 tt -59.73 -37.9 80.19 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 177.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.427 ' HA ' ' ND2' ' A' ' 80' ' ' ASN . 14.1 ttpp -64.7 -46.24 83.21 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 122.32 1.057 . . . . 0.0 110.02 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.636 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.4 mp -62.83 -61.02 2.69 Favored 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.787 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.419 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -42.96 -31.72 0.55 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.171 -0.956 . . . . 0.0 110.169 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 8.6 m-20 -66.09 -29.34 69.65 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.636 ' N ' ' O ' ' A' ' 78' ' ' LEU . 27.1 tp10 -84.38 0.43 49.38 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.19 45.23 5.11 Favored Glycine 0 N--CA 1.498 2.786 0 O-C-N 120.947 -1.096 . . . . 0.0 111.614 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 17.9 mmtt -101.5 70.61 1.3 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.984 -1.303 . . . . 0.0 108.951 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.62 -55.39 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.423 -0.798 . . . . 0.0 111.234 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -48.92 41.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.822 -1.174 . . . . 0.0 109.999 -178.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.37 -44.03 95.99 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.469 -0.769 . . . . 0.0 109.938 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -63.6 -42.8 98.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.882 -1.136 . . . . 0.0 108.869 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.504 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 27.8 mt-30 -65.4 -41.41 93.69 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.42 83.5 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.14 -30.27 71.18 Favored 'General case' 0 C--O 1.205 -1.262 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -62.7 -38.94 92.42 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.83 -1.169 . . . . 0.0 108.355 178.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -69.81 -16.73 63.33 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.797 -1.19 . . . . 0.0 110.796 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.677 HE22 ' CD ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -76.89 -30.3 56.13 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 179.157 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.739 HD13 HD11 ' A' ' 72' ' ' ILE . 28.4 tp -68.33 -42.82 78.75 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.956 0.884 . . . . 0.0 108.916 177.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -55.41 -68.89 0.16 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.388 -0.82 . . . . 0.0 109.578 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -16.99 64.72 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.274 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.481 ' OG1' ' O ' ' A' ' 93' ' ' GLN . 1.4 m -52.08 -58.51 6.34 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.154 -1.591 . . . . 0.0 107.634 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.606 HG23 ' HB2' ' A' ' 104' ' ' LYS . 2.6 mp -58.21 -49.28 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.151 -0.968 . . . . 0.0 108.734 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -60.74 -49.14 78.7 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 120.668 -1.27 . . . . 0.0 110.778 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.468 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -64.94 -32.96 74.93 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.008 -1.058 . . . . 0.0 110.633 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.466 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.0 m-30 -68.1 -2.5 7.98 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.468 ' H ' ' C ' ' A' ' 100' ' ' ALA . 1.7 t30 89.16 68.25 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 104.476 -2.416 . . . . 0.0 104.476 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 102' ' ' ASN . 5.9 mm-40 42.95 55.65 4.35 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -176.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.606 ' HB2' HG23 ' A' ' 98' ' ' ILE . 4.3 tptp 62.15 -88.5 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 114.058 -1.428 . . . . 0.0 109.554 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.1 17.4 1.92 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.453 -1.405 . . . . 0.0 109.502 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.478 -179.491 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.455 0.645 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' ' 3' ' ' LEU . 32.4 t0 -77.94 -156.61 0.09 Allowed 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.533 -0.729 . . . . 0.0 109.512 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.501 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -49.16 -24.38 1.67 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.318 -0.864 . . . . 0.0 108.905 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -60.32 -24.02 64.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.33 -0.856 . . . . 0.0 110.247 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 8' ' ' GLU . 26.1 t0 -77.41 -44.58 28.7 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.83 -1.169 . . . . 0.0 110.529 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 5' ' ' ASP . 0.1 OUTLIER -51.66 -38.35 54.51 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 179.169 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.494 ' HE1' ' HG3' ' A' ' 45' ' ' PRO . 2.7 m95 -60.27 -35.99 76.8 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 177.303 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 5' ' ' ASP . 31.9 tt0 -58.95 -49.92 76.01 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.431 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 6.1 m -53.44 -52.66 58.74 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.42 -26.6 68.58 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.441 0.639 . . . . 0.0 109.523 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 7' ' ' TRP . 41.1 t-20 -64.42 -67.11 0.46 Allowed 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.693 -1.255 . . . . 0.0 109.947 -179.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -52.95 -17.69 1.56 Allowed 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.676 -179.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 9' ' ' THR . 7.2 m-80 -66.87 -58.69 4.51 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 117.819 -1.552 . . . . 0.0 108.18 -179.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.574 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.7 mm? -57.41 -35.6 70.26 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.066 -1.021 . . . . 0.0 108.888 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -52.8 -51.34 61.15 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.7 -0.625 . . . . 0.0 110.896 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.622 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.3 t -66.38 -53.49 35.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 O-C-N 120.695 -1.253 . . . . 0.0 110.95 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.29 -51.59 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.154 -1.591 . . . . 0.0 108.665 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -57.09 -20.33 24.73 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.108 -1.037 . . . . 0.0 108.282 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 16' ' ' VAL . 19.4 mtpt -129.56 31.44 4.78 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.428 -0.795 . . . . 0.0 110.359 -179.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.622 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -63.53 -25.2 68.14 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.912 -1.118 . . . . 0.0 110.682 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 69.5 -31.92 0.22 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.489 -0.757 . . . . 0.0 109.664 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' A' ' 20' ' ' ALA . 4.4 m120 -152.74 152.15 31.34 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.069 -1.019 . . . . 0.0 109.79 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.12 -18.02 1.3 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.247 -0.908 . . . . 0.0 109.264 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -58.9 4.3 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.135 -0.978 . . . . 0.0 110.376 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' OE1' ' O ' ' A' ' 20' ' ' ALA . 0.9 OUTLIER -66.6 -11.46 53.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.831 -1.168 . . . . 0.0 110.513 -178.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.539 HG23 ' CB ' ' A' ' 20' ' ' ALA . 4.0 t -69.96 -60.4 2.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 120.875 -1.14 . . . . 0.0 108.261 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -58.25 -29.0 65.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.398 -0.814 . . . . 0.0 110.126 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -61.37 -60.69 3.34 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.942 -1.099 . . . . 0.0 108.592 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.486 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -51.32 -42.87 61.51 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.491 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.57 -35.96 79.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.765 -1.209 . . . . 0.0 110.03 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.6 m -63.46 -29.58 70.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.702 -1.249 . . . . 0.0 108.158 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -73.43 -38.74 65.44 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.658 ' O ' ' N ' ' A' ' 37' ' ' ALA . 2.4 mtt -58.17 -42.05 85.2 Favored 'General case' 0 C--O 1.202 -1.421 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.459 HH12 HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.88 -46.46 31.56 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 178.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.67 -52.23 40.41 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.41 -20.76 66.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.43 -0.794 . . . . 0.0 109.69 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.658 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.6 -73.1 0.14 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.885 . . . . 0.0 110.797 -178.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 5.8 mt -63.53 -26.81 68.88 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.619 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.11 -39.13 85.13 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 44' ' ' THR . . . -60.31 -31.73 70.54 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.431 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -45.98 -39.3 8.8 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.835 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -92.14 7.88 40.46 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.535 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.06 107.11 0.94 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 40' ' ' ALA . 72.3 p -133.66 153.58 80.22 Favored Pre-proline 0 N--CA 1.487 1.381 0 O-C-N 121.419 -0.801 . . . . 0.0 109.762 -177.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.494 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 54.6 Cg_exo -37.98 -42.13 1.37 Allowed 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.084 1.856 . . . . 0.0 112.65 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.556 ' O ' ' O ' ' A' ' 47' ' ' LYS . 38.3 Cg_endo -101.25 5.85 0.59 Allowed 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 123.294 2.663 . . . . 0.0 110.585 178.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.556 ' O ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 36.32 111.83 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.428 0.632 . . . . 0.0 111.26 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.017 HD13 ' H ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -54.97 174.81 0.07 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 105.634 -1.987 . . . . 0.0 105.634 177.452 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 1.017 ' H ' HD13 ' A' ' 48' ' ' LEU . 32.6 mt-10 67.45 -72.12 0.09 Allowed 'General case' 0 C--N 1.292 -1.899 0 O-C-N 120.917 -1.114 . . . . 0.0 108.813 -178.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' LEU . 11.1 t70 60.58 -14.24 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.16 -0.962 . . . . 0.0 109.279 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.687 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -163.12 -87.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.451 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.687 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 4.2 m -174.46 68.58 0.3 Allowed Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 120.604 -1.31 . . . . 0.0 110.856 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.33 -73.31 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 122.584 2.189 . . . . 0.0 111.061 178.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' A' ' 55' ' ' SER . 7.5 m-20 -137.44 -54.55 0.68 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 60.3 p 114.39 -43.52 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.48 0 C-N-CA 123.889 0.876 . . . . 0.0 111.449 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.427 ' C ' ' H ' ' A' ' 58' ' ' MET . 5.1 Cg_exo -78.77 -42.9 0.18 Allowed 'Trans proline' 0 N--CA 1.491 1.35 0 CA-C-N 121.557 1.592 . . . . 0.0 110.098 177.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -54.33 -9.11 0.26 Allowed 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.411 0.624 . . . . 0.0 109.662 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.427 ' H ' ' C ' ' A' ' 56' ' ' PRO . 29.2 ttp -64.05 -45.56 88.28 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.069 -1.019 . . . . 0.0 108.677 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -53.37 -33.05 52.16 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 120.52 -1.362 . . . . 0.0 108.112 179.044 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 63' ' ' HIS . 8.4 t0 -54.05 -41.15 67.78 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.494 ' CD2' HD23 ' A' ' 48' ' ' LEU . 10.3 t80 -54.46 -32.65 58.09 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 177.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.577 ' O ' ' N ' ' A' ' 66' ' ' ASP . 20.7 ttp180 -55.41 -37.55 67.76 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 176.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 60' ' ' ASP . 30.5 t60 -51.14 -41.96 60.44 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.15 -44.27 77.16 Favored Glycine 0 N--CA 1.501 3.027 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -70.15 -37.87 75.35 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 62' ' ' ARG . 16.8 t70 -49.09 -40.78 33.25 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 mt -66.35 -64.97 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.293 -0.879 . . . . 0.0 109.3 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 pp -55.59 -41.32 73.24 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.657 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.459 HG12 HH12 ' A' ' 34' ' ' ARG . 66.0 t -67.06 -24.98 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 120.892 -1.13 . . . . 0.0 110.155 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.65 -45.18 36.82 Favored Glycine 0 N--CA 1.495 2.586 0 O-C-N 121.125 -0.984 . . . . 0.0 111.396 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.557 ' OE1' ' NE2' ' A' ' 93' ' ' GLN . 9.9 pt20 -70.6 -28.48 64.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.762 -1.434 . . . . 0.0 110.539 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.534 HD11 HD13 ' A' ' 94' ' ' LEU . 71.2 mt -60.3 -55.46 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 76' ' ' LEU . 23.9 t0 -58.08 -40.1 80.2 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.492 -0.755 . . . . 0.0 109.002 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.93 -20.56 24.17 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 117.473 -1.691 . . . . 0.0 108.408 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.01 -35.23 69.38 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 73' ' ' ASP . 7.1 tt -58.27 -39.5 79.39 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -63.73 -45.5 89.6 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 122.337 1.065 . . . . 0.0 109.865 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.548 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.1 mp -62.88 -57.86 9.37 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.495 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HA ' ' H ' ' A' ' 83' ' ' LYS . . . -46.72 -37.82 9.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.177 -0.952 . . . . 0.0 109.797 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.449 HD22 HD23 ' A' ' 76' ' ' LEU . 8.8 m-20 -59.96 -27.65 66.99 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 78' ' ' LEU . 71.7 tt0 -86.65 3.39 44.81 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.3 37.94 7.99 Favored Glycine 0 N--CA 1.495 2.611 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.385 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.435 ' H ' ' HA ' ' A' ' 79' ' ' ALA . 11.0 mmpt? -95.66 65.84 2.67 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.817 -1.402 . . . . 0.0 109.615 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.57 -44.27 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.261 -0.9 . . . . 0.0 110.497 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.412 ' H ' ' HG3' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -73.19 -54.07 9.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.224 -0.922 . . . . 0.0 110.177 -179.099 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -42.07 91.74 Favored 'General case' 0 C--N 1.29 -1.998 0 O-C-N 121.764 -0.585 . . . . 0.0 109.637 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.34 92.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.004 -1.06 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.687 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 33.9 mt-30 -65.13 -47.01 78.62 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.232 -0.917 . . . . 0.0 108.751 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.19 97.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.093 -1.004 . . . . 0.0 108.489 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.02 -25.69 67.08 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -62.16 -42.72 99.54 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -65.62 -12.66 55.22 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.57 -0.706 . . . . 0.0 109.76 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.557 ' NE2' ' OE1' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -78.23 -33.02 50.09 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 178.626 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.534 HD13 HD11 ' A' ' 72' ' ' ILE . 21.5 tp -67.42 -47.34 70.52 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -54.6 -67.7 0.25 Allowed 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 121.705 0.764 . . . . 0.0 110.029 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.4 m -62.83 -29.25 70.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.24 -0.912 . . . . 0.0 110.56 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 93' ' ' GLN . 1.3 m -49.95 -55.64 13.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.813 -1.179 . . . . 0.0 108.676 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.76 -56.05 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.356 -0.84 . . . . 0.0 109.072 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -56.04 -50.93 69.55 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.527 -1.358 . . . . 0.0 110.686 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.443 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -61.1 -30.36 70.31 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.844 -1.16 . . . . 0.0 109.279 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.573 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 3.3 m-30 -77.5 18.47 0.43 Allowed 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASN . . . . . 0.573 ' ND2' ' O ' ' A' ' 101' ' ' TYR . 1.6 m-80 74.52 58.85 0.07 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -178.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.484 ' C ' ' O ' ' A' ' 102' ' ' ASN . 5.1 mm-40 47.36 54.56 9.38 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 105.085 -2.191 . . . . 0.0 105.085 -175.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 101' ' ' TYR . 32.6 tptt 66.1 -70.72 0.1 Allowed 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 113.498 -1.683 . . . . 0.0 109.277 -177.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.17 27.59 0.68 Allowed 'General case' 0 C--N 1.292 -1.918 0 O-C-N 119.758 -1.839 . . . . 0.0 107.634 177.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 CA-C-O 118.016 -1.435 . . . . 0.0 109.6 -179.048 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 N--CA 1.488 1.456 0 CA-C-O 121.086 0.469 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 8' ' ' GLU . 13.7 t0 -75.13 -40.93 59.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.087 -1.008 . . . . 0.0 110.648 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.517 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -49.87 -40.6 43.16 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 179.143 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.517 ' N ' HD22 ' A' ' 6' ' ' ASN . 2.6 m95 -60.25 -39.56 87.19 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 5' ' ' ASP . 35.7 tt0 -59.76 -49.4 77.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.599 -0.688 . . . . 0.0 109.409 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.4 m -51.79 -50.37 60.87 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -27.99 69.57 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.281 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.405 HD22 ' HA ' ' A' ' 11' ' ' ASN . 1.8 t-20 -63.95 -67.78 0.4 Allowed 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.454 -1.404 . . . . 0.0 110.08 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.17 -19.76 0.85 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 11' ' ' ASN . 6.1 m-80 -68.65 -61.71 1.7 Allowed 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 117.987 -1.485 . . . . 0.0 108.27 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.533 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.2 mm? -53.57 -33.81 56.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.05 -1.031 . . . . 0.0 108.689 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -58.48 -51.13 71.16 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.579 -0.7 . . . . 0.0 110.691 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.654 ' O ' ' N ' ' A' ' 20' ' ' ALA . 38.4 t -67.54 -56.01 14.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.851 -1.156 . . . . 0.0 111.255 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -50.29 -44.32 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.417 0 O-C-N 120.043 -1.661 . . . . 0.0 107.472 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 4.7 mm-40 -59.63 -32.96 70.91 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' VAL . 13.7 mtpp -125.09 36.16 4.64 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.492 -0.755 . . . . 0.0 110.038 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.5 -19.12 65.39 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.291 -0.881 . . . . 0.0 110.14 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 19' ' ' LYS . 1.5 m-20 66.42 -32.95 0.18 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.517 -0.74 . . . . 0.0 109.604 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.728 HD22 HE22 ' A' ' 25' ' ' GLN . 6.0 m-80 -152.97 152.13 31.08 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.171 -0.955 . . . . 0.0 109.438 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.8 -14.78 0.4 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.935 . . . . 0.0 109.759 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.99 -57.58 5.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.008 -1.058 . . . . 0.0 110.503 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.728 HE22 HD22 ' A' ' 22' ' ' ASN . 1.8 mt-30 -65.02 -13.52 58.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.838 -1.164 . . . . 0.0 110.067 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.529 HG23 ' CB ' ' A' ' 20' ' ' ALA . 18.7 t -70.81 -51.64 34.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -55.15 -37.45 66.98 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.844 0.831 . . . . 0.0 109.177 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.87 -62.8 1.59 Allowed 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.89 -49.83 48.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.659 -0.651 . . . . 0.0 110.812 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.3 mt -58.94 -35.69 73.53 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.029 -1.044 . . . . 0.0 110.048 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.3 m -64.15 -30.39 71.46 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.89 -1.131 . . . . 0.0 108.879 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 5.4 mmtt -73.78 -42.13 61.45 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.681 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -54.4 -39.0 66.86 Favored 'General case' 0 C--O 1.2 -1.525 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.427 HH21 ' HB3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -51.31 -48.71 62.27 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 177.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.58 -54.02 23.34 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -22.4 66.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.398 -0.814 . . . . 0.0 109.672 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.82 -73.93 0.12 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.247 -0.908 . . . . 0.0 110.891 -178.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 8.7 mt -62.63 -23.89 67.31 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.289 -0.964 . . . . 0.0 109.482 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.24 -39.64 91.05 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.94 -25.79 67.8 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -47.08 -40.94 16.2 Favored 'General case' 0 N--CA 1.505 2.31 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 178.297 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -111.84 25.62 11.44 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.353 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -166.13 68.02 0.11 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.975 -1.078 . . . . 0.0 108.644 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.884 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 37.2 t80 . . . . . 0 N--CA 1.485 1.31 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.618 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -54.81 -36.71 65.26 Favored 'General case' 0 C--O 1.2 -1.516 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 176.571 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -51.05 -43.58 60.96 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.66 -49.62 54.3 Favored Glycine 0 N--CA 1.5 2.916 0 N-CA-C 108.894 -1.682 . . . . 0.0 108.894 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.95 -33.33 75.58 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.618 ' N ' ' O ' ' A' ' 62' ' ' ARG . 9.9 t0 -56.08 -37.15 68.95 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.4 mt -65.43 -67.37 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.464 -0.772 . . . . 0.0 109.325 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 pp -54.55 -45.85 73.52 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.388 -0.82 . . . . 0.0 109.687 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.542 ' HA ' HD12 ' A' ' 72' ' ' ILE . 93.8 t -65.98 -18.84 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.784 -1.197 . . . . 0.0 110.269 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.86 -49.43 42.17 Favored Glycine 0 N--CA 1.493 2.436 0 C-N-CA 119.991 -1.1 . . . . 0.0 110.956 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.422 ' OE1' ' OE1' ' A' ' 93' ' ' GLN . 1.8 pt20 -72.0 -22.61 61.39 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.807 -1.408 . . . . 0.0 110.658 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.859 HD11 HD13 ' A' ' 94' ' ' LEU . 83.7 mt -61.22 -61.68 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.437 -1.414 . . . . 0.0 107.797 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -56.45 -32.77 65.24 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -62.3 -21.83 65.56 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.576 -1.649 . . . . 0.0 107.997 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.51 -34.38 70.04 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 176.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.91 -39.52 85.71 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -63.97 -46.55 84.15 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 122.502 1.144 . . . . 0.0 109.542 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.5 mp -63.92 -55.7 20.69 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.642 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.04 -37.08 6.27 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.128 -0.983 . . . . 0.0 109.713 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -64.49 -27.71 69.16 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.581 ' N ' ' O ' ' A' ' 78' ' ' LEU . 27.0 tt0 -86.05 4.74 36.68 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.58 40.17 6.46 Favored Glycine 0 N--CA 1.497 2.707 0 O-C-N 121.128 -0.983 . . . . 0.0 111.54 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -101.15 66.72 1.14 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.939 -1.33 . . . . 0.0 109.416 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.1 t -62.76 -58.49 7.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 O-C-N 121.645 -0.659 . . . . 0.0 110.598 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -47.21 59.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.219 -0.926 . . . . 0.0 109.78 -178.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.33 -47.01 87.01 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 121.76 -0.587 . . . . 0.0 109.87 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.36 90.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.933 -1.104 . . . . 0.0 108.688 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.64 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 26.2 mt-30 -64.86 -41.05 96.0 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.19 96.36 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.5 -21.72 62.74 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -65.09 -50.15 67.23 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.273 -0.892 . . . . 0.0 109.338 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.71 -12.82 18.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.097 -1.002 . . . . 0.0 109.101 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.614 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.93 -39.85 61.15 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 178.46 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.859 HD13 HD11 ' A' ' 72' ' ' ILE . 57.1 tp -67.13 -41.52 86.01 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.437 -0.789 . . . . 0.0 109.112 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -57.55 -63.11 1.35 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.101 -0.999 . . . . 0.0 109.199 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 m -65.41 -25.48 67.56 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.369 -0.832 . . . . 0.0 110.473 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.614 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 4.9 m -49.64 -58.42 5.3 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.694 -1.254 . . . . 0.0 108.302 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.3 mp -57.61 -55.74 19.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.66 -0.65 . . . . 0.0 109.914 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.547 ' HE ' ' C ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -57.99 -49.48 76.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.726 -1.234 . . . . 0.0 110.862 -179.056 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.48 -35.92 77.05 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.988 -1.07 . . . . 0.0 109.522 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.488 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.1 m-30 -69.57 -5.0 21.53 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.5 t30 90.62 66.34 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 -176.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.572 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.0 OUTLIER 47.36 54.84 9.01 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -176.606 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 30.5 tptt 63.21 -95.03 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 113.897 -1.501 . . . . 0.0 108.744 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 104' ' ' LYS . 22.2 m-85 -145.71 20.6 1.48 Allowed 'General case' 0 N--CA 1.503 2.225 0 O-C-N 119.636 -1.915 . . . . 0.0 109.914 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.398 0 CA-C-O 118.067 -1.407 . . . . 0.0 109.657 179.556 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 . . . . . 0 N--CA 1.485 1.283 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' GLU . 12.4 p-10 -76.65 -48.09 20.13 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.108 -0.995 . . . . 0.0 110.497 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.688 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -49.65 -39.58 36.64 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 179.109 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.688 ' N ' HD22 ' A' ' 6' ' ' ASN . 4.3 m95 -59.19 -37.17 76.77 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.761 178.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ASP . 15.5 tm-20 -61.32 -43.09 99.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.392 -0.817 . . . . 0.0 109.128 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.433 HG22 ' HB2' ' A' ' 36' ' ' ALA . 2.7 m -55.64 -52.46 63.73 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.07 -28.58 69.88 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.44 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -59.02 -65.23 0.7 Allowed 'General case' 0 C--N 1.29 -1.984 0 O-C-N 120.81 -1.181 . . . . 0.0 110.523 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -52.53 -23.04 5.59 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.565 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.57 -56.93 10.81 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 117.548 -1.661 . . . . 0.0 108.537 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.0 mm? -58.57 -35.69 72.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.062 -1.024 . . . . 0.0 109.136 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -54.24 -51.3 64.93 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.705 -0.622 . . . . 0.0 110.633 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.615 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.6 t -68.48 -56.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 120.868 -1.145 . . . . 0.0 111.659 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -42.33 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.481 0 O-C-N 120.009 -1.682 . . . . 0.0 107.987 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 7.9 mm-40 -62.58 -26.14 68.44 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' A' ' 16' ' ' VAL . 14.7 mtpp -129.0 32.03 4.81 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.5 -0.75 . . . . 0.0 110.282 -178.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.615 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.1 -13.4 47.42 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.992 -1.068 . . . . 0.0 110.748 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 66.59 -35.62 0.24 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.357 -0.84 . . . . 0.0 109.825 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.557 HD22 HE22 ' A' ' 25' ' ' GLN . 3.8 m-80 -152.96 151.71 30.62 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.249 -0.907 . . . . 0.0 109.731 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.484 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -52.93 -14.95 0.65 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.143 -0.973 . . . . 0.0 109.18 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.71 -58.79 4.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.866 -1.146 . . . . 0.0 110.031 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.557 HE22 HD22 ' A' ' 22' ' ' ASN . 1.2 mp0 -65.57 -12.92 57.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.789 -1.194 . . . . 0.0 109.863 -179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.512 HG23 ' CB ' ' A' ' 20' ' ' ALA . 18.6 t -70.48 -46.97 68.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HG2' ' ND2' ' A' ' 80' ' ' ASN . 35.5 mtpt -54.99 -43.59 73.7 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.945 0.879 . . . . 0.0 108.923 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.52 -60.79 3.16 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.512 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -44.04 -52.05 7.39 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.256 0.55 . . . . 0.0 110.583 -178.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.94 -32.7 71.04 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.17 -0.956 . . . . 0.0 110.547 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 m -66.28 -30.54 70.99 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.347 -1.47 . . . . 0.0 108.027 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HG2' ' H ' ' A' ' 32' ' ' LYS . 4.5 mmtt -69.7 -41.11 75.82 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 178.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.686 ' O ' ' N ' ' A' ' 37' ' ' ALA . 1.3 mtp -54.29 -51.73 63.69 Favored 'General case' 0 C--O 1.2 -1.542 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.474 ' NH2' ' O ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -37.31 -49.99 0.99 Allowed 'General case' 0 N--CA 1.501 2.08 0 CA-C-O 121.869 0.842 . . . . 0.0 109.244 179.179 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.99 -55.69 13.35 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.299 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.433 ' HB2' HG22 ' A' ' 9' ' ' THR . . . -66.23 -21.35 66.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.476 -0.765 . . . . 0.0 110.208 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.686 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -63.09 -69.84 0.24 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.119 -0.988 . . . . 0.0 109.981 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.41 -19.7 66.06 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.208 -0.933 . . . . 0.0 109.429 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -61.73 -40.99 97.03 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 43' ' ' ALA . . . -58.52 -35.72 72.71 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -41.45 13.33 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -86.25 -5.01 59.28 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.786 -0.572 . . . . 0.0 110.617 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -162.85 93.12 0.8 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.725 -1.234 . . . . 0.0 108.952 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.692 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 64' ' ' GLY . 4.1 t80 . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 106.541 -1.652 . . . . 0.0 106.541 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 66' ' ' ASP . 1.1 ttt180 -53.51 -34.03 56.63 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 176.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -55.56 -38.1 68.88 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -70.14 -44.73 59.34 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.259 -1.537 . . . . 0.0 109.259 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.565 ' O ' HG22 ' A' ' 69' ' ' VAL . 12.6 m-85 -72.11 -43.02 65.41 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 62' ' ' ARG . 10.7 t70 -43.75 -38.84 3.39 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mm -67.33 -66.61 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 O-C-N 121.759 -0.588 . . . . 0.0 110.035 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 pp -55.37 -48.45 74.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.192 -0.943 . . . . 0.0 110.503 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 65' ' ' PHE . 5.8 m -64.81 -21.51 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 120.438 -1.414 . . . . 0.0 109.794 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.427 ' O ' ' OD1' ' A' ' 73' ' ' ASP . . . -68.89 -48.24 49.76 Favored Glycine 0 N--CA 1.496 2.697 0 O-C-N 121.319 -0.863 . . . . 0.0 111.172 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.554 ' NE2' ' OE1' ' A' ' 93' ' ' GLN . 1.6 pt20 -71.99 -26.16 62.13 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.695 -1.473 . . . . 0.0 109.11 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.408 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 4.0 mm -61.15 -57.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 3.5 p30 -58.79 -32.24 69.15 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.546 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 22.8 t70 -59.82 -20.0 54.22 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 117.743 -1.583 . . . . 0.0 107.327 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 72' ' ' ILE . . . -72.57 -35.43 67.95 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 176.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.467 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 5.0 tt -57.77 -39.76 78.2 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 177.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -64.12 -45.18 89.7 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 122.337 1.065 . . . . 0.0 110.034 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.3 mp -64.47 -53.99 39.55 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.82 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.15 -32.88 4.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.084 -1.01 . . . . 0.0 109.209 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.7 m120 -65.73 -30.28 70.92 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 78' ' ' LEU . 24.6 tt0 -86.12 7.12 26.09 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.06 42.97 5.79 Favored Glycine 0 N--CA 1.497 2.742 0 O-C-N 121.253 -0.904 . . . . 0.0 111.474 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -101.2 70.95 1.36 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.972 -1.311 . . . . 0.0 109.894 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.484 HG22 ' HB2' ' A' ' 23' ' ' ALA . 39.9 t -63.6 -52.34 58.86 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 CA-C-O 121.279 0.561 . . . . 0.0 110.033 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -74.8 -50.7 16.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.383 -0.823 . . . . 0.0 110.389 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.65 -42.89 79.71 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.493 -0.754 . . . . 0.0 109.875 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.79 84.18 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.04 -1.037 . . . . 0.0 109.85 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.579 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 25.1 mt-30 -63.58 -39.6 94.8 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.029 -1.044 . . . . 0.0 108.681 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.1 96.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.971 -1.081 . . . . 0.0 108.248 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.95 -22.54 65.72 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -63.58 -52.0 62.9 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.842 -1.161 . . . . 0.0 108.535 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.27 -11.21 29.44 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.378 -0.826 . . . . 0.0 110.385 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.647 ' C ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -76.43 -32.61 58.58 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.7 tp -66.06 -51.55 57.08 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -50.54 -65.19 0.6 Allowed 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.613 0.72 . . . . 0.0 109.799 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 m -64.19 -32.17 73.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.274 -0.891 . . . . 0.0 110.571 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.583 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.7 m -49.88 -54.97 16.2 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.696 -1.253 . . . . 0.0 108.988 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.04 -55.9 12.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.017 -1.052 . . . . 0.0 108.448 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -58.53 -50.55 73.35 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.692 -1.255 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.17 -31.71 71.45 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.992 -1.068 . . . . 0.0 109.794 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.8 m-30 -72.77 -6.34 44.08 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.0 OUTLIER 91.25 66.2 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 104.62 -2.363 . . . . 0.0 104.62 -176.621 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.448 ' HA ' ' NE2' ' A' ' 103' ' ' GLN . 0.8 OUTLIER 46.39 57.49 5.33 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -176.017 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.1 tptt 60.9 -80.37 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.204 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.82 2.77 1.06 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.111 -1.618 . . . . 0.0 109.75 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.118 0 CA-C-O 118.015 -1.436 . . . . 0.0 110.407 179.459 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.34 0.591 . . . . 0.0 109.772 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -76.46 -35.6 58.37 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.832 -1.168 . . . . 0.0 109.889 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.649 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -52.46 -41.9 63.71 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 178.45 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.649 ' N ' HD22 ' A' ' 6' ' ' ASN . 2.1 m95 -57.52 -41.01 80.01 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.3 -45.49 87.89 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.446 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.8 m -56.0 -56.28 22.63 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.35 -24.01 67.66 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.341 0.591 . . . . 0.0 109.892 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -63.83 -68.9 0.31 Allowed 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.63 -1.294 . . . . 0.0 109.925 -179.324 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.65 -16.43 2.46 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.88 -0.513 . . . . 0.0 109.89 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 9' ' ' THR . 5.9 m-80 -66.59 -56.85 8.81 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 117.917 -1.513 . . . . 0.0 108.332 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.2 mm? -57.07 -34.6 68.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.11 -0.994 . . . . 0.0 108.931 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -58.27 -45.39 87.97 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.722 -0.611 . . . . 0.0 110.098 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.635 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.7 t -68.52 -59.09 4.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.848 -1.158 . . . . 0.0 110.699 -178.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -46.27 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 O-C-N 120.431 -1.418 . . . . 0.0 107.814 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 4.6 mm-40 -57.85 -31.14 66.38 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 16' ' ' VAL . 17.7 mtpt -127.08 36.55 4.42 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.482 -0.761 . . . . 0.0 110.116 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.635 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.99 -15.14 61.96 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.247 -0.908 . . . . 0.0 110.416 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 64.5 -31.66 0.13 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.698 -0.626 . . . . 0.0 109.96 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.628 HD22 HE22 ' A' ' 25' ' ' GLN . 8.2 m-80 -154.39 152.64 30.43 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.141 -0.974 . . . . 0.0 109.72 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.04 -13.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.165 -0.959 . . . . 0.0 109.383 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 22' ' ' ASN . . . -66.27 -62.52 1.43 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.24 -0.913 . . . . 0.0 110.236 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.628 HE22 HD22 ' A' ' 22' ' ' ASN . 2.0 mt-30 -66.53 -10.82 48.87 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.963 -1.086 . . . . 0.0 110.425 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.498 HG23 ' CB ' ' A' ' 20' ' ' ALA . 12.1 t -69.2 -59.76 3.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 120.913 -1.117 . . . . 0.0 108.104 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.441 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 15.2 ptmt -57.92 -32.28 67.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.555 -0.716 . . . . 0.0 110.111 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -61.15 2.7 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.148 -0.97 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.434 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -50.56 -41.62 54.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.744 -0.597 . . . . 0.0 110.624 -178.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.524 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 14.7 mt -60.23 -42.26 94.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.763 -1.211 . . . . 0.0 109.741 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.9 m -58.57 -34.02 70.59 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.886 -1.134 . . . . 0.0 109.316 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -72.25 -38.68 68.82 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.628 ' O ' ' N ' ' A' ' 37' ' ' ALA . 3.7 mtm -60.77 -42.26 97.12 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.524 ' NH1' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -48.23 -50.81 28.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.94 -1.1 . . . . 0.0 108.148 178.568 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.25 -52.4 41.28 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.292 0.568 . . . . 0.0 109.665 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.58 -25.31 68.18 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 0.0 109.322 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.628 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.63 -72.03 0.18 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.259 -0.9 . . . . 0.0 111.309 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.424 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 11.6 mt -58.78 -22.6 58.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.102 -0.998 . . . . 0.0 108.88 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -61.74 -37.96 86.16 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -63.17 -28.35 69.99 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.633 HE21 ' C ' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -44.17 -46.05 8.64 Favored 'General case' 0 N--CA 1.511 2.597 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 178.02 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -106.92 23.05 15.0 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.303 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.79 55.14 0.11 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.754 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 64' ' ' GLY . 15.1 t80 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.577 ' O ' ' N ' ' A' ' 66' ' ' ASP . 14.7 ttp180 -52.45 -31.94 37.18 Favored 'General case' 0 C--O 1.203 -1.381 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 176.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 53.4 t60 -54.41 -33.83 60.14 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 177.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -71.62 -52.02 13.99 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -70.49 -36.91 74.09 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.487 -1.008 . . . . 0.0 108.884 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 62' ' ' ARG . 14.7 t70 -54.45 -41.5 69.53 Favored 'General case' 0 C--N 1.29 -2.002 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.1 mm -64.25 -64.15 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.407 -0.808 . . . . 0.0 110.226 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.42 HD13 HD11 ' A' ' 94' ' ' LEU . 2.2 pp -53.81 -45.85 70.93 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.239 -0.913 . . . . 0.0 109.992 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.405 HG22 ' HE ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -67.5 -17.47 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 120.548 -1.345 . . . . 0.0 109.923 178.514 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.59 -57.56 8.89 Favored Glycine 0 N--CA 1.487 2.046 0 C-N-CA 119.71 -1.233 . . . . 0.0 111.727 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.406 HE21 ' HB2' ' A' ' 71' ' ' GLN . 2.0 pt20 -72.72 -26.13 61.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.749 -1.442 . . . . 0.0 110.029 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.51 HG21 ' NH2' ' A' ' 34' ' ' ARG . 3.6 mm -60.52 -57.12 13.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 121.167 -0.958 . . . . 0.0 109.037 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -56.82 -36.66 70.21 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.1 -20.91 64.54 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 117.475 -1.69 . . . . 0.0 107.734 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 72' ' ' ILE . . . -71.61 -34.81 70.16 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 176.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.533 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 5.4 tt -57.97 -39.52 78.36 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 177.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -65.84 -47.67 74.21 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.421 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.3 mp -63.12 -55.91 21.32 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 121.685 -0.634 . . . . 0.0 109.814 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HA ' ' H ' ' A' ' 83' ' ' LYS . . . -44.69 -39.47 5.14 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.085 -1.009 . . . . 0.0 109.615 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.4 m120 -60.45 -30.4 69.64 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.604 ' N ' ' O ' ' A' ' 78' ' ' LEU . 11.9 tp10 -84.53 3.09 38.13 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.4 43.96 5.41 Favored Glycine 0 N--CA 1.498 2.809 0 O-C-N 121.212 -0.93 . . . . 0.0 111.918 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.409 ' H ' ' HA ' ' A' ' 79' ' ' ALA . 25.6 mmtp -103.61 68.49 0.94 Allowed 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.886 -1.361 . . . . 0.0 109.547 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.5 t -61.84 -42.44 94.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 O-C-N 121.484 -0.76 . . . . 0.0 110.782 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -55.21 6.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.038 -1.039 . . . . 0.0 110.205 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -44.31 90.05 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.683 -0.636 . . . . 0.0 110.128 -178.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.4 -49.65 74.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.927 -1.108 . . . . 0.0 109.322 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.614 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 27.1 mt-30 -62.67 -37.74 87.61 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.25 81.38 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.0 -23.53 66.48 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 178.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.58 -54.31 34.0 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.749 -0.594 . . . . 0.0 109.714 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.58 -15.42 38.75 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.076 -1.015 . . . . 0.0 109.346 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.607 ' NE2' ' HG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -75.35 -43.22 51.71 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 179.125 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.538 ' CD2' ' SD ' ' A' ' 33' ' ' MET . 16.0 tp -67.14 -38.72 86.03 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.118 -0.989 . . . . 0.0 109.217 178.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -56.7 -69.69 0.14 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.116 -0.99 . . . . 0.0 109.857 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 100' ' ' ALA . 0.7 OUTLIER -64.46 -23.91 67.44 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.388 -0.82 . . . . 0.0 110.247 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.607 ' HG1' ' NE2' ' A' ' 93' ' ' GLN . 1.9 m -48.46 -60.64 2.52 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.641 -1.287 . . . . 0.0 108.297 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.0 -57.67 7.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.791 -0.568 . . . . 0.0 109.645 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -58.22 -50.89 71.96 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.661 -1.275 . . . . 0.0 110.784 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 96' ' ' THR . . . -62.0 -29.62 70.39 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.886 -1.134 . . . . 0.0 109.304 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.51 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.3 m-30 -73.0 -6.42 45.33 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.2 t30 90.59 64.9 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -176.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.512 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.3 OUTLIER 47.81 56.89 6.57 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 -176.307 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.5 tptt 58.72 -83.16 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.314 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.64 10.15 1.21 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.382 -1.449 . . . . 0.0 109.087 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.007 0 CA-C-O 118.112 -1.382 . . . . 0.0 109.682 -179.868 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 120.957 0.408 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 22.0 p-10 -74.31 -36.96 63.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.802 -1.186 . . . . 0.0 110.991 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.529 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -52.76 -39.91 62.63 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.1 -1.815 . . . . 0.0 106.1 179.102 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.546 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.6 m95 -62.08 -43.79 98.08 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -51.78 -47.92 64.01 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.518 -0.739 . . . . 0.0 109.409 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.412 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 1.2 m -54.35 -57.3 11.79 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.487 ' CD1' ' HB1' ' A' ' 36' ' ' ALA . 1.2 mp -65.51 -24.92 67.25 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 121.497 0.665 . . . . 0.0 109.309 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.546 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.6 OUTLIER -63.23 -65.74 0.64 Allowed 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.694 -1.254 . . . . 0.0 109.919 -178.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.92 -18.82 3.76 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.752 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 9' ' ' THR . 7.3 m-80 -65.73 -58.22 6.18 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 117.804 -1.558 . . . . 0.0 108.581 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.4 mm? -56.14 -33.59 65.32 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.148 -0.97 . . . . 0.0 109.011 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HZ1' ' HE2' ' A' ' 19' ' ' LYS . 13.7 ttpp -59.11 -49.42 77.96 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.706 -0.621 . . . . 0.0 111.038 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' ALA . 3.1 t -66.87 -53.2 36.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 120.632 -1.292 . . . . 0.0 111.03 -178.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.459 HD11 ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -50.96 -45.03 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 120.21 -1.556 . . . . 0.0 107.89 -179.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' HA ' HE21 ' A' ' 88' ' ' GLN . 3.9 mm-40 -60.81 -25.97 66.98 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 16' ' ' VAL . 12.1 mtpt -127.73 38.08 4.1 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.575 -0.703 . . . . 0.0 109.508 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.04 -34.02 77.07 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.468 -0.77 . . . . 0.0 111.32 -179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 1.7 m-20 72.69 -35.34 0.32 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.238 -0.914 . . . . 0.0 109.135 -178.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.762 HD22 HE22 ' A' ' 25' ' ' GLN . 9.3 m-80 -152.26 153.85 34.57 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.149 -0.97 . . . . 0.0 109.901 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.78 -19.33 4.14 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.293 -0.879 . . . . 0.0 109.511 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.01 -54.06 36.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.201 -0.937 . . . . 0.0 109.949 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.762 HE22 HD22 ' A' ' 22' ' ' ASN . 1.9 mt-30 -70.26 -14.68 62.71 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.801 -1.187 . . . . 0.0 110.437 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.02 -63.89 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 120.91 -1.119 . . . . 0.0 108.728 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -26.43 39.48 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.789 -0.57 . . . . 0.0 109.706 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 3.2 t70 -60.54 -61.76 2.36 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.973 -1.079 . . . . 0.0 108.51 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.48 -48.82 47.51 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.709 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.01 -36.42 72.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.928 -1.108 . . . . 0.0 109.623 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.2 m -64.69 -30.88 71.91 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.623 -1.298 . . . . 0.0 108.475 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 28' ' ' ASP . 6.0 mmtt -73.72 -37.66 65.06 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.671 ' O ' ' N ' ' A' ' 37' ' ' ALA . 7.1 mtt -56.53 -44.04 80.43 Favored 'General case' 0 C--O 1.199 -1.554 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.52 HH12 ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.26 -49.63 23.08 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.258 -0.901 . . . . 0.0 108.779 179.136 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.62 -50.96 63.11 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 119.526 -0.87 . . . . 0.0 108.721 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.487 ' HB1' ' CD1' ' A' ' 10' ' ' LEU . . . -68.19 -21.61 64.87 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.415 -0.803 . . . . 0.0 109.958 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -63.58 -70.41 0.22 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.159 -0.963 . . . . 0.0 110.631 -178.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -32.83 72.22 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.671 -1.212 . . . . 0.0 110.285 -178.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -58.59 -35.68 72.79 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -63.63 -33.92 76.69 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 176.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -41.13 -33.28 0.33 Allowed 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.063 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -78.76 0.17 Allowed 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.53 108.02 18.37 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -178.936 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -56.86 -33.66 67.03 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -53.36 -36.16 61.07 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.16 -46.08 45.4 Favored Glycine 0 N--CA 1.497 2.735 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -73.3 -41.04 64.04 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.429 -1.042 . . . . 0.0 108.715 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -50.31 -43.95 53.91 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -177.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.6 mm -63.04 -64.34 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.283 -0.885 . . . . 0.0 109.498 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.3 pp -56.42 -40.9 75.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.0 -1.063 . . . . 0.0 109.868 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.52 ' CG1' HH12 ' A' ' 34' ' ' ARG . 63.6 t -66.5 -22.41 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.879 -1.138 . . . . 0.0 110.57 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.87 -48.15 35.48 Favored Glycine 0 N--CA 1.497 2.718 0 O-C-N 121.041 -1.037 . . . . 0.0 112.151 -177.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' A' ' 71' ' ' GLN . 1.8 pt20 -73.42 -28.05 61.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.609 -1.524 . . . . 0.0 110.298 -178.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 mm -59.49 -56.73 15.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 O-C-N 121.092 -1.005 . . . . 0.0 108.872 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.6 p30 -58.31 -31.85 67.9 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 12.1 t70 -63.55 -22.09 66.7 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.089 -1.632 . . . . 0.0 108.031 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.19 -33.03 65.18 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 176.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.551 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 8.6 tt -57.52 -35.69 70.6 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -64.87 -46.51 81.48 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.003 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 81' ' ' GLU . 6.2 mp -63.42 -57.06 11.49 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 121.714 -0.616 . . . . 0.0 109.718 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.98 -34.16 3.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.095 -1.003 . . . . 0.0 109.896 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.7 m120 -65.71 -28.23 68.91 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 78' ' ' LEU . 19.3 tt0 -88.24 13.68 10.98 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.547 -0.721 . . . . 0.0 109.471 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.76 35.51 13.2 Favored Glycine 0 N--CA 1.498 2.794 0 O-C-N 121.218 -0.926 . . . . 0.0 111.93 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -101.25 66.38 1.11 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.816 -1.402 . . . . 0.0 110.683 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.98 -43.85 96.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 O-C-N 121.247 -0.908 . . . . 0.0 110.219 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.11 -49.75 22.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.137 -0.977 . . . . 0.0 110.233 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.25 -42.98 96.45 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.502 -0.749 . . . . 0.0 109.886 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.15 -42.95 88.34 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.931 -1.105 . . . . 0.0 109.625 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.624 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 32.4 mt-30 -61.99 -41.02 97.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.99 -1.069 . . . . 0.0 108.254 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.5 97.89 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.34 -24.18 66.27 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.3 -43.26 95.29 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.38 -15.58 60.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.378 -0.826 . . . . 0.0 109.25 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.59 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -76.1 -42.22 47.86 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.14 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.5 HD23 HD21 ' A' ' 14' ' ' LEU . 56.7 tp -64.81 -42.9 94.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.258 -0.901 . . . . 0.0 109.181 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -54.73 -62.19 1.82 Allowed 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.059 -1.026 . . . . 0.0 108.893 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.09 -23.26 64.91 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.426 -0.796 . . . . 0.0 110.501 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.59 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 19.3 m -49.82 -57.95 6.35 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.496 -1.378 . . . . 0.0 108.114 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.5 mp -59.35 -56.51 16.64 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 121.959 -0.463 . . . . 0.0 110.515 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -57.99 -46.73 84.74 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.572 -1.33 . . . . 0.0 111.386 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -61.31 -41.4 96.94 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.756 -1.215 . . . . 0.0 109.373 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.491 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.9 m-30 -66.28 -0.62 2.69 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.6 t30 85.48 69.1 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 -178.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.497 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.2 OUTLIER 46.19 54.57 8.17 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 -176.591 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.9 tptt 60.19 -70.16 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.239 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -142.53 -12.29 0.79 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.482 -1.386 . . . . 0.0 109.696 178.312 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.416 ' OXT' ' O ' ' A' ' 105' ' ' TYR . . . . . . . . 0 N--CA 1.496 2.696 0 CA-C-O 118.075 -1.403 . . . . 0.0 110.41 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 121.184 0.516 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.03 -32.64 63.43 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.651 -1.281 . . . . 0.0 109.481 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -51.51 -45.17 62.78 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 178.039 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.506 ' N ' ' ND2' ' A' ' 6' ' ' ASN . 1.8 m95 -55.48 -40.04 71.16 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.415 ' OE2' ' OD2' ' A' ' 12' ' ' ASP . 4.6 tm-20 -61.03 -40.13 92.39 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.437 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.0 m -57.65 -54.25 48.95 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.592 HD12 ' HB1' ' A' ' 36' ' ' ALA . 7.6 mp -64.72 -29.36 70.34 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.605 0.717 . . . . 0.0 109.269 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 7' ' ' TRP . 1.2 t-20 -60.15 -64.96 0.76 Allowed 'General case' 0 C--N 1.29 -2.004 0 O-C-N 120.567 -1.333 . . . . 0.0 109.85 -179.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.415 ' OD2' ' OE2' ' A' ' 8' ' ' GLU . 91.6 m-20 -54.33 -21.55 9.72 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.631 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 9' ' ' THR . 10.8 m-80 -68.27 -61.35 1.88 Allowed 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 118.148 -1.421 . . . . 0.0 108.046 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.2 mm? -55.25 -33.14 62.9 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.254 -0.904 . . . . 0.0 109.387 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -54.78 -55.36 30.88 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.58 -0.7 . . . . 0.0 110.887 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.1 t -63.79 -50.55 77.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 120.734 -1.229 . . . . 0.0 111.172 -178.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.73 -53.98 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 120.154 -1.591 . . . . 0.0 108.464 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.13 -18.37 9.76 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.475 -0.89 . . . . 0.0 108.763 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 16' ' ' VAL . 22.3 mtpt -129.13 28.32 5.29 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.385 -0.822 . . . . 0.0 110.034 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.618 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.47 -17.99 64.35 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.096 -1.003 . . . . 0.0 110.966 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 68.74 -33.29 0.24 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.557 -0.715 . . . . 0.0 109.505 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.557 HD22 HE22 ' A' ' 25' ' ' GLN . 4.5 m-80 -153.23 149.51 28.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.17 -0.956 . . . . 0.0 109.775 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.613 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -52.69 -9.93 0.14 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 0.0 109.338 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' A' ' 22' ' ' ASN . . . -68.38 -61.6 1.77 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.006 -1.059 . . . . 0.0 110.183 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.557 HE22 HD22 ' A' ' 22' ' ' ASN . 1.4 mp0 -65.98 -11.32 46.87 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.871 -1.143 . . . . 0.0 110.042 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.525 HG23 ' CB ' ' A' ' 20' ' ' ALA . 18.2 t -69.89 -58.01 6.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.116 -0.99 . . . . 0.0 108.473 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 14.1 ptmt -57.41 -33.61 68.05 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.285 -0.884 . . . . 0.0 109.837 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -63.08 -58.71 6.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.086 -1.009 . . . . 0.0 108.364 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.491 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -49.21 -45.04 43.78 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.073 0.463 . . . . 0.0 110.66 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.405 HD13 ' N ' ' A' ' 76' ' ' LEU . 18.6 mt -60.23 -35.33 75.21 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.069 -1.019 . . . . 0.0 110.335 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 m -64.4 -30.51 71.55 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.523 -1.36 . . . . 0.0 107.997 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -73.26 -37.24 66.39 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.667 ' O ' ' N ' ' A' ' 37' ' ' ALA . 11.1 mtp -59.68 -40.63 88.47 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.67 -46.98 20.34 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.98 -50.29 66.94 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.592 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -68.34 -18.17 64.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.336 -0.853 . . . . 0.0 109.411 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -65.28 -71.23 0.19 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.246 -0.909 . . . . 0.0 110.832 -178.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.431 HD21 HH21 ' A' ' 62' ' ' ARG . 5.4 mt -64.28 -23.52 67.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.064 -1.023 . . . . 0.0 109.563 -178.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -62.58 -35.81 80.71 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.665 ' HB1' ' CG2' ' A' ' 44' ' ' THR . . . -57.66 -39.72 77.68 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 177.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -48.3 -36.64 14.61 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.661 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -98.21 -1.26 42.46 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.67 -0.644 . . . . 0.0 112.323 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.42 90.06 0.71 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.344 -1.472 . . . . 0.0 109.413 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.665 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.301 -1.526 0 O-C-N 121.468 -0.77 . . . . 0.0 108.949 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.3 t80 . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.431 HH21 HD21 ' A' ' 38' ' ' LEU . 17.5 ttt180 -57.7 -35.67 70.94 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 176.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -50.98 -40.65 58.4 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.72 -44.24 81.73 Favored Glycine 0 N--CA 1.497 2.757 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.528 ' CZ ' HG21 ' A' ' 44' ' ' THR . 29.6 m-85 -70.72 -44.88 65.97 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' PHE . 66.7 t0 -37.86 -44.09 0.73 Allowed 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.615 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mt -68.59 -62.08 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.445 -0.784 . . . . 0.0 110.038 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 pp -58.08 -47.16 84.04 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.001 -1.062 . . . . 0.0 111.14 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' ' 72' ' ' ILE . 9.2 m -62.07 -21.25 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 120.187 -1.571 . . . . 0.0 109.626 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.75 -41.92 88.0 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -24.81 60.54 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.07 -1.253 . . . . 0.0 110.33 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 69' ' ' VAL . 79.4 mt -60.42 -57.81 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.75 -1.219 . . . . 0.0 107.778 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' LEU . 2.8 p30 -61.33 -37.44 83.27 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.769 -0.582 . . . . 0.0 109.653 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.65 -22.17 61.53 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.085 -1.634 . . . . 0.0 108.109 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.28 -33.57 69.86 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.507 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 5.8 tt -59.61 -39.96 85.98 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 177.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -63.37 -45.38 91.43 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 122.119 0.961 . . . . 0.0 109.895 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.4 mp -64.63 -54.61 29.16 Favored 'General case' 0 C--N 1.291 -1.952 0 O-C-N 121.829 -0.545 . . . . 0.0 109.978 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.08 -41.25 11.98 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.051 -1.031 . . . . 0.0 109.522 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 0.7 OUTLIER -62.63 -26.45 68.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.953 -1.092 . . . . 0.0 108.316 178.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 78' ' ' LEU . 46.0 tt0 -86.41 7.44 25.76 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.01 34.29 8.99 Favored Glycine 0 N--CA 1.495 2.595 0 O-C-N 121.116 -0.99 . . . . 0.0 111.333 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -95.39 72.08 3.22 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.78 -1.424 . . . . 0.0 109.342 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.613 HG22 ' HB2' ' A' ' 23' ' ' ALA . 59.2 t -62.57 -59.58 4.12 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 CA-C-O 121.307 0.575 . . . . 0.0 110.166 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -49.03 25.46 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.416 -0.802 . . . . 0.0 110.472 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -53.69 -44.02 69.42 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.593 -0.692 . . . . 0.0 109.812 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.94 83.96 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.906 -1.122 . . . . 0.0 109.664 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.739 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 31.2 mt-30 -62.95 -43.81 97.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.128 -0.983 . . . . 0.0 108.816 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.4 98.41 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.192 -0.942 . . . . 0.0 108.911 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.19 -25.52 67.09 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -62.72 -46.87 86.08 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -63.16 -12.86 30.89 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.486 -0.758 . . . . 0.0 109.013 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.594 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.39 -42.26 59.56 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.684 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -70.21 -35.77 74.11 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.718 -0.793 . . . . 0.0 109.317 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -56.25 -64.83 0.73 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.768 -1.208 . . . . 0.0 108.352 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.6 m -66.84 -20.97 66.03 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.292 -0.88 . . . . 0.0 110.454 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.594 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 18.6 m -50.12 -55.98 12.79 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.472 -1.392 . . . . 0.0 107.92 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.463 HG23 ' HB2' ' A' ' 104' ' ' LYS . 1.4 mp -58.19 -56.03 18.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -58.05 -50.37 73.68 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.53 -1.356 . . . . 0.0 111.033 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.83 73.42 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.029 -1.045 . . . . 0.0 110.148 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.506 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.5 m-30 -70.24 -1.74 11.22 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.7 t30 89.62 63.97 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 105.058 -2.201 . . . . 0.0 105.058 -176.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.543 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.1 OUTLIER 47.76 54.4 9.93 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 -176.533 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.463 ' HB2' HG23 ' A' ' 98' ' ' ILE . 14.5 tptp 60.61 -84.63 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.365 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.88 11.32 1.6 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.599 -1.313 . . . . 0.0 109.054 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 CA-C-O 117.942 -1.477 . . . . 0.0 109.591 -179.836 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.547 0.689 . . . . 0.0 109.191 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 8' ' ' GLU . 5.6 t70 -77.26 -42.56 36.62 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.253 -0.904 . . . . 0.0 109.952 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.659 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -50.2 -40.79 48.25 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 178.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.659 ' N ' HD22 ' A' ' 6' ' ' ASN . 2.6 m95 -58.8 -37.35 76.16 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 177.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' ASP . 39.1 tt0 -60.34 -41.68 94.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.531 -0.731 . . . . 0.0 109.449 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.471 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 5.1 m -57.12 -52.04 66.88 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.451 HD12 ' HB1' ' A' ' 36' ' ' ALA . 5.7 mp -64.13 -28.13 69.56 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.613 0.721 . . . . 0.0 109.151 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -65.62 0.66 Allowed 'General case' 0 C--N 1.293 -1.875 0 O-C-N 120.847 -1.158 . . . . 0.0 110.104 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -54.38 -21.22 9.0 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 9' ' ' THR . 17.9 m-80 -68.4 -64.12 0.93 Allowed 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 117.723 -1.591 . . . . 0.0 107.811 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.624 HD13 ' HB1' ' A' ' 91' ' ' ALA . 4.1 mm? -52.34 -31.27 32.6 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.341 -0.85 . . . . 0.0 108.971 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -58.5 -48.98 79.03 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.504 -0.747 . . . . 0.0 109.616 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.608 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.3 t -69.18 -57.69 7.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 120.815 -1.178 . . . . 0.0 111.002 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -49.93 -45.13 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 O-C-N 120.045 -1.66 . . . . 0.0 108.172 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 5.1 mm-40 -58.84 -27.16 64.85 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 177.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 16' ' ' VAL . 11.6 mtpp -127.28 36.22 4.44 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.709 -0.619 . . . . 0.0 109.614 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.608 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -62.81 -27.67 69.47 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.105 -0.997 . . . . 0.0 110.605 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER 71.59 -33.8 0.28 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.382 -0.824 . . . . 0.0 109.377 -178.77 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.687 HD22 ' NE2' ' A' ' 25' ' ' GLN . 2.6 m-80 -153.5 154.36 34.21 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.212 -0.93 . . . . 0.0 109.658 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.64 -21.95 7.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.199 -0.938 . . . . 0.0 109.823 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -49.13 71.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.133 -0.98 . . . . 0.0 109.957 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.687 ' NE2' HD22 ' A' ' 22' ' ' ASN . 16.3 mp0 -72.69 -14.7 61.63 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.505 -1.372 . . . . 0.0 110.351 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.494 HG23 ' CB ' ' A' ' 20' ' ' ALA . 8.3 t -69.49 -57.08 9.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 120.903 -1.123 . . . . 0.0 108.457 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.625 ' NZ ' HD22 ' A' ' 80' ' ' ASN . 0.0 OUTLIER -58.85 -29.73 67.16 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 0.0 109.603 -179.734 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -62.06 2.14 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.001 -1.062 . . . . 0.0 108.789 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.477 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -54.84 -40.77 69.94 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.632 -0.667 . . . . 0.0 110.681 -179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.484 HD23 ' SD ' ' A' ' 33' ' ' MET . 17.1 mt -61.78 -34.27 75.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.489 -1.382 . . . . 0.0 109.984 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.8 m -65.44 -33.21 75.4 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.795 -1.19 . . . . 0.0 108.662 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.411 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 5.2 mmtt -73.51 -35.42 65.59 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.652 ' O ' ' N ' ' A' ' 37' ' ' ALA . 1.5 mtp -57.32 -43.02 82.93 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.567 HH12 ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -48.39 -48.65 36.72 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.794 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -56.22 14.1 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.347 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.451 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -65.7 -19.94 66.09 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.384 -0.822 . . . . 0.0 110.067 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.652 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.61 -73.57 0.13 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.056 -1.028 . . . . 0.0 110.633 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 12.3 mt -61.53 -21.85 64.62 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.415 -178.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -59.98 -40.46 89.21 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.657 ' HB1' ' CG2' ' A' ' 44' ' ' THR . . . -60.79 -31.51 70.88 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -46.0 -32.67 2.9 Favored 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.456 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -112.58 17.83 18.87 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.483 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -168.66 87.83 0.2 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.549 -1.344 . . . . 0.0 108.895 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.657 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 1.2 p . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.356 -0.84 . . . . 0.0 110.286 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 30.3 t80 . . . . . 0 N--CA 1.483 1.198 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.601 ' O ' ' N ' ' A' ' 66' ' ' ASP . 14.4 ttt180 -56.4 -36.02 68.44 Favored 'General case' 0 C--O 1.204 -1.334 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 176.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -50.46 -45.14 55.94 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.51 -48.05 59.2 Favored Glycine 0 N--CA 1.498 2.797 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CZ ' HG21 ' A' ' 44' ' ' THR . 0.8 OUTLIER -67.26 -32.82 74.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.489 -1.006 . . . . 0.0 109.028 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 62' ' ' ARG . 37.0 t70 -55.63 -39.95 71.51 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 mt -66.24 -64.32 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.374 -0.829 . . . . 0.0 109.905 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 pp -54.19 -44.78 71.86 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.263 -0.898 . . . . 0.0 109.92 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.567 ' CG1' HH12 ' A' ' 34' ' ' ARG . 84.8 t -67.73 -19.38 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 120.65 -1.281 . . . . 0.0 110.457 178.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.23 -49.49 32.69 Favored Glycine 0 N--CA 1.494 2.561 0 C-N-CA 120.217 -0.992 . . . . 0.0 111.061 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -25.24 62.53 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.925 -1.338 . . . . 0.0 110.101 -179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.039 HD11 HD13 ' A' ' 94' ' ' LEU . 59.9 mt -61.84 -57.74 10.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 120.932 -1.105 . . . . 0.0 108.165 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.3 p30 -60.01 -37.53 79.97 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.401 -0.812 . . . . 0.0 109.037 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.522 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 61.4 t0 -59.76 -20.31 55.81 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 117.513 -1.675 . . . . 0.0 107.753 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 72' ' ' ILE . . . -71.83 -35.35 69.86 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 176.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.521 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.4 tt -58.59 -42.36 87.9 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -61.87 -48.1 82.02 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 122.4 1.095 . . . . 0.0 109.96 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.592 ' O ' ' N ' ' A' ' 81' ' ' GLU . 6.3 mp -62.64 -58.55 7.13 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.508 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.95 -34.1 1.58 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.083 -1.011 . . . . 0.0 110.043 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.625 HD22 ' NZ ' ' A' ' 27' ' ' LYS . 1.8 m120 -66.3 -28.36 68.63 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 78' ' ' LEU . 33.8 tt0 -85.71 3.29 41.81 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.41 39.65 6.28 Favored Glycine 0 N--CA 1.496 2.638 0 O-C-N 121.267 -0.896 . . . . 0.0 111.247 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -100.3 62.12 1.08 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.964 -1.315 . . . . 0.0 109.437 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.23 -41.36 86.61 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 O-C-N 121.5 -0.75 . . . . 0.0 110.499 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -50.23 20.0 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.025 -1.047 . . . . 0.0 110.279 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -40.76 97.46 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.72 -0.612 . . . . 0.0 110.277 -178.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.09 -47.9 82.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.003 -1.06 . . . . 0.0 109.87 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 23.4 mt-30 -64.0 -48.22 77.26 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.954 -1.091 . . . . 0.0 109.181 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.75 90.86 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.112 -0.993 . . . . 0.0 108.914 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.463 ' O ' ' CG ' ' A' ' 93' ' ' GLN . . . -60.55 -39.59 88.46 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.624 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -55.95 -43.0 77.04 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.989 -1.069 . . . . 0.0 108.155 178.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.09 -12.71 20.71 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.268 -0.895 . . . . 0.0 109.489 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.615 ' C ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -76.61 -32.06 57.82 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 178.409 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.039 HD13 HD11 ' A' ' 72' ' ' ILE . 35.9 tp -66.29 -46.91 75.36 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.081 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.428 ' HD2' HD12 ' A' ' 14' ' ' LEU . 13.1 mtpt -53.84 -66.29 0.42 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.162 -0.962 . . . . 0.0 109.769 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 m -65.0 -30.75 71.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.146 -0.971 . . . . 0.0 110.936 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.563 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.5 m -49.42 -57.41 7.01 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.658 -1.276 . . . . 0.0 108.901 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.53 -54.49 18.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.204 -0.935 . . . . 0.0 109.335 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -50.47 73.85 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.652 -1.28 . . . . 0.0 110.641 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.19 -29.16 70.18 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.0 -1.063 . . . . 0.0 109.646 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.5 m-30 -73.04 -3.65 27.53 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.1 t30 88.19 65.35 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 -176.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.529 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.2 OUTLIER 47.29 54.9 8.86 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 -176.387 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.6 tptt 59.0 -84.49 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.231 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.72 15.98 1.11 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.398 -1.439 . . . . 0.0 108.851 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.124 0 CA-C-O 118.045 -1.42 . . . . 0.0 109.647 -179.31 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 106.573 -1.639 . . . . 0.0 106.573 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.75 -24.37 52.99 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.693 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -58.45 -43.45 88.82 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 105.088 -2.189 . . . . 0.0 105.088 177.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.693 ' N ' HD22 ' A' ' 6' ' ' ASN . 2.9 m95 -58.48 -38.28 77.27 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -60.68 -46.01 91.98 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.476 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 m -55.08 -52.31 63.61 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.611 HD22 ' HB1' ' A' ' 36' ' ' ALA . 4.3 mm? -64.21 -34.46 78.14 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -55.34 -64.01 0.98 Allowed 'General case' 0 C--N 1.292 -1.93 0 O-C-N 120.678 -1.264 . . . . 0.0 109.609 -179.22 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.51 -21.88 11.37 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.894 -0.504 . . . . 0.0 109.832 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -67.77 -55.91 11.24 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 117.41 -1.716 . . . . 0.0 108.019 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.6 mm? -58.71 -31.25 68.09 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.977 0.894 . . . . 0.0 109.106 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -58.84 -53.96 52.46 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.816 -0.553 . . . . 0.0 110.916 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.582 ' O ' ' N ' ' A' ' 20' ' ' ALA . 4.8 t -66.87 -52.54 43.46 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 120.597 -1.314 . . . . 0.0 111.797 -178.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -45.81 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.343 0 O-C-N 119.945 -1.722 . . . . 0.0 107.887 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 5.3 mm-40 -60.97 -26.22 67.39 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -124.42 36.18 4.66 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.582 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -62.18 -33.44 74.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.679 -0.638 . . . . 0.0 111.041 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 1.7 m-20 72.11 -32.25 0.24 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.46 -0.775 . . . . 0.0 109.28 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.511 ' H ' ' C ' ' A' ' 20' ' ' ALA . 1.5 m-80 -152.74 149.04 27.95 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.213 -0.929 . . . . 0.0 109.555 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.7 -17.18 2.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.287 -0.883 . . . . 0.0 109.212 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.56 -56.64 7.63 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.065 -1.022 . . . . 0.0 109.905 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.488 ' CD ' HD22 ' A' ' 22' ' ' ASN . 1.8 mp0 -65.1 -10.85 33.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.929 -1.107 . . . . 0.0 110.413 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.455 HG23 ' CB ' ' A' ' 20' ' ' ALA . 13.8 t -71.31 -51.15 36.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 178.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -55.54 -38.45 69.31 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.793 0.806 . . . . 0.0 109.281 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.44 -61.51 2.44 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.53 71.42 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.827 -0.749 . . . . 0.0 110.659 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.52 -30.64 69.86 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.891 -1.131 . . . . 0.0 110.025 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 m -68.18 -34.22 75.9 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.461 -1.399 . . . . 0.0 108.357 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -71.45 -34.79 70.57 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.717 ' O ' ' N ' ' A' ' 37' ' ' ALA . 16.8 mtt -57.01 -47.74 80.12 Favored 'General case' 0 C--O 1.199 -1.571 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.404 ' NH2' ' O ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -44.61 -49.8 10.05 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.056 -1.027 . . . . 0.0 108.535 179.269 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.69 -57.88 5.04 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.426 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.611 ' HB1' HD22 ' A' ' 10' ' ' LEU . . . -62.27 -25.62 67.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.337 -0.852 . . . . 0.0 110.005 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.717 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -64.94 -69.45 0.29 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.195 -0.941 . . . . 0.0 110.322 -179.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.439 HD22 ' NE ' ' A' ' 62' ' ' ARG . 19.5 mt -63.38 -21.1 66.08 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.151 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.69 -39.88 95.4 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 106.025 -1.843 . . . . 0.0 106.025 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.93 -32.04 67.4 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -50.4 -37.93 40.23 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 177.707 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -100.02 9.24 43.2 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.385 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.79 75.68 0.22 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.748 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 6.6 t80 . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.581 ' O ' ' N ' ' A' ' 66' ' ' ASP . 23.2 ttt180 -54.77 -38.33 67.1 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 106.997 -1.482 . . . . 0.0 106.997 176.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -51.79 -36.34 47.28 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.24 -48.51 38.12 Favored Glycine 0 N--CA 1.502 3.035 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.608 ' O ' HG22 ' A' ' 69' ' ' VAL . 3.0 m-85 -68.06 -37.63 81.53 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 62' ' ' ARG . 19.5 t70 -46.12 -40.52 11.1 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.4 mt -65.94 -65.19 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.591 -0.693 . . . . 0.0 109.827 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 69' ' ' VAL . 2.4 pp -56.24 -50.55 71.0 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.241 -0.912 . . . . 0.0 110.88 -178.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 65' ' ' PHE . 5.9 m -63.72 -17.25 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 120.331 -1.481 . . . . 0.0 110.308 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.46 -53.94 18.5 Favored Glycine 0 N--CA 1.497 2.75 0 O-C-N 121.244 -0.91 . . . . 0.0 110.925 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.68 -19.28 64.38 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.695 -1.473 . . . . 0.0 109.425 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 1.043 HD11 HD13 ' A' ' 94' ' ' LEU . 6.6 mt -60.96 -63.02 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.8 p30 -55.74 -34.61 65.32 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 64.2 t0 -58.31 -20.67 44.9 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 117.776 -1.569 . . . . 0.0 107.73 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.33 -36.04 68.74 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 73' ' ' ASP . 6.4 tt -58.36 -41.81 85.55 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 177.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -60.97 -47.26 87.26 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.636 1.207 . . . . 0.0 109.436 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.5 mp -64.56 -57.84 8.02 Favored 'General case' 0 C--N 1.287 -2.152 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.621 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.66 -35.47 2.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.212 -0.93 . . . . 0.0 110.082 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.6 m120 -65.26 -29.65 70.45 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.742 -1.223 . . . . 0.0 107.849 178.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 78' ' ' LEU . 29.1 tt0 -84.78 3.5 37.3 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.77 41.77 5.9 Favored Glycine 0 N--CA 1.498 2.812 0 O-C-N 121.199 -0.938 . . . . 0.0 111.346 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -99.02 64.56 1.41 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.954 -1.321 . . . . 0.0 109.182 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.9 t -60.93 -47.36 93.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.772 -0.58 . . . . 0.0 110.693 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.456 ' H ' ' HG2' ' A' ' 85' ' ' LYS . 11.4 ptmt -76.02 -50.98 13.32 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.024 -1.048 . . . . 0.0 110.27 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -42.64 99.3 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.282 -178.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.7 86.98 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.853 -1.155 . . . . 0.0 109.384 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.671 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 24.6 mt-30 -64.44 -40.96 96.74 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.096 -1.003 . . . . 0.0 109.104 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.46 84.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.944 -1.098 . . . . 0.0 108.316 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.74 -24.46 65.73 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -61.64 -51.0 70.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.533 -0.729 . . . . 0.0 109.151 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 88' ' ' GLN . 1.8 mp0 -59.93 -14.11 14.19 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.018 -1.051 . . . . 0.0 109.262 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.606 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -73.05 -40.71 64.86 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.207 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 1.043 HD13 HD11 ' A' ' 72' ' ' ILE . 20.5 tp -67.67 -39.78 84.47 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.864 -1.148 . . . . 0.0 109.898 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -54.46 -73.45 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.155 -0.966 . . . . 0.0 110.768 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.0 m -65.9 -17.77 64.88 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.682 -1.261 . . . . 0.0 110.755 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.606 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.3 m -50.43 -60.57 2.87 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.568 -1.332 . . . . 0.0 107.61 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.3 mp -55.14 -48.65 75.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.47 -0.769 . . . . 0.0 108.984 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 ttp85 -61.69 -49.64 75.69 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.521 -1.362 . . . . 0.0 110.712 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.45 -30.86 71.89 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.894 -1.129 . . . . 0.0 110.504 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.6 m-30 -70.41 -1.89 12.07 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.2 t30 89.82 61.77 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 104.553 -2.388 . . . . 0.0 104.553 -176.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.52 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.1 OUTLIER 46.27 55.47 7.29 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.549 -1.649 . . . . 0.0 106.549 -175.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 98' ' ' ILE . 36.9 tptt 59.46 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 114.148 -1.387 . . . . 0.0 109.352 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.26 18.76 1.73 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.575 -1.328 . . . . 0.0 108.161 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.141 0 CA-C-O 117.969 -1.462 . . . . 0.0 109.613 -179.217 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.543 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 6.4 pm0 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.212 0.53 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 5' ' ' ASP . 62.4 t0 -74.61 -35.84 62.96 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.906 -1.121 . . . . 0.0 109.825 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.634 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -51.84 -41.66 61.98 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 178.482 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.634 ' N ' HD22 ' A' ' 6' ' ' ASN . 2.8 m95 -58.79 -39.88 82.36 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 177.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.45 -45.96 90.13 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 m -56.29 -52.46 64.43 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.26 -25.71 67.78 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.553 0.692 . . . . 0.0 109.355 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 7' ' ' TRP . 1.4 t-20 -64.14 -66.12 0.59 Allowed 'General case' 0 C--N 1.292 -1.928 0 O-C-N 120.847 -1.158 . . . . 0.0 109.988 -179.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -53.45 -20.56 4.86 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.553 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -64.03 -59.52 4.37 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 118.069 -1.452 . . . . 0.0 108.281 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.668 HD21 HD23 ' A' ' 94' ' ' LEU . 3.1 mm? -58.57 -34.62 71.26 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.475 -0.765 . . . . 0.0 109.279 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -56.04 -46.73 78.77 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.691 -0.63 . . . . 0.0 110.322 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.633 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.8 t -68.84 -58.36 6.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 120.768 -1.208 . . . . 0.0 111.048 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -48.3 -46.48 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 120.256 -1.527 . . . . 0.0 108.211 -179.184 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' OE2' ' NZ ' ' A' ' 95' ' ' LYS . 1.5 mm-40 -58.93 -30.34 67.78 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 16' ' ' VAL . 15.6 mtpp -127.18 38.9 4.0 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.53 -0.731 . . . . 0.0 110.081 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.633 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.95 -22.04 66.93 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.256 -0.903 . . . . 0.0 110.371 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.19 -34.38 0.27 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.43 -0.794 . . . . 0.0 109.19 -178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.833 HD22 HE22 ' A' ' 25' ' ' GLN . 6.9 m-80 -152.86 149.79 28.65 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.35 -0.844 . . . . 0.0 109.44 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.3 -15.72 0.42 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.913 . . . . 0.0 109.688 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -54.85 16.42 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.9 -1.125 . . . . 0.0 110.478 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.833 HE22 HD22 ' A' ' 22' ' ' ASN . 2.2 mt-30 -65.03 -15.73 62.65 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.844 -1.16 . . . . 0.0 110.114 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.547 HG23 ' CB ' ' A' ' 20' ' ' ALA . 11.1 t -69.93 -49.92 52.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -54.58 -38.41 66.68 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.831 0.824 . . . . 0.0 109.505 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -64.4 0.9 Allowed 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.803 -0.561 . . . . 0.0 110.17 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.436 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -49.83 -49.08 50.3 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.478 -0.764 . . . . 0.0 110.906 -178.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.554 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 47.0 mt -57.89 -37.9 74.82 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.789 -1.194 . . . . 0.0 109.478 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.0 m -62.26 -33.31 74.37 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.285 -1.51 . . . . 0.0 109.029 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -73.28 -37.36 66.29 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.623 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -57.34 -42.24 81.6 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.293 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.638 HH22 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -49.71 -51.02 41.66 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 177.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.46 -54.52 13.89 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.99 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.22 -26.1 68.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.111 -0.993 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.623 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -64.85 -66.8 0.5 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 110.896 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.26 -19.96 56.99 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.047 -1.061 . . . . 0.0 109.358 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -62.52 -40.18 95.94 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.04 -29.42 69.72 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.29 -44.37 33.71 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -100.98 15.25 29.29 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 121.255 0.55 . . . . 0.0 109.719 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.82 63.12 0.11 Allowed 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.298 -1.646 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.7 t80 . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' ASP . 19.8 ttp180 -54.67 -45.74 73.95 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -28.76 7.81 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.07 -50.11 19.09 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 108.107 -1.997 . . . . 0.0 108.107 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -71.87 -35.93 69.95 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' ARG . 16.3 t0 -53.99 -39.8 66.37 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -178.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mm -66.73 -63.09 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.508 -0.745 . . . . 0.0 110.536 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.5 pp -52.99 -44.03 66.9 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.04 -1.038 . . . . 0.0 109.248 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -14.99 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 120.675 -1.266 . . . . 0.0 109.079 178.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.03 -60.94 4.89 Favored Glycine 0 N--CA 1.485 1.918 0 C-N-CA 119.818 -1.182 . . . . 0.0 111.59 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.595 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -70.06 -22.36 63.08 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.601 -1.529 . . . . 0.0 109.724 -178.599 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.726 HD11 HD13 ' A' ' 94' ' ' LEU . 40.6 mt -63.53 -59.78 3.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.984 -1.073 . . . . 0.0 108.294 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -57.23 -34.82 68.96 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -61.58 -20.74 63.65 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.206 -1.559 . . . . 0.0 107.808 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.1 -33.78 68.13 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 176.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.555 ' O ' HD23 ' A' ' 76' ' ' LEU . 4.4 tt -58.3 -39.17 78.63 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 177.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -63.12 -46.26 88.11 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 122.347 1.07 . . . . 0.0 109.476 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.6 mp -64.4 -54.85 26.31 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.436 ' HA ' ' H ' ' A' ' 83' ' ' LYS . . . -45.86 -32.61 2.71 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.063 -1.023 . . . . 0.0 109.799 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.417 HD21 HD23 ' A' ' 76' ' ' LEU . 2.4 m120 -63.19 -31.63 72.82 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 78' ' ' LEU . 2.5 tp10 -84.84 3.83 36.0 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.7 47.58 5.3 Favored Glycine 0 N--CA 1.496 2.658 0 O-C-N 121.178 -0.951 . . . . 0.0 111.029 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.436 ' H ' ' HA ' ' A' ' 79' ' ' ALA . 14.6 mmtp -102.0 68.78 1.14 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.119 -1.224 . . . . 0.0 110.013 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.0 t -63.83 -40.15 88.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 O-C-N 121.698 -0.626 . . . . 0.0 110.114 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -55.29 6.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.11 -0.994 . . . . 0.0 110.385 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.56 -40.98 96.66 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.611 -0.68 . . . . 0.0 110.065 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.32 -50.5 67.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.059 -1.026 . . . . 0.0 110.328 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.656 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 25.8 mt-30 -62.33 -39.77 94.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.904 -1.123 . . . . 0.0 108.893 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.98 92.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.844 -1.16 . . . . 0.0 108.04 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.61 -20.72 61.43 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.88 -52.65 55.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.664 -0.648 . . . . 0.0 109.565 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.89 -13.24 14.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.283 -0.886 . . . . 0.0 108.857 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.588 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.95 -40.04 61.0 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 178.589 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.726 HD13 HD11 ' A' ' 72' ' ' ILE . 39.6 tp -68.3 -45.02 74.14 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.278 -0.889 . . . . 0.0 109.126 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.424 ' NZ ' ' OE2' ' A' ' 18' ' ' GLU . 17.5 mttt -54.24 -66.61 0.37 Allowed 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.985 -1.072 . . . . 0.0 110.087 -179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -65.64 -23.42 66.8 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.124 -0.985 . . . . 0.0 110.662 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.588 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.5 m -50.03 -58.27 5.85 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.652 -1.28 . . . . 0.0 108.02 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.4 mp -55.92 -55.52 17.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.585 -0.697 . . . . 0.0 109.284 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.614 ' HE ' ' C ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -58.65 -50.87 72.26 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.67 -1.269 . . . . 0.0 110.638 -179.097 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.89 -31.02 71.28 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.853 -1.154 . . . . 0.0 109.624 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.485 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.0 m-30 -72.52 -4.09 28.48 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.1 t30 88.97 63.8 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 104.56 -2.385 . . . . 0.0 104.56 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.47 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.5 OUTLIER 46.99 58.95 4.32 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 -175.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' ILE . 29.1 tptt 58.27 -80.75 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.22 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -144.37 5.34 1.25 Allowed 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.473 -1.392 . . . . 0.0 109.088 178.612 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 CA-C-O 117.937 -1.479 . . . . 0.0 109.591 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 120.791 0.329 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -75.96 -36.02 59.44 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.175 -1.578 . . . . 0.0 108.872 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.567 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -52.4 -39.75 61.29 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 178.489 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.567 ' N ' HD22 ' A' ' 6' ' ' ASN . 2.1 m95 -59.58 -38.27 80.74 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 5' ' ' ASP . 36.0 tt0 -57.9 -43.54 86.19 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.516 -0.74 . . . . 0.0 109.328 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.493 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.7 m -57.1 -54.5 46.05 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.467 HD12 ' HB1' ' A' ' 36' ' ' ALA . 6.2 mp -65.13 -27.56 68.82 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.6 OUTLIER -60.89 -65.19 0.73 Allowed 'General case' 0 C--N 1.292 -1.925 0 O-C-N 120.699 -1.251 . . . . 0.0 110.058 -179.106 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.88 -19.3 6.28 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.875 -0.516 . . . . 0.0 109.874 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 9' ' ' THR . 11.2 m-80 -67.54 -57.96 5.55 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 117.748 -1.581 . . . . 0.0 108.469 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.7 mm? -57.16 -31.11 65.06 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.036 -1.04 . . . . 0.0 108.837 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -59.8 -48.53 81.3 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.692 -0.63 . . . . 0.0 110.557 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.5 t -68.49 -56.47 12.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 120.692 -1.255 . . . . 0.0 111.133 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.472 HD11 ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -49.2 -45.41 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 O-C-N 120.302 -1.499 . . . . 0.0 107.938 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 11.4 mm-40 -59.76 -27.58 66.65 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 16' ' ' VAL . 9.1 mtpp -127.8 34.17 4.68 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.548 -0.72 . . . . 0.0 110.327 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.629 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.67 -21.07 66.64 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.011 -1.055 . . . . 0.0 110.535 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 19' ' ' LYS . 0.9 OUTLIER 69.11 -32.45 0.22 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.635 -0.666 . . . . 0.0 109.531 -178.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.545 HD22 HE22 ' A' ' 25' ' ' GLN . 4.4 m-80 -153.4 150.56 28.96 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.24 -0.913 . . . . 0.0 109.855 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.729 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -51.89 -13.84 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.93 . . . . 0.0 108.814 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' A' ' 22' ' ' ASN . . . -67.07 -61.12 2.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.231 -0.918 . . . . 0.0 110.113 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.545 HE22 HD22 ' A' ' 22' ' ' ASN . 1.0 OUTLIER -66.54 -10.5 45.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.889 -1.132 . . . . 0.0 110.292 -179.189 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.523 HG23 ' CB ' ' A' ' 20' ' ' ALA . 12.4 t -70.35 -58.87 4.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 120.859 -1.151 . . . . 0.0 108.165 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 14.4 ptmt -57.2 -31.01 65.02 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.569 -0.707 . . . . 0.0 109.84 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.24 -61.31 2.44 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.124 -0.985 . . . . 0.0 109.051 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.518 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -49.41 -43.84 44.77 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.303 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.536 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 14.8 mt -60.93 -37.27 81.72 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.837 -1.164 . . . . 0.0 110.172 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -62.86 -29.14 70.52 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.675 -1.266 . . . . 0.0 108.35 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -72.48 -39.29 67.82 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.696 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.2 mtm -57.67 -42.58 83.86 Favored 'General case' 0 C--O 1.199 -1.586 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.595 HH22 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -46.99 -47.27 22.0 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.899 -1.126 . . . . 0.0 108.081 178.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.1 -55.82 11.08 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.467 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -65.6 -19.05 65.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.433 -0.792 . . . . 0.0 109.884 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.696 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -65.41 -71.68 0.18 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.195 -0.941 . . . . 0.0 110.323 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.631 ' CD2' ' HE ' ' A' ' 62' ' ' ARG . 8.2 mt -64.16 -19.04 65.03 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.148 -1.021 . . . . 0.0 109.355 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -63.98 -40.89 97.41 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -59.0 -31.58 68.93 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.566 HE21 ' NZ ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -47.71 -40.17 19.56 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 177.618 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.659 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 36.2 mmtt -98.73 107.59 20.07 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . 80.58 73.42 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 122.132 0.967 . . . . 0.0 109.418 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.5 2.055 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.4 t80 . . . . . 0 N--CA 1.486 1.365 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.631 ' HE ' ' CD2' ' A' ' 38' ' ' LEU . 17.3 ttt180 -52.42 -36.11 53.55 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -51.32 -34.66 34.54 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.49 -48.66 42.74 Favored Glycine 0 N--CA 1.497 2.723 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 178.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -72.44 -43.32 63.96 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.393 -1.063 . . . . 0.0 108.27 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 62' ' ' ARG . 50.0 t0 -46.93 -44.01 19.5 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.3 mm -62.33 -66.34 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.363 -0.836 . . . . 0.0 109.245 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -37.02 70.39 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.165 -0.959 . . . . 0.0 109.504 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.415 HG22 ' HB1' ' A' ' 37' ' ' ALA . 54.7 t -68.19 -21.11 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 120.859 -1.151 . . . . 0.0 110.169 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.5 -48.91 21.49 Favored Glycine 0 N--CA 1.495 2.606 0 O-C-N 121.117 -0.989 . . . . 0.0 110.967 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -71.57 -26.43 62.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.868 -1.372 . . . . 0.0 110.642 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.595 HG21 HH22 ' A' ' 34' ' ' ARG . 25.7 mt -60.55 -60.08 3.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 1.9 p30 -56.48 -32.0 64.58 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 48.1 t0 -61.95 -22.79 65.92 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 117.754 -1.579 . . . . 0.0 108.012 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.88 -34.86 72.03 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 105.777 -1.934 . . . . 0.0 105.777 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 76' ' ' LEU . 5.1 tt -59.32 -42.34 91.18 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 106.773 -1.565 . . . . 0.0 106.773 177.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -62.47 -45.95 90.7 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 122.257 1.027 . . . . 0.0 110.001 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.7 mp -63.49 -52.88 59.38 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.88 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.8 -42.47 17.13 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.031 -1.043 . . . . 0.0 109.42 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' A' ' 80' ' ' ASN . 0.7 OUTLIER -61.76 -25.71 67.63 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 78' ' ' LEU . 66.2 tt0 -87.04 5.88 35.28 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.52 38.88 7.43 Favored Glycine 0 N--CA 1.497 2.723 0 O-C-N 121.378 -0.826 . . . . 0.0 111.392 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -100.28 68.96 1.45 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.936 -1.332 . . . . 0.0 109.808 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.729 HG22 ' HB2' ' A' ' 23' ' ' ALA . 64.7 t -63.53 -52.75 53.91 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 121.717 -0.614 . . . . 0.0 110.135 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.51 -49.69 21.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.22 -0.925 . . . . 0.0 110.405 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -57.08 -43.76 82.47 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.666 -0.646 . . . . 0.0 109.636 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.85 97.87 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.038 -1.039 . . . . 0.0 109.142 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.577 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 28.2 mt-30 -64.76 -39.24 93.28 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.236 -0.915 . . . . 0.0 108.629 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.26 96.04 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.17 -22.2 65.7 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.29 -53.33 50.57 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.231 -0.918 . . . . 0.0 109.02 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' A' ' 88' ' ' GLN . 2.2 mp0 -58.64 -15.74 13.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.889 -1.132 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.597 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.06 -37.86 64.12 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.456 HD23 HD21 ' A' ' 14' ' ' LEU . 20.9 tp -67.94 -41.2 82.89 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.885 0.85 . . . . 0.0 109.986 178.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -56.4 -65.67 0.57 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.711 -1.243 . . . . 0.0 109.296 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -65.6 -21.96 66.63 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.282 -0.886 . . . . 0.0 110.273 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.597 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 3.2 m -49.31 -57.93 5.96 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.577 -1.327 . . . . 0.0 108.328 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.42 ' H ' HD12 ' A' ' 98' ' ' ILE . 2.8 mp -58.76 -53.85 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.68 -0.637 . . . . 0.0 110.075 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -60.87 -50.14 74.62 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.688 -1.258 . . . . 0.0 110.777 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.0 -31.25 71.6 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.906 -1.121 . . . . 0.0 109.715 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.0 m-30 -72.09 -4.9 31.61 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.8 t30 88.7 66.11 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 -176.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.563 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.0 OUTLIER 46.88 54.79 8.67 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 -176.516 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.2 tptp 60.06 -81.76 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 114.196 -1.365 . . . . 0.0 110.104 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.17 7.12 1.98 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.476 -1.39 . . . . 0.0 108.937 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 N--CA 1.487 1.385 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 8' ' ' GLU . 1.5 p30 -76.13 -47.88 22.73 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.183 -0.948 . . . . 0.0 110.435 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.516 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -48.4 -38.74 20.35 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 179.211 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.516 ' N ' HD22 ' A' ' 6' ' ' ASN . 2.0 m95 -59.82 -40.97 90.21 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 5' ' ' ASP . 30.9 tt0 -57.66 -44.05 85.4 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.487 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.3 m -55.92 -54.33 46.07 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.43 HD12 ' HB1' ' A' ' 36' ' ' ALA . 4.7 mp -65.09 -30.89 71.88 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -60.28 -64.71 0.86 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 120.927 -1.108 . . . . 0.0 109.814 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.41 -22.52 7.79 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.552 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 9' ' ' THR . 17.6 m-80 -70.56 -65.02 0.79 Allowed 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 118.485 -1.286 . . . . 0.0 108.735 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.1 mm? -53.54 -31.97 48.64 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.069 -1.019 . . . . 0.0 108.466 178.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -59.16 -50.95 72.08 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.419 0.628 . . . . 0.0 110.063 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.669 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.5 t -64.93 -52.62 51.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.059 -1.026 . . . . 0.0 110.455 -178.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -51.42 -49.78 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 119.987 -1.695 . . . . 0.0 107.485 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.51 -30.67 54.26 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -129.16 39.17 3.81 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.429 -0.795 . . . . 0.0 110.223 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.669 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -66.16 -24.76 66.71 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.053 -1.029 . . . . 0.0 110.962 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 70.08 -34.21 0.28 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.477 -0.764 . . . . 0.0 109.391 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.844 HD22 HE22 ' A' ' 25' ' ' GLN . 7.1 m-80 -152.99 152.18 31.11 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.246 -0.909 . . . . 0.0 109.68 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.69 -17.81 1.5 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 109.681 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.74 -54.67 20.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.962 -1.086 . . . . 0.0 110.39 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.844 HE22 HD22 ' A' ' 22' ' ' ASN . 2.2 mt-30 -65.45 -16.48 63.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.848 -1.158 . . . . 0.0 109.995 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.554 HG23 ' CB ' ' A' ' 20' ' ' ALA . 5.5 t -70.04 -53.36 24.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 107.489 -1.301 . . . . 0.0 107.489 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HG2' ' ND2' ' A' ' 80' ' ' ASN . 36.9 mtpt -56.34 -36.45 68.77 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.716 0.769 . . . . 0.0 109.867 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 -62.82 1.49 Allowed 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.789 -0.57 . . . . 0.0 109.946 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.418 ' HB2' HG11 ' A' ' 16' ' ' VAL . . . -51.95 -45.73 64.49 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.631 -0.668 . . . . 0.0 111.161 -178.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.79 -34.33 72.89 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.934 -1.104 . . . . 0.0 110.175 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m -65.25 -32.74 74.56 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.703 -1.248 . . . . 0.0 108.473 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 5.3 mmtt -73.12 -38.07 66.46 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.65 ' O ' ' N ' ' A' ' 37' ' ' ALA . 12.3 mtp -57.22 -40.61 77.86 Favored 'General case' 0 C--O 1.202 -1.422 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.651 ' N ' ' NH1' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -49.18 -49.87 40.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.804 -1.185 . . . . 0.0 107.823 178.819 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.64 65.04 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.43 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -67.08 -19.52 65.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.557 -0.715 . . . . 0.0 109.908 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.65 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.82 -75.24 0.1 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.162 -0.961 . . . . 0.0 110.557 -178.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -20.68 66.05 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 118.947 -1.101 . . . . 0.0 110.051 -178.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -61.92 -42.38 99.02 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.42 -30.11 68.24 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.406 ' O ' ' OE1' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -48.99 -38.2 22.55 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.272 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -84.72 -4.93 59.27 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.831 -0.543 . . . . 0.0 111.236 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.66 120.74 1.27 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.55 -1.344 . . . . 0.0 109.349 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.928 0 O-C-N 120.977 -1.077 . . . . 0.0 109.788 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 13.6 t80 . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.584 ' O ' ' N ' ' A' ' 66' ' ' ASP . 12.4 ttp180 -54.94 -30.76 59.43 Favored 'General case' 0 C--O 1.203 -1.382 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -56.69 -38.78 72.74 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.77 -46.42 60.92 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -72.54 -42.69 64.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.532 -0.981 . . . . 0.0 109.03 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 62' ' ' ARG . 23.0 t0 -48.08 -43.51 30.69 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.63 -68.57 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 O-C-N 121.497 -0.752 . . . . 0.0 110.123 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.56 -36.74 62.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -0.935 . . . . 0.0 109.995 -178.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.1 t -67.61 -24.84 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.615 -1.303 . . . . 0.0 110.129 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.28 -44.96 63.1 Favored Glycine 0 N--CA 1.493 2.44 0 C-N-CA 120.276 -0.964 . . . . 0.0 110.708 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -23.55 61.36 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.822 -1.399 . . . . 0.0 110.206 -179.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.545 HG21 HH22 ' A' ' 34' ' ' ARG . 18.6 mt -60.57 -61.25 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -59.17 -30.76 68.43 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.805 -0.559 . . . . 0.0 109.912 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.97 -24.71 68.02 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 117.637 -1.625 . . . . 0.0 108.811 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.83 -33.86 71.11 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 176.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.408 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 4.7 tt -58.21 -39.96 80.36 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 177.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -64.29 -49.64 71.03 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 122.215 1.007 . . . . 0.0 110.079 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.3 mp -62.98 -56.36 17.76 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.705 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.455 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -44.01 -35.81 2.23 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.196 -0.94 . . . . 0.0 110.103 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.41 ' ND2' ' HG2' ' A' ' 27' ' ' LYS . 1.7 m120 -66.21 -29.23 69.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.881 -1.137 . . . . 0.0 107.998 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 78' ' ' LEU . 27.9 tt0 -84.91 7.57 20.57 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.0 39.13 7.59 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 121.324 -0.86 . . . . 0.0 111.838 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -101.42 59.52 0.88 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.841 -1.387 . . . . 0.0 109.837 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.1 t -58.77 -46.35 90.81 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 O-C-N 121.283 -0.886 . . . . 0.0 109.969 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -73.85 -56.13 5.35 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.195 -0.941 . . . . 0.0 110.193 -179.684 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.83 -40.91 76.91 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 121.75 -0.594 . . . . 0.0 109.547 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.1 97.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.035 -1.04 . . . . 0.0 108.83 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.608 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 22.9 mt-30 -64.73 -40.95 96.19 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.11 -0.994 . . . . 0.0 108.83 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.6 -40.19 82.56 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.14 -25.52 67.79 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -63.7 -44.44 93.64 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.06 -16.37 63.38 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.436 -0.79 . . . . 0.0 109.058 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.555 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.72 -44.66 48.76 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.157 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.462 ' N ' ' HG3' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -70.77 -36.5 73.11 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 109.888 -179.617 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -57.59 -60.69 3.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.601 -1.312 . . . . 0.0 107.97 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 m -66.87 -24.74 66.16 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.433 -0.792 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.555 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 19.9 m -48.55 -56.02 9.49 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.833 -1.167 . . . . 0.0 108.38 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.3 mp -57.93 -56.54 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -50.7 73.01 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.601 -1.312 . . . . 0.0 110.906 -179.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.88 -31.58 71.04 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.936 -1.103 . . . . 0.0 109.595 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.504 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.0 m-30 -72.04 -3.74 24.7 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.5 t30 88.46 65.32 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 -176.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.48 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.4 OUTLIER 46.82 58.28 4.86 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -176.096 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 35.9 tptt 58.19 -77.81 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 114.55 -1.205 . . . . 0.0 109.416 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -143.84 9.32 1.52 Allowed 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.221 -1.549 . . . . 0.0 108.891 178.104 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 179.796 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 12.3 p-10 -75.85 -30.25 58.87 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.03 -1.044 . . . . 0.0 110.283 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.488 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -56.68 -43.0 80.02 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 178.584 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.413 ' N ' HD22 ' A' ' 6' ' ' ASN . 2.8 m95 -56.82 -40.26 75.69 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -57.99 -43.72 86.75 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.528 -0.732 . . . . 0.0 109.246 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -55.4 -53.68 53.15 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.944 -1.098 . . . . 0.0 108.171 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.478 HD12 ' HB1' ' A' ' 36' ' ' ALA . 5.7 mp -64.98 -26.88 68.48 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.556 0.693 . . . . 0.0 109.37 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.24 -63.42 1.31 Allowed 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.487 -1.383 . . . . 0.0 110.1 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.23 -23.29 14.13 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -65.65 -57.59 7.74 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 117.539 -1.664 . . . . 0.0 107.934 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.521 HD21 HD23 ' A' ' 94' ' ' LEU . 4.2 mm? -56.01 -34.32 65.7 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.835 0.826 . . . . 0.0 108.841 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -57.13 -52.57 64.79 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.647 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.9 t -67.7 -50.27 62.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 120.655 -1.278 . . . . 0.0 111.523 -178.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -51.06 -51.33 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 119.744 -1.848 . . . . 0.0 108.135 -179.33 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.401 ' HA ' HE21 ' A' ' 88' ' ' GLN . 2.7 mm-40 -56.12 -26.89 51.82 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -127.61 33.32 4.84 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.483 -0.761 . . . . 0.0 109.967 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.647 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -65.21 -27.16 68.48 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.168 -0.958 . . . . 0.0 110.809 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 70.94 -34.51 0.3 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.528 -0.732 . . . . 0.0 109.204 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.75 HD22 HE22 ' A' ' 25' ' ' GLN . 4.0 m-80 -152.48 150.77 29.97 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.421 -0.8 . . . . 0.0 109.169 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.02 -12.34 0.22 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.274 -0.891 . . . . 0.0 109.406 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 22' ' ' ASN . . . -67.97 -56.9 7.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.119 -0.988 . . . . 0.0 109.976 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.75 HE22 HD22 ' A' ' 22' ' ' ASN . 2.3 mt-30 -66.24 -12.57 57.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.056 -1.027 . . . . 0.0 110.176 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.521 HG23 ' CB ' ' A' ' 20' ' ' ALA . 6.5 t -72.07 -51.79 28.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HG2' ' ND2' ' A' ' 80' ' ' ASN . 32.4 mtpt -52.77 -35.44 56.49 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.238 1.018 . . . . 0.0 108.716 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.86 -61.0 2.91 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.466 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.97 -55.92 25.44 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.397 -0.815 . . . . 0.0 111.659 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.73 -31.97 59.03 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.002 -1.061 . . . . 0.0 110.18 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 m -65.9 -32.59 74.17 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.821 -1.174 . . . . 0.0 109.167 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -73.13 -35.67 66.56 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.654 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.4 mtt -58.36 -39.83 80.6 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.418 HH22 HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -51.9 -47.67 64.49 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.622 -1.299 . . . . 0.0 107.854 178.671 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -54.29 15.22 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.037 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.478 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -64.9 -18.12 64.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.464 -0.772 . . . . 0.0 109.521 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -67.82 -72.66 0.16 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.274 -0.891 . . . . 0.0 110.721 -178.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.19 -25.0 67.52 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 118.69 -1.204 . . . . 0.0 110.036 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.71 -37.9 88.33 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.09 -30.99 69.61 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -50.45 -40.38 50.45 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 178.126 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -91.47 8.69 35.2 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.596 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.52 92.28 0.62 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.04 -1.038 . . . . 0.0 108.555 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.917 0 O-C-N 121.259 -0.901 . . . . 0.0 108.637 -178.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 64' ' ' GLY . 18.8 t80 . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.635 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -51.83 -34.41 40.31 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 175.683 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -53.45 -34.54 58.28 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -68.98 -50.82 32.17 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 108.786 -1.726 . . . . 0.0 108.786 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -72.42 -46.85 53.23 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.511 -0.993 . . . . 0.0 108.879 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.635 ' N ' ' O ' ' A' ' 62' ' ' ARG . 32.8 t70 -46.5 -44.84 18.02 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.625 -0.672 . . . . 0.0 109.194 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.67 -65.96 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.367 -0.833 . . . . 0.0 109.456 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -56.4 -40.52 74.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.115 -0.991 . . . . 0.0 109.157 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.418 HG13 HH22 ' A' ' 34' ' ' ARG . 70.2 t -68.01 -21.36 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.966 -1.084 . . . . 0.0 110.0 178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.16 -50.58 12.12 Favored Glycine 0 N--CA 1.5 2.919 0 O-C-N 121.056 -1.027 . . . . 0.0 112.183 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.513 ' NE2' ' C ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -71.63 -28.84 64.06 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.577 -1.543 . . . . 0.0 110.006 -178.525 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -58.74 -55.34 23.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.18 -0.95 . . . . 0.0 109.064 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.4 p30 -60.54 -37.5 81.43 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 26.2 t70 -60.05 -19.86 55.03 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 117.891 -1.524 . . . . 0.0 108.042 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.81 69.52 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.5 ' O ' HD23 ' A' ' 76' ' ' LEU . 4.2 tt -58.88 -41.53 87.32 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 177.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -61.9 -46.07 90.97 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 122.081 0.943 . . . . 0.0 109.435 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.5 mp -63.19 -52.04 63.94 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 121.711 -0.618 . . . . 0.0 109.575 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.404 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -47.69 -37.86 13.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.134 -0.979 . . . . 0.0 109.41 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.419 ' ND2' ' HG2' ' A' ' 27' ' ' LYS . 2.3 m120 -64.36 -26.22 68.38 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 78' ' ' LEU . 21.0 tp10 -85.44 6.06 28.41 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.99 37.23 9.38 Favored Glycine 0 N--CA 1.496 2.698 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.08 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -97.24 64.15 1.89 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.942 -1.328 . . . . 0.0 109.25 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.39 -53.29 50.86 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.016 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.581 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.79 -50.57 23.46 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.086 -1.009 . . . . 0.0 109.872 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.59 -45.84 81.17 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.71 98.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.058 -1.027 . . . . 0.0 108.739 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.564 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 26.6 mt-30 -63.88 -40.38 96.4 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.94 93.5 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.48 -23.56 66.98 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -63.07 -51.55 66.22 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.967 -1.083 . . . . 0.0 108.395 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -61.16 -13.13 15.57 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.179 -0.95 . . . . 0.0 110.564 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.631 ' C ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -78.42 -33.2 48.76 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 120.418 -1.426 . . . . 0.0 107.908 179.259 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.521 HD23 HD21 ' A' ' 14' ' ' LEU . 52.6 tp -67.66 -41.53 83.61 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.278 -0.889 . . . . 0.0 108.927 177.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -56.81 -68.65 0.2 Allowed 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.032 0.92 . . . . 0.0 109.658 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.6 m -63.49 -23.25 67.32 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.157 -0.965 . . . . 0.0 110.579 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.592 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.4 m -51.41 -65.27 0.58 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.449 -1.407 . . . . 0.0 108.449 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.9 mp -49.32 -50.09 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.099 -1.0 . . . . 0.0 109.675 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -61.47 -50.58 72.18 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.573 -1.329 . . . . 0.0 110.805 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.62 -30.46 71.37 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.78 -1.2 . . . . 0.0 110.186 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.8 m-30 -71.57 -7.13 45.77 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.2 t30 92.38 65.98 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 104.924 -2.25 . . . . 0.0 104.924 -176.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.513 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.2 OUTLIER 45.75 53.02 9.14 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -176.431 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.9 tptt 62.19 -86.61 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 113.867 -1.515 . . . . 0.0 109.566 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.55 15.59 1.44 Allowed 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.415 -1.428 . . . . 0.0 108.942 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.395 0 CA-C-O 118.049 -1.417 . . . . 0.0 109.687 -179.409 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 120.941 0.4 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 8' ' ' GLU . 33.5 p-10 -76.21 -51.58 11.79 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.89 -1.131 . . . . 0.0 110.97 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.624 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -48.55 -39.19 22.63 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 179.495 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.624 ' N ' HD22 ' A' ' 6' ' ' ASN . 3.5 m95 -59.29 -37.34 77.45 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 5' ' ' ASP . 49.4 tt0 -60.15 -49.26 78.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.432 -0.793 . . . . 0.0 108.984 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.6 m -53.51 -49.7 66.98 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.76 -30.52 71.61 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' TRP . 3.4 t-20 -61.97 -66.8 0.48 Allowed 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.537 -1.352 . . . . 0.0 110.025 -178.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -51.28 -20.79 1.8 Allowed 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -68.96 -62.3 1.44 Allowed 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 118.092 -1.443 . . . . 0.0 108.38 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.6 mm? -55.84 -33.16 64.25 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.055 -1.028 . . . . 0.0 108.734 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -55.89 -51.58 67.09 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.733 -0.604 . . . . 0.0 110.664 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.638 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.6 t -65.36 -54.83 24.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.779 -1.201 . . . . 0.0 110.915 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.42 HD11 ' CE ' ' A' ' 33' ' ' MET . 0.2 OUTLIER -48.97 -49.82 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 120.195 -1.566 . . . . 0.0 108.571 -178.826 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.87 -23.86 54.97 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 16' ' ' VAL . 9.5 mtpp -129.53 33.47 4.48 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.466 -0.771 . . . . 0.0 110.391 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.69 -26.38 68.35 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.141 -0.974 . . . . 0.0 110.706 -178.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 69.29 -33.26 0.24 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.502 -0.749 . . . . 0.0 109.443 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.783 HD22 HE22 ' A' ' 25' ' ' GLN . 4.9 m-80 -152.38 151.96 31.47 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.366 -0.834 . . . . 0.0 109.48 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.87 -18.79 1.43 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.283 -0.886 . . . . 0.0 109.699 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.28 -54.78 24.01 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.977 -1.077 . . . . 0.0 110.733 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.783 HE22 HD22 ' A' ' 22' ' ' ASN . 1.6 mt-30 -65.11 -16.55 63.61 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.763 -1.211 . . . . 0.0 110.067 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.567 HG23 ' CB ' ' A' ' 20' ' ' ALA . 7.8 t -70.83 -49.91 47.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 120.823 -1.173 . . . . 0.0 107.892 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -56.37 -35.3 67.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.346 -0.846 . . . . 0.0 109.53 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.66 -62.42 1.67 Allowed 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.786 -0.571 . . . . 0.0 110.194 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.469 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -52.16 -47.9 65.2 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.511 -0.743 . . . . 0.0 111.335 -178.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.7 mt -59.27 -31.03 68.72 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.759 -1.213 . . . . 0.0 110.034 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.9 m -68.27 -34.25 75.84 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.566 -1.334 . . . . 0.0 108.441 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 5.8 mmtt -69.83 -36.31 75.49 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.665 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.8 mtt -55.44 -49.84 71.38 Favored 'General case' 0 C--O 1.202 -1.446 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.557 HH21 HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -41.2 -48.04 3.42 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.901 0.858 . . . . 0.0 108.925 179.117 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.26 -53.75 33.12 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.772 -0.771 . . . . 0.0 108.974 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.48 -19.1 65.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.458 -0.776 . . . . 0.0 110.291 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.665 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -64.05 -69.13 0.3 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.134 -0.978 . . . . 0.0 110.591 -178.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 4.8 mt -65.01 -24.06 67.4 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 118.827 -1.149 . . . . 0.0 110.027 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -60.66 -39.83 89.84 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.47 -27.51 69.18 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.449 ' C ' ' NE2' ' A' ' 41' ' ' GLN . 0.6 OUTLIER -47.39 -37.45 11.37 Favored 'General case' 0 N--CA 1.503 2.215 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.749 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -90.62 -75.96 0.45 Allowed 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.756 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.82 102.35 10.76 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.16 -0.963 . . . . 0.0 109.559 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' A' ' 64' ' ' GLY . 8.8 t80 . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 66' ' ' ASP . 9.3 tmm_? -52.37 -30.65 29.89 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.794 -1.188 . . . . 0.0 107.794 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -57.15 -33.9 67.88 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -70.86 -52.48 14.57 Favored Glycine 0 N--CA 1.497 2.713 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.39 -37.61 83.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.181 -1.188 . . . . 0.0 108.144 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 62' ' ' ARG . 24.9 t70 -50.58 -43.57 56.54 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.32 -66.22 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.404 -0.81 . . . . 0.0 109.988 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 pp -54.31 -35.49 62.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.259 -0.901 . . . . 0.0 109.68 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.557 HG12 HH21 ' A' ' 34' ' ' ARG . 34.0 t -67.28 -21.82 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 120.496 -1.377 . . . . 0.0 109.47 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.74 -49.96 21.45 Favored Glycine 0 N--CA 1.495 2.626 0 O-C-N 121.222 -0.924 . . . . 0.0 111.123 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -19.41 64.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.636 -1.508 . . . . 0.0 109.63 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 73' ' ' ASP . 2.0 mt -61.04 -62.7 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.515 ' N ' HG22 ' A' ' 72' ' ' ILE . 2.8 p30 -61.22 -32.93 72.7 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.572 -0.705 . . . . 0.0 110.41 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -60.78 -23.85 65.32 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 117.494 -1.682 . . . . 0.0 108.802 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.15 -35.49 74.07 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.407 ' O ' HD23 ' A' ' 76' ' ' LEU . 4.5 tt -57.3 -40.37 77.69 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 177.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -62.88 -45.96 90.09 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 122.298 1.047 . . . . 0.0 109.754 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.593 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.9 mp -63.26 -58.35 7.44 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.604 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.82 -34.7 1.66 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.312 -0.868 . . . . 0.0 110.108 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.405 HD21 HD23 ' A' ' 76' ' ' LEU . 2.5 m120 -65.99 -27.62 68.27 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.776 -1.203 . . . . 0.0 107.918 178.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 78' ' ' LEU . 61.9 tt0 -86.02 3.74 40.96 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.48 39.69 6.24 Favored Glycine 0 N--CA 1.497 2.739 0 O-C-N 121.192 -0.942 . . . . 0.0 111.53 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -98.81 61.88 1.32 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.907 -1.349 . . . . 0.0 109.365 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.7 t -59.75 -48.74 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.597 -0.689 . . . . 0.0 110.377 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -50.73 18.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.079 -1.013 . . . . 0.0 110.098 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.3 -42.32 98.46 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.593 -0.692 . . . . 0.0 109.719 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.04 -46.0 92.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.03 -1.044 . . . . 0.0 109.239 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.68 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 24.2 mt-30 -63.36 -39.56 94.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.106 -0.996 . . . . 0.0 108.358 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.08 94.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.133 -0.979 . . . . 0.0 108.405 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.54 -23.73 66.15 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.22 -49.31 72.47 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.15 -13.09 32.91 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -0.852 . . . . 0.0 109.101 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.589 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.52 -41.35 60.78 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 178.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 93' ' ' GLN . 0.2 OUTLIER -70.68 -38.8 73.76 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.059 -179.647 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -53.73 -66.47 0.39 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.72 -1.238 . . . . 0.0 108.688 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 m -67.99 -17.64 64.49 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.304 -0.873 . . . . 0.0 110.731 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.589 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 14.8 m -50.11 -58.98 4.38 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.439 -1.413 . . . . 0.0 107.462 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 104' ' ' LYS . 2.1 mp -58.44 -50.06 80.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.85 -0.531 . . . . 0.0 109.753 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -50.92 71.93 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.305 -1.497 . . . . 0.0 111.029 -178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -62.47 -34.09 76.13 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.992 -1.067 . . . . 0.0 110.573 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.531 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.3 m-30 -69.22 0.91 4.2 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.4 t30 88.77 59.31 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 104.984 -2.228 . . . . 0.0 104.984 -177.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.544 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.1 OUTLIER 48.3 56.32 7.59 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 -175.736 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 98' ' ' ILE . 22.2 tptt 63.89 -72.06 0.06 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 113.469 -1.696 . . . . 0.0 109.924 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.461 ' O ' ' OXT' ' A' ' 106' ' ' GLY . 0.2 OUTLIER -145.31 -28.41 0.45 Allowed 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.006 -1.684 . . . . 0.0 110.085 178.72 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.461 ' OXT' ' O ' ' A' ' 105' ' ' TYR . . . . . . . . 0 N--CA 1.494 2.551 0 CA-C-O 117.709 -1.606 . . . . 0.0 110.747 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 121.225 0.536 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 8' ' ' GLU . 34.8 p-10 -77.32 -53.24 7.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.998 -1.064 . . . . 0.0 110.668 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.599 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -48.62 -36.8 16.58 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.599 ' N ' HD22 ' A' ' 6' ' ' ASN . 2.6 m95 -59.49 -39.9 85.26 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 5' ' ' ASP . 26.9 tt0 -58.81 -47.29 85.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.58 -0.7 . . . . 0.0 109.335 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 m -54.4 -55.5 28.01 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.798 -1.189 . . . . 0.0 108.115 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp -65.22 -25.0 67.5 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.729 -0.607 . . . . 0.0 109.508 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 7' ' ' TRP . 1.1 t-20 -60.57 -66.22 0.56 Allowed 'General case' 0 C--N 1.293 -1.859 0 O-C-N 120.628 -1.295 . . . . 0.0 110.436 -178.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.1 -19.87 5.66 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.866 -0.521 . . . . 0.0 109.731 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -65.72 -53.5 39.95 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 117.545 -1.662 . . . . 0.0 108.493 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.0 mm? -59.96 -32.85 71.21 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.939 -1.101 . . . . 0.0 108.851 178.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -57.75 -50.73 72.24 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.806 -0.559 . . . . 0.0 110.958 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.632 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.4 t -65.29 -53.47 40.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 O-C-N 120.419 -1.426 . . . . 0.0 110.477 -178.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -50.72 -47.59 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 120.132 -1.605 . . . . 0.0 107.858 -179.399 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.44 -31.99 64.49 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' VAL . 8.9 mtpp -127.28 42.07 3.39 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.632 -0.668 . . . . 0.0 109.609 -178.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.632 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.38 -30.23 71.27 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.267 -0.896 . . . . 0.0 110.589 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 71.28 -34.32 0.3 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.486 -0.759 . . . . 0.0 109.179 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.816 HD22 HE22 ' A' ' 25' ' ' GLN . 11.2 m-80 -153.26 150.08 28.59 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.277 -0.889 . . . . 0.0 109.694 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.6 -20.6 3.13 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.303 -0.873 . . . . 0.0 109.822 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.25 -51.92 52.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.099 -1.001 . . . . 0.0 110.37 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.816 HE22 HD22 ' A' ' 22' ' ' ASN . 1.9 mt-30 -65.98 -15.45 63.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.939 -1.101 . . . . 0.0 110.455 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.511 HG23 ' CB ' ' A' ' 20' ' ' ALA . 9.6 t -70.22 -53.53 22.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' CE ' ' ND2' ' A' ' 80' ' ' ASN . 4.0 mtpm? -52.14 -35.24 47.89 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.901 0.858 . . . . 0.0 109.097 179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.66 -62.13 2.1 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.454 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -54.58 -49.72 69.72 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.539 -0.725 . . . . 0.0 110.911 -178.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.19 -32.19 68.01 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.866 -1.146 . . . . 0.0 109.89 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 m -67.25 -34.14 76.81 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.952 -1.093 . . . . 0.0 108.938 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 6.2 mmtt -71.62 -37.97 70.83 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.703 ' O ' ' N ' ' A' ' 37' ' ' ALA . 5.1 mtt -55.66 -42.81 75.6 Favored 'General case' 0 C--O 1.199 -1.601 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 178.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.566 HH21 HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.63 -51.06 22.72 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.852 -1.155 . . . . 0.0 108.228 178.74 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.72 -53.73 17.1 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.549 0.69 . . . . 0.0 109.335 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.46 -21.31 66.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.422 -0.799 . . . . 0.0 109.819 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.703 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -65.06 -70.03 0.26 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.251 -0.905 . . . . 0.0 110.364 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' GLN . 6.4 mt -63.04 -25.02 68.19 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 118.961 -1.096 . . . . 0.0 108.923 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.77 -36.17 76.12 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 105.148 -2.167 . . . . 0.0 105.148 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 37' ' ' ALA . . . -63.12 -28.42 70.05 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 176.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -50.31 -24.5 2.99 Favored 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 177.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.3 mtpt -114.86 139.35 49.84 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . 63.3 97.5 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.966 -1.083 . . . . 0.0 109.981 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 40' ' ' ALA . 15.7 p . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.318 -0.864 . . . . 0.0 109.341 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 20.2 t80 . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 66' ' ' ASP . 3.2 tmt_? -51.75 -35.11 42.2 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 177.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -54.17 -40.75 67.79 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.116 -0.99 . . . . 0.0 108.466 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.58 -47.16 80.22 Favored Glycine 0 N--CA 1.497 2.728 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -68.75 -35.5 77.17 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 62' ' ' ARG . 22.8 t70 -51.28 -47.61 62.47 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -177.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mt -64.17 -63.05 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.189 -0.944 . . . . 0.0 109.893 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.511 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -53.34 -39.0 63.76 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.248 -0.907 . . . . 0.0 109.336 -178.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.703 ' HA ' HD12 ' A' ' 72' ' ' ILE . 34.1 t -68.23 -22.11 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.755 -1.215 . . . . 0.0 109.932 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.0 -52.64 13.2 Favored Glycine 0 N--CA 1.498 2.796 0 O-C-N 121.006 -1.058 . . . . 0.0 111.745 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.43 HE21 ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -66.67 -20.66 66.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.764 -1.433 . . . . 0.0 109.559 -178.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 69' ' ' VAL . 19.1 mt -60.16 -63.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 76' ' ' LEU . 2.2 p30 -59.88 -34.88 73.76 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.478 -0.764 . . . . 0.0 110.099 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 74' ' ' ASP . 31.5 t0 -60.17 -20.42 58.45 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 119.906 -1.746 . . . . 0.0 107.931 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.29 -34.86 68.48 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 176.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.485 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.0 tt -57.48 -39.25 75.99 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -63.2 -46.2 88.17 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.248 1.023 . . . . 0.0 109.711 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.7 mp -65.4 -55.43 18.14 Favored 'General case' 0 C--N 1.29 -1.993 0 O-C-N 121.779 -0.576 . . . . 0.0 109.981 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.467 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -45.27 -37.73 4.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.052 -1.03 . . . . 0.0 110.005 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.0 OUTLIER -64.86 -27.93 69.2 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 178.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 78' ' ' LEU . 28.7 tt0 -85.09 6.1 26.93 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.85 41.06 7.34 Favored Glycine 0 N--CA 1.497 2.742 0 O-C-N 121.134 -0.979 . . . . 0.0 111.136 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 20.0 mmtp -100.11 54.53 0.91 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.965 -1.315 . . . . 0.0 109.8 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 t -59.29 -39.87 79.94 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 O-C-N 121.522 -0.736 . . . . 0.0 109.334 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -52.29 10.14 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.165 -0.96 . . . . 0.0 109.895 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.15 -41.21 99.23 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -60.26 -46.03 91.24 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 0.0 109.296 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.687 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 24.8 mt-30 -64.2 -38.69 91.94 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.044 -1.035 . . . . 0.0 108.328 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.03 96.33 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.96 -22.88 64.88 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -63.59 -47.52 81.14 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -63.0 -13.69 38.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.413 -0.805 . . . . 0.0 109.301 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.547 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -77.81 -43.22 31.18 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 179.374 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.518 HD13 HD11 ' A' ' 72' ' ' ILE . 60.1 tp -68.81 -41.32 78.82 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.375 -0.828 . . . . 0.0 109.607 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -56.24 -72.39 0.08 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.407 -0.808 . . . . 0.0 110.608 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -20.52 66.19 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.082 -1.011 . . . . 0.0 110.675 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.547 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.1 m -49.88 -58.87 4.54 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.583 -1.323 . . . . 0.0 107.696 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.551 HG23 ' HB2' ' A' ' 104' ' ' LYS . 2.3 mp -56.5 -51.65 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 121.538 -0.726 . . . . 0.0 109.049 178.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -59.32 -51.12 71.28 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.627 -1.295 . . . . 0.0 110.699 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.24 -28.47 70.05 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.012 -1.055 . . . . 0.0 110.032 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.3 m-30 -71.59 -2.26 16.43 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.6 t30 89.56 61.03 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -177.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.553 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.2 OUTLIER 48.35 55.85 8.29 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 -176.051 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.551 ' HB2' HG23 ' A' ' 98' ' ' ILE . 26.2 tptt 61.44 -83.73 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 113.609 -1.632 . . . . 0.0 108.941 -178.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.88 10.14 0.91 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.264 -1.523 . . . . 0.0 109.14 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.024 0 CA-C-O 117.882 -1.51 . . . . 0.0 109.773 -179.144 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -77.21 -28.51 53.85 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -41.49 87.88 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 105.72 -1.955 . . . . 0.0 105.72 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.4 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.2 m95 -59.88 -37.19 78.64 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.805 -1.088 . . . . 0.0 109.064 178.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -56.93 -44.78 82.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.36 -0.838 . . . . 0.0 109.62 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.465 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.0 m -54.72 -52.91 61.0 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 178.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.43 -26.84 68.14 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.65 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.4 OUTLIER -61.01 -66.3 0.56 Allowed 'General case' 0 C--N 1.29 -1.995 0 O-C-N 120.37 -1.456 . . . . 0.0 110.133 -178.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.04 -19.92 5.59 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.795 -0.566 . . . . 0.0 110.02 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 9' ' ' THR . 8.0 m-80 -65.28 -58.13 6.72 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 117.96 -1.496 . . . . 0.0 108.987 -178.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.593 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.3 mm? -58.58 -32.46 68.97 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.021 -1.049 . . . . 0.0 108.584 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -59.03 -47.12 86.37 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.809 -0.557 . . . . 0.0 109.878 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.611 ' O ' ' N ' ' A' ' 20' ' ' ALA . 21.8 t -68.33 -56.21 13.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 120.792 -1.193 . . . . 0.0 111.077 -178.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.661 HD11 ' CE ' ' A' ' 33' ' ' MET . 0.1 OUTLIER -50.36 -46.25 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.391 0 O-C-N 119.859 -1.776 . . . . 0.0 107.766 -179.587 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 5.6 mm-40 -56.16 -28.04 56.54 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 16' ' ' VAL . 12.1 mtpt -127.76 34.92 4.56 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.661 -0.65 . . . . 0.0 110.235 -178.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.611 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.1 -18.93 64.88 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.063 -1.023 . . . . 0.0 110.373 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 67.16 -36.15 0.27 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.594 -0.691 . . . . 0.0 109.857 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.783 HD22 HE22 ' A' ' 25' ' ' GLN . 15.5 m-80 -149.78 149.39 30.46 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.17 -0.956 . . . . 0.0 109.634 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.45 -17.92 2.32 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.422 -0.799 . . . . 0.0 110.005 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.91 -52.52 42.28 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.824 -1.172 . . . . 0.0 109.951 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.783 HE22 HD22 ' A' ' 22' ' ' ASN . 1.4 mt-30 -65.69 -18.18 65.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.996 -1.065 . . . . 0.0 110.068 -179.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.478 HG23 ' CB ' ' A' ' 20' ' ' ALA . 20.6 t -67.36 -47.63 80.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -55.12 -45.62 75.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.36 -0.837 . . . . 0.0 109.535 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -60.42 -64.43 0.95 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.221 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' ASP . . . -40.12 -53.75 2.39 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.146 0.498 . . . . 0.0 111.189 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.12 -36.61 77.86 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.964 -1.085 . . . . 0.0 109.792 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.7 m -63.92 -29.19 70.38 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.763 -1.211 . . . . 0.0 108.039 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' ASP . 7.7 mmtt -71.72 -40.21 69.61 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 177.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.688 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.0 mtm -57.99 -47.99 81.36 Favored 'General case' 0 C--O 1.2 -1.532 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -39.22 -50.0 1.91 Allowed 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.839 0.828 . . . . 0.0 108.902 179.089 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -51.46 58.65 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.24 -20.25 65.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.22 -0.925 . . . . 0.0 109.343 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.688 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.71 -71.18 0.21 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.461 -0.775 . . . . 0.0 110.479 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.19 -18.31 63.35 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 118.944 -1.102 . . . . 0.0 109.217 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -63.16 -41.53 99.27 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.86 -29.27 69.43 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -48.59 -36.73 16.26 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 106.957 -1.498 . . . . 0.0 106.957 178.216 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -84.58 -76.98 0.29 Allowed 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.28 103.24 14.69 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.042 -1.036 . . . . 0.0 109.808 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.934 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.2 t80 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 66' ' ' ASP . 3.4 ttm180 -55.18 -34.95 64.31 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 176.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.415 ' C ' ' O ' ' A' ' 62' ' ' ARG . 73.3 t60 -49.77 -31.25 11.11 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.34 -54.39 11.01 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 108.773 -1.731 . . . . 0.0 108.773 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' ASP . 4.3 m-85 -70.07 -44.29 69.42 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.147 -1.208 . . . . 0.0 108.773 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 62' ' ' ARG . 10.5 t70 -42.17 -41.51 2.7 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.476 0.655 . . . . 0.0 109.277 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mm -67.36 -62.32 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 O-C-N 121.208 -0.932 . . . . 0.0 110.513 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.0 pp -57.33 -46.88 82.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.835 -1.166 . . . . 0.0 110.956 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.481 ' HA ' HD12 ' A' ' 72' ' ' ILE . 9.2 m -62.77 -18.58 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.126 -1.609 . . . . 0.0 109.76 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.43 -44.11 75.01 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.658 ' NE2' ' OE1' ' A' ' 93' ' ' GLN . 0.4 OUTLIER -71.69 -28.05 63.45 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.72 -1.459 . . . . 0.0 109.73 -179.855 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.739 HD11 HD13 ' A' ' 94' ' ' LEU . 78.0 mt -60.43 -54.75 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.51 -35.92 73.0 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.56 -23.58 64.74 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 117.552 -1.659 . . . . 0.0 108.839 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.67 -32.59 68.03 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 177.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.576 ' O ' HD23 ' A' ' 76' ' ' LEU . 4.4 tt -59.73 -37.9 80.19 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 177.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -64.7 -46.24 83.21 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 122.32 1.057 . . . . 0.0 110.02 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.636 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.4 mp -62.83 -61.02 2.69 Favored 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.787 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.419 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -42.96 -31.72 0.55 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.171 -0.956 . . . . 0.0 110.169 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.448 HD21 HD23 ' A' ' 76' ' ' LEU . 2.9 m120 -66.09 -29.34 69.65 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.636 ' N ' ' O ' ' A' ' 78' ' ' LEU . 27.1 tp10 -84.38 0.43 49.38 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.19 45.23 5.11 Favored Glycine 0 N--CA 1.498 2.786 0 O-C-N 120.947 -1.096 . . . . 0.0 111.614 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 17.9 mmtt -101.5 70.61 1.3 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.984 -1.303 . . . . 0.0 108.951 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.62 -55.39 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.423 -0.798 . . . . 0.0 111.234 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -48.92 41.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.822 -1.174 . . . . 0.0 109.999 -178.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.37 -44.03 95.99 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.469 -0.769 . . . . 0.0 109.938 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -63.6 -42.8 98.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.882 -1.136 . . . . 0.0 108.869 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.504 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 27.3 mt-30 -65.4 -41.41 93.69 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.42 83.5 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.14 -30.27 71.18 Favored 'General case' 0 C--O 1.205 -1.262 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -62.7 -38.94 92.42 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.83 -1.169 . . . . 0.0 108.355 178.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -69.81 -16.73 63.33 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.797 -1.19 . . . . 0.0 110.796 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.658 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -76.89 -30.3 56.13 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 179.157 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.739 HD13 HD11 ' A' ' 72' ' ' ILE . 28.4 tp -68.33 -42.82 78.75 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.956 0.884 . . . . 0.0 108.916 177.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -55.41 -68.89 0.16 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.388 -0.82 . . . . 0.0 109.578 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -16.99 64.72 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.274 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.594 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.4 m -52.08 -58.51 6.34 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.154 -1.591 . . . . 0.0 107.634 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.606 HG23 ' HB2' ' A' ' 104' ' ' LYS . 2.6 mp -58.21 -49.28 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.151 -0.968 . . . . 0.0 108.734 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -60.74 -49.14 78.7 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 120.668 -1.27 . . . . 0.0 110.778 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.468 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -64.94 -32.96 74.93 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.008 -1.058 . . . . 0.0 110.633 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.466 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.0 m-30 -68.1 -2.5 7.98 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.468 ' H ' ' C ' ' A' ' 100' ' ' ALA . 1.7 t30 89.16 68.25 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 104.476 -2.416 . . . . 0.0 104.476 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.557 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.0 OUTLIER 42.95 55.65 4.35 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -176.219 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.606 ' HB2' HG23 ' A' ' 98' ' ' ILE . 4.3 tptp 62.15 -88.5 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 114.058 -1.428 . . . . 0.0 109.554 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.1 17.4 1.92 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.453 -1.405 . . . . 0.0 109.502 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.478 -179.491 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.096 0.474 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 8' ' ' GLU . 26.1 t0 -77.41 -44.58 28.7 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.83 -1.169 . . . . 0.0 110.529 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -51.66 -38.35 54.51 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 179.169 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.463 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.7 m95 -60.27 -35.99 76.8 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 177.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 5' ' ' ASP . 31.9 tt0 -58.95 -49.92 76.01 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.431 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 6.1 m -53.44 -52.66 58.74 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.42 -26.6 68.58 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.441 0.639 . . . . 0.0 109.523 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.6 OUTLIER -64.42 -67.11 0.46 Allowed 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.693 -1.255 . . . . 0.0 109.947 -179.106 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -52.95 -17.69 1.56 Allowed 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.676 -179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 9' ' ' THR . 7.2 m-80 -66.87 -58.69 4.51 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 117.819 -1.552 . . . . 0.0 108.18 -179.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.574 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.7 mm? -57.41 -35.6 70.26 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.066 -1.021 . . . . 0.0 108.888 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -52.8 -51.34 61.15 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.7 -0.625 . . . . 0.0 110.896 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.622 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.3 t -66.38 -53.49 35.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 O-C-N 120.695 -1.253 . . . . 0.0 110.95 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.29 -51.59 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.154 -1.591 . . . . 0.0 108.665 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -57.09 -20.33 24.73 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.108 -1.037 . . . . 0.0 108.282 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 16' ' ' VAL . 19.4 mtpt -129.56 31.44 4.78 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.428 -0.795 . . . . 0.0 110.359 -179.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.622 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -63.53 -25.2 68.14 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.912 -1.118 . . . . 0.0 110.682 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 69.5 -31.92 0.22 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.489 -0.757 . . . . 0.0 109.664 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.693 HD22 HE22 ' A' ' 25' ' ' GLN . 4.9 m-80 -152.74 152.15 31.34 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.069 -1.019 . . . . 0.0 109.79 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.12 -18.02 1.3 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.247 -0.908 . . . . 0.0 109.264 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -58.9 4.3 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.135 -0.978 . . . . 0.0 110.376 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.693 HE22 HD22 ' A' ' 22' ' ' ASN . 0.9 OUTLIER -66.6 -11.46 53.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.831 -1.168 . . . . 0.0 110.513 -178.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.539 HG23 ' CB ' ' A' ' 20' ' ' ALA . 4.0 t -69.96 -60.4 2.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 120.875 -1.14 . . . . 0.0 108.261 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -58.25 -29.0 65.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.398 -0.814 . . . . 0.0 110.126 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -61.37 -60.69 3.34 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.942 -1.099 . . . . 0.0 108.592 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.486 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -51.32 -42.87 61.51 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.491 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.57 -35.96 79.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.765 -1.209 . . . . 0.0 110.03 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.6 m -63.46 -29.58 70.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.702 -1.249 . . . . 0.0 108.158 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -73.43 -38.74 65.44 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.658 ' O ' ' N ' ' A' ' 37' ' ' ALA . 2.4 mtt -58.17 -42.05 85.2 Favored 'General case' 0 C--O 1.202 -1.421 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.459 HH12 HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.88 -46.46 31.56 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 178.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.67 -52.23 40.41 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.41 -20.76 66.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.43 -0.794 . . . . 0.0 109.69 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.658 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.6 -73.1 0.14 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.885 . . . . 0.0 110.797 -178.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 5.8 mt -63.53 -26.81 68.88 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.619 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.11 -39.13 85.13 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 44' ' ' THR . . . -60.31 -31.73 70.54 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.431 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -45.98 -39.3 8.8 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -92.14 7.88 40.46 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.535 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.06 107.11 0.94 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 40' ' ' ALA . 72.3 p . . . . . 0 N--CA 1.487 1.381 0 O-C-N 121.419 -0.801 . . . . 0.0 109.762 -177.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.3 t80 . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.577 ' O ' ' N ' ' A' ' 66' ' ' ASP . 20.7 ttp180 -55.41 -37.55 67.76 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 176.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 30.5 t60 -51.14 -41.96 60.44 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.15 -44.27 77.16 Favored Glycine 0 N--CA 1.501 3.027 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -70.15 -37.87 75.35 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 62' ' ' ARG . 16.8 t70 -49.09 -40.78 33.25 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 mt -66.35 -64.97 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.293 -0.879 . . . . 0.0 109.3 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 pp -55.59 -41.32 73.24 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.657 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.459 HG12 HH12 ' A' ' 34' ' ' ARG . 66.0 t -67.06 -24.98 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 120.892 -1.13 . . . . 0.0 110.155 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.65 -45.18 36.82 Favored Glycine 0 N--CA 1.495 2.586 0 O-C-N 121.125 -0.984 . . . . 0.0 111.396 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.556 ' NE2' ' OE1' ' A' ' 93' ' ' GLN . 1.6 pt20 -70.6 -28.48 64.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.762 -1.434 . . . . 0.0 110.539 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.534 HD11 HD13 ' A' ' 94' ' ' LEU . 71.2 mt -60.3 -55.46 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 76' ' ' LEU . 23.9 t0 -58.08 -40.1 80.2 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.492 -0.755 . . . . 0.0 109.002 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.93 -20.56 24.17 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 117.473 -1.691 . . . . 0.0 108.408 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.01 -35.23 69.38 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.545 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 7.1 tt -58.27 -39.5 79.39 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -63.73 -45.5 89.6 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 122.337 1.065 . . . . 0.0 109.865 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.548 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.1 mp -62.88 -57.86 9.37 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.495 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HA ' ' H ' ' A' ' 83' ' ' LYS . . . -46.72 -37.82 9.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.177 -0.952 . . . . 0.0 109.797 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 2.3 m120 -59.96 -27.65 66.99 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 78' ' ' LEU . 71.7 tt0 -86.65 3.39 44.81 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.3 37.94 7.99 Favored Glycine 0 N--CA 1.495 2.611 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.385 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.435 ' H ' ' HA ' ' A' ' 79' ' ' ALA . 11.0 mmpt? -95.66 65.84 2.67 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.817 -1.402 . . . . 0.0 109.615 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.57 -44.27 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.261 -0.9 . . . . 0.0 110.497 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.412 ' H ' ' HG3' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -73.19 -54.07 9.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.224 -0.922 . . . . 0.0 110.177 -179.099 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -42.07 91.74 Favored 'General case' 0 C--N 1.29 -1.998 0 O-C-N 121.764 -0.585 . . . . 0.0 109.637 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.34 92.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.004 -1.06 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.687 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 28.2 mt-30 -65.13 -47.01 78.62 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.232 -0.917 . . . . 0.0 108.751 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.19 97.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.093 -1.004 . . . . 0.0 108.489 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.02 -25.69 67.08 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -62.16 -42.72 99.54 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -65.62 -12.66 55.22 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.57 -0.706 . . . . 0.0 109.76 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.675 ' C ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -78.23 -33.02 50.09 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 178.626 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.534 HD13 HD11 ' A' ' 72' ' ' ILE . 21.5 tp -67.42 -47.34 70.52 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -54.6 -67.7 0.25 Allowed 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 121.705 0.764 . . . . 0.0 110.029 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.4 m -62.83 -29.25 70.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.24 -0.912 . . . . 0.0 110.56 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.576 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.3 m -49.95 -55.64 13.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.813 -1.179 . . . . 0.0 108.676 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.76 -56.05 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.356 -0.84 . . . . 0.0 109.072 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -56.04 -50.93 69.55 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.527 -1.358 . . . . 0.0 110.686 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.443 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -61.1 -30.36 70.31 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.844 -1.16 . . . . 0.0 109.279 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.573 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 3.3 m-30 -77.5 18.47 0.43 Allowed 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASN . . . . . 0.573 ' ND2' ' O ' ' A' ' 101' ' ' TYR . 1.6 m-80 74.52 58.85 0.07 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -178.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.559 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.1 OUTLIER 47.36 54.56 9.38 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 105.085 -2.191 . . . . 0.0 105.085 -175.662 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 101' ' ' TYR . 32.6 tptt 66.1 -70.72 0.1 Allowed 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 113.498 -1.683 . . . . 0.0 109.277 -177.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.17 27.59 0.68 Allowed 'General case' 0 C--N 1.292 -1.918 0 O-C-N 119.758 -1.839 . . . . 0.0 107.634 177.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 CA-C-O 118.016 -1.435 . . . . 0.0 109.6 -179.048 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.639 0.733 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.505 ' CG ' ' H ' ' A' ' 3' ' ' LEU . 28.0 t0 -81.02 -159.13 0.23 Allowed 'General case' 0 N--CA 1.494 1.775 0 CA-C-O 121.615 0.721 . . . . 0.0 110.302 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.505 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 4.4 mm? -48.38 -34.22 10.41 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.687 -0.633 . . . . 0.0 109.976 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -57.31 -28.33 62.98 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.306 -0.871 . . . . 0.0 109.932 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 8' ' ' GLU . 13.7 t0 -75.13 -40.93 59.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.087 -1.008 . . . . 0.0 110.648 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.517 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -49.87 -40.6 43.16 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 179.143 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.517 ' N ' HD22 ' A' ' 6' ' ' ASN . 2.6 m95 -60.25 -39.56 87.19 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 177.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 5' ' ' ASP . 35.7 tt0 -59.76 -49.4 77.87 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.599 -0.688 . . . . 0.0 109.409 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.4 m -51.79 -50.37 60.87 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 107.514 -1.291 . . . . 0.0 107.514 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.77 -27.99 69.57 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.281 178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.405 HD22 ' HA ' ' A' ' 11' ' ' ASN . 1.8 t-20 -63.95 -67.78 0.4 Allowed 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.454 -1.404 . . . . 0.0 110.08 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.17 -19.76 0.85 Allowed 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 11' ' ' ASN . 6.1 m-80 -68.65 -61.71 1.7 Allowed 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 117.987 -1.485 . . . . 0.0 108.27 -179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.533 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.2 mm? -53.57 -33.81 56.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.05 -1.031 . . . . 0.0 108.689 178.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -58.48 -51.13 71.16 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.579 -0.7 . . . . 0.0 110.691 -179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.654 ' O ' ' N ' ' A' ' 20' ' ' ALA . 38.4 t -67.54 -56.01 14.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.851 -1.156 . . . . 0.0 111.255 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -50.29 -44.32 23.22 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.417 0 O-C-N 120.043 -1.661 . . . . 0.0 107.472 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 4.7 mm-40 -59.63 -32.96 70.91 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 178.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' VAL . 13.7 mtpp -125.09 36.16 4.64 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.492 -0.755 . . . . 0.0 110.038 -178.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.5 -19.12 65.39 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.291 -0.881 . . . . 0.0 110.14 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 19' ' ' LYS . 1.5 m-20 66.42 -32.95 0.18 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.517 -0.74 . . . . 0.0 109.604 -178.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.728 HD22 HE22 ' A' ' 25' ' ' GLN . 6.0 m-80 -152.97 152.13 31.08 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.171 -0.955 . . . . 0.0 109.438 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.8 -14.78 0.4 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.203 -0.935 . . . . 0.0 109.759 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.99 -57.58 5.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.008 -1.058 . . . . 0.0 110.503 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.728 HE22 HD22 ' A' ' 22' ' ' ASN . 1.8 mt-30 -65.02 -13.52 58.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.838 -1.164 . . . . 0.0 110.067 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.529 HG23 ' CB ' ' A' ' 20' ' ' ALA . 18.7 t -70.81 -51.64 34.62 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -55.15 -37.45 66.98 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.844 0.831 . . . . 0.0 109.177 179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -60.87 -62.8 1.59 Allowed 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.89 -49.83 48.13 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.659 -0.651 . . . . 0.0 110.812 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.3 mt -58.94 -35.69 73.53 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.029 -1.044 . . . . 0.0 110.048 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.3 m -64.15 -30.39 71.46 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.89 -1.131 . . . . 0.0 108.879 179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 5.4 mmtt -73.78 -42.13 61.45 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 107.221 -1.399 . . . . 0.0 107.221 178.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.681 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -54.4 -39.0 66.86 Favored 'General case' 0 C--O 1.2 -1.525 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 178.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.427 HH21 ' HB3' ' A' ' 33' ' ' MET . 0.0 OUTLIER -51.31 -48.71 62.27 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 177.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.58 -54.02 23.34 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 109.144 -0.688 . . . . 0.0 109.144 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.89 -22.4 66.99 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.398 -0.814 . . . . 0.0 109.672 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.82 -73.93 0.12 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.247 -0.908 . . . . 0.0 110.891 -178.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 8.7 mt -62.63 -23.89 67.31 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 119.289 -0.964 . . . . 0.0 109.482 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.24 -39.64 91.05 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 105.784 -1.932 . . . . 0.0 105.784 178.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.94 -25.79 67.8 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 177.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.5 OUTLIER -47.08 -40.94 16.2 Favored 'General case' 0 N--CA 1.505 2.31 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 178.297 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -111.84 25.62 11.44 Favored 'General case' 0 N--CA 1.5 2.063 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.353 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -166.13 68.02 0.11 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.975 -1.078 . . . . 0.0 108.644 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.526 HG23 ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -123.59 154.49 66.53 Favored Pre-proline 0 N--CA 1.497 1.884 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -178.7 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -33.1 -40.32 0.12 Allowed 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 122.454 2.102 . . . . 0.0 114.422 -179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.536 ' O ' ' N ' ' A' ' 48' ' ' LEU . 17.1 Cg_endo -96.77 2.41 1.82 Allowed 'Trans proline' 0 C--N 1.317 -1.115 0 C-N-CA 122.712 2.275 . . . . 0.0 111.893 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.656 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 41.95 19.65 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.668 -0.645 . . . . 0.0 109.965 -179.413 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.608 HD23 ' CD1' ' A' ' 61' ' ' PHE . 1.5 tm? 43.2 -84.2 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -178.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.656 ' N ' ' O ' ' A' ' 47' ' ' LYS . 21.4 mp0 -63.54 102.4 0.43 Allowed 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.811 -1.18 . . . . 0.0 108.344 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -90.94 -3.79 57.02 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.699 ' CG ' ' H ' ' A' ' 52' ' ' SER . 4.9 pttp -165.67 -74.51 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.699 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 3.7 m -175.41 61.8 0.22 Allowed Pre-proline 0 C--N 1.307 -1.267 0 O-C-N 121.226 -0.921 . . . . 0.0 109.135 178.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 52' ' ' SER . 50.2 Cg_exo -51.7 -69.2 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.176 1.917 . . . . 0.0 111.584 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 55' ' ' SER . 39.0 m-20 -138.7 -58.84 0.62 Allowed 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 60.4 p 115.17 -43.67 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.578 0 C-N-CA 123.761 0.824 . . . . 0.0 111.377 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.497 ' C ' ' H ' ' A' ' 58' ' ' MET . 6.1 Cg_exo -79.99 -39.67 0.27 Allowed 'Trans proline' 0 N--CA 1.489 1.212 0 CA-C-N 121.337 1.513 . . . . 0.0 109.72 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -58.76 -1.0 0.12 Allowed 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.497 ' H ' ' C ' ' A' ' 56' ' ' PRO . 3.1 ttp -67.18 -57.82 6.02 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.94 -1.1 . . . . 0.0 109.24 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 10.9 tptt -52.23 -35.0 48.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.131 -1.606 . . . . 0.0 108.71 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 63' ' ' HIS . 2.0 m-20 -57.15 -37.83 72.63 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.217 -1.401 . . . . 0.0 107.217 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.608 ' CD1' HD23 ' A' ' 48' ' ' LEU . 37.2 t80 -55.51 -34.7 64.87 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 106.327 -1.731 . . . . 0.0 106.327 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.618 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.6 OUTLIER -54.81 -36.71 65.26 Favored 'General case' 0 C--O 1.2 -1.516 0 N-CA-C 106.755 -1.572 . . . . 0.0 106.755 176.571 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' ASP . 17.8 t60 -51.05 -43.58 60.96 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -66.66 -49.62 54.3 Favored Glycine 0 N--CA 1.5 2.916 0 N-CA-C 108.894 -1.682 . . . . 0.0 108.894 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.95 -33.33 75.58 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.618 ' N ' ' O ' ' A' ' 62' ' ' ARG . 9.9 t0 -56.08 -37.15 68.95 Favored 'General case' 0 C--N 1.295 -1.797 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.4 mt -65.43 -67.37 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.464 -0.772 . . . . 0.0 109.325 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 pp -54.55 -45.85 73.52 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.388 -0.82 . . . . 0.0 109.687 -178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.542 ' HA ' HD12 ' A' ' 72' ' ' ILE . 93.8 t -65.98 -18.84 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.784 -1.197 . . . . 0.0 110.269 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.86 -49.43 42.17 Favored Glycine 0 N--CA 1.493 2.436 0 C-N-CA 119.991 -1.1 . . . . 0.0 110.956 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.422 ' OE1' ' OE1' ' A' ' 93' ' ' GLN . 1.8 pt20 -72.0 -22.61 61.39 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.807 -1.408 . . . . 0.0 110.658 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.859 HD11 HD13 ' A' ' 94' ' ' LEU . 83.7 mt -61.22 -61.68 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 120.437 -1.414 . . . . 0.0 107.797 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -56.45 -32.77 65.24 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -62.3 -21.83 65.56 Favored 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 117.576 -1.649 . . . . 0.0 107.997 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.51 -34.38 70.04 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 176.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 tt -59.91 -39.52 85.71 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 106.796 -1.557 . . . . 0.0 106.796 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 ttpp -63.97 -46.55 84.15 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 122.502 1.144 . . . . 0.0 109.542 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.581 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.5 mp -63.92 -55.7 20.69 Favored 'General case' 0 C--N 1.29 -2.008 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.642 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.04 -37.08 6.27 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.128 -0.983 . . . . 0.0 109.713 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -64.49 -27.71 69.16 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.581 ' N ' ' O ' ' A' ' 78' ' ' LEU . 27.0 tt0 -86.05 4.74 36.68 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.58 40.17 6.46 Favored Glycine 0 N--CA 1.497 2.707 0 O-C-N 121.128 -0.983 . . . . 0.0 111.54 178.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -101.15 66.72 1.14 Allowed 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.939 -1.33 . . . . 0.0 109.416 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.1 t -62.76 -58.49 7.32 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 O-C-N 121.645 -0.659 . . . . 0.0 110.598 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -47.21 59.16 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.219 -0.926 . . . . 0.0 109.78 -178.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -59.33 -47.01 87.01 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 121.76 -0.587 . . . . 0.0 109.87 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.31 -38.36 90.86 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.933 -1.104 . . . . 0.0 108.688 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.64 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 26.2 mt-30 -64.86 -41.05 96.0 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 108.453 -0.944 . . . . 0.0 108.453 179.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.19 96.36 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.5 -21.72 62.74 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -65.09 -50.15 67.23 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.273 -0.892 . . . . 0.0 109.338 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -61.71 -12.82 18.31 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.097 -1.002 . . . . 0.0 109.101 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.614 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.93 -39.85 61.15 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 178.46 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.859 HD13 HD11 ' A' ' 72' ' ' ILE . 57.1 tp -67.13 -41.52 86.01 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.437 -0.789 . . . . 0.0 109.112 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -57.55 -63.11 1.35 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.101 -0.999 . . . . 0.0 109.199 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.5 m -65.41 -25.48 67.56 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.369 -0.832 . . . . 0.0 110.473 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.614 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 4.9 m -49.64 -58.42 5.3 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.694 -1.254 . . . . 0.0 108.302 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.3 mp -57.61 -55.74 19.52 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.66 -0.65 . . . . 0.0 109.914 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.547 ' HE ' ' C ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -57.99 -49.48 76.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.726 -1.234 . . . . 0.0 110.862 -179.056 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.48 -35.92 77.05 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.988 -1.07 . . . . 0.0 109.522 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.488 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.1 m-30 -69.57 -5.0 21.53 Favored 'General case' 0 C--N 1.296 -1.725 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.5 t30 90.62 66.34 0.0 OUTLIER 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 -176.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.572 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.0 OUTLIER 47.36 54.84 9.01 Favored 'General case' 0 C--N 1.314 -0.964 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -176.606 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.562 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 30.5 tptt 63.21 -95.03 0.04 OUTLIER 'General case' 0 C--N 1.304 -1.376 0 CA-C-N 113.897 -1.501 . . . . 0.0 108.744 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.562 ' CD1' ' O ' ' A' ' 104' ' ' LYS . 22.2 m-85 -145.71 20.6 1.48 Allowed 'General case' 0 N--CA 1.503 2.225 0 O-C-N 119.636 -1.915 . . . . 0.0 109.914 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.398 0 CA-C-O 118.067 -1.407 . . . . 0.0 109.657 179.556 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.405 0.622 . . . . 0.0 109.746 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -157.37 4.04 0.13 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.435 -0.791 . . . . 0.0 110.061 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.48 -37.78 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 107.105 -1.443 . . . . 0.0 107.105 -179.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -61.36 -16.1 42.87 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 8' ' ' GLU . 12.4 p-10 -76.65 -48.09 20.13 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.108 -0.995 . . . . 0.0 110.497 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.688 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -49.65 -39.58 36.64 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 179.109 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.688 ' N ' HD22 ' A' ' 6' ' ' ASN . 4.3 m95 -59.19 -37.17 76.77 Favored 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.761 178.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' ASP . 15.5 tm-20 -61.32 -43.09 99.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.392 -0.817 . . . . 0.0 109.128 -179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.433 HG22 ' HB2' ' A' ' 36' ' ' ALA . 2.7 m -55.64 -52.46 63.73 Favored 'General case' 0 C--N 1.303 -1.447 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 mp -64.07 -28.58 69.88 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.44 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -59.02 -65.23 0.7 Allowed 'General case' 0 C--N 1.29 -1.984 0 O-C-N 120.81 -1.181 . . . . 0.0 110.523 -178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -52.53 -23.04 5.59 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 120.091 -0.643 . . . . 0.0 109.565 -178.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.57 -56.93 10.81 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 117.548 -1.661 . . . . 0.0 108.537 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.0 mm? -58.57 -35.69 72.78 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.062 -1.024 . . . . 0.0 109.136 179.05 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ttpp -54.24 -51.3 64.93 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.705 -0.622 . . . . 0.0 110.633 -178.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.615 ' O ' ' N ' ' A' ' 20' ' ' ALA . 18.6 t -68.48 -56.78 11.2 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 O-C-N 120.868 -1.145 . . . . 0.0 111.659 -178.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -42.33 19.17 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.481 0 O-C-N 120.009 -1.682 . . . . 0.0 107.987 -178.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 7.9 mm-40 -62.58 -26.14 68.44 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 178.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' A' ' 16' ' ' VAL . 14.7 mtpp -129.0 32.03 4.81 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.5 -0.75 . . . . 0.0 110.282 -178.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.615 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.1 -13.4 47.42 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.992 -1.068 . . . . 0.0 110.748 -179.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 66.59 -35.62 0.24 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.357 -0.84 . . . . 0.0 109.825 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.557 HD22 HE22 ' A' ' 25' ' ' GLN . 3.8 m-80 -152.96 151.71 30.62 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.249 -0.907 . . . . 0.0 109.731 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.484 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -52.93 -14.95 0.65 Allowed 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.143 -0.973 . . . . 0.0 109.18 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.71 -58.79 4.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.866 -1.146 . . . . 0.0 110.031 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.557 HE22 HD22 ' A' ' 22' ' ' ASN . 1.2 mp0 -65.57 -12.92 57.33 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.789 -1.194 . . . . 0.0 109.863 -179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.512 HG23 ' CB ' ' A' ' 20' ' ' ALA . 18.6 t -70.48 -46.97 68.18 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HG2' ' ND2' ' A' ' 80' ' ' ASN . 35.5 mtpt -54.99 -43.59 73.7 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.945 0.879 . . . . 0.0 108.923 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.52 -60.79 3.16 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.512 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -44.04 -52.05 7.39 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-O 121.256 0.55 . . . . 0.0 110.583 -178.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.7 mt -59.94 -32.7 71.04 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.17 -0.956 . . . . 0.0 110.547 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.4 m -66.28 -30.54 70.99 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 120.347 -1.47 . . . . 0.0 108.027 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HG2' ' H ' ' A' ' 32' ' ' LYS . 4.5 mmtt -69.7 -41.11 75.82 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 178.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.686 ' O ' ' N ' ' A' ' 37' ' ' ALA . 1.3 mtp -54.29 -51.73 63.69 Favored 'General case' 0 C--O 1.2 -1.542 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.474 ' NH2' ' O ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -37.31 -49.99 0.99 Allowed 'General case' 0 N--CA 1.501 2.08 0 CA-C-O 121.869 0.842 . . . . 0.0 109.244 179.179 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.99 -55.69 13.35 Favored 'General case' 0 C--N 1.3 -1.554 0 C-N-CA 119.867 -0.733 . . . . 0.0 109.299 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' HB2' HG22 ' A' ' 9' ' ' THR . . . -66.23 -21.35 66.29 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.476 -0.765 . . . . 0.0 110.208 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.686 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -63.09 -69.84 0.24 Allowed 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.119 -0.988 . . . . 0.0 109.981 -179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.41 -19.7 66.06 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.208 -0.933 . . . . 0.0 109.429 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 52.4 t0 -61.73 -40.99 97.03 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 43' ' ' ALA . . . -58.52 -35.72 72.71 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.32 -41.45 13.33 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -86.25 -5.01 59.28 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.786 -0.572 . . . . 0.0 110.617 -179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 40' ' ' ALA . . . -162.85 93.12 0.8 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.725 -1.234 . . . . 0.0 108.952 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.505 HG23 ' HD2' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -135.49 154.86 78.67 Favored Pre-proline 0 N--CA 1.493 1.692 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 -179.283 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -30.6 -41.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.315 -1.212 0 C-N-CA 122.655 2.236 . . . . 0.0 114.587 -179.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.534 ' O ' ' N ' ' A' ' 48' ' ' LEU . 9.9 Cg_endo -95.7 -1.45 2.21 Favored 'Trans proline' 0 C--N 1.316 -1.137 0 C-N-CA 122.864 2.376 . . . . 0.0 111.974 179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.579 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 37.49 25.88 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.992 -0.443 . . . . 0.0 110.281 -179.633 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.675 HD23 ' CG ' ' A' ' 61' ' ' PHE . 3.3 tm? 40.93 -88.88 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 47' ' ' LYS . 0.3 OUTLIER -68.36 97.68 0.77 Allowed 'General case' 0 C--N 1.304 -1.375 0 O-C-N 120.708 -1.245 . . . . 0.0 107.987 178.742 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.23 7.88 43.75 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.679 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.2 OUTLIER -164.86 -85.96 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.679 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 21.4 m -171.78 70.28 0.46 Allowed Pre-proline 0 N--CA 1.486 1.33 0 O-C-N 121.021 -1.05 . . . . 0.0 109.49 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -69.98 -76.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.113 1.876 . . . . 0.0 111.046 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.548 ' O ' ' CB ' ' A' ' 55' ' ' SER . 90.7 m-20 -135.71 -54.42 0.77 Allowed 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.548 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 54.3 p 113.59 -44.37 0.0 OUTLIER Pre-proline 0 N--CA 1.511 2.609 0 C-N-CA 123.727 0.811 . . . . 0.0 112.205 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.405 ' C ' ' H ' ' A' ' 58' ' ' MET . 6.1 Cg_exo -80.48 -35.64 0.57 Allowed 'Trans proline' 0 N--CA 1.489 1.262 0 CA-C-N 121.683 1.637 . . . . 0.0 109.501 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -58.52 -7.32 0.89 Allowed 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.405 ' H ' ' C ' ' A' ' 56' ' ' PRO . 12.4 ttp -65.68 -50.65 64.12 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.175 -0.953 . . . . 0.0 109.242 -179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -54.11 -35.66 62.38 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.707 -1.246 . . . . 0.0 108.397 179.45 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' N ' ' A' ' 63' ' ' HIS . 0.2 OUTLIER -54.53 -36.82 64.67 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 106.044 -1.836 . . . . 0.0 106.044 178.125 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.675 ' CG ' HD23 ' A' ' 48' ' ' LEU . 4.1 t80 -55.46 -34.26 64.37 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 106.541 -1.652 . . . . 0.0 106.541 177.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 59' ' ' LYS . 1.1 ttt180 -53.51 -34.03 56.63 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 176.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 60' ' ' ASP . 10.0 t60 -55.56 -38.1 68.88 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -70.14 -44.73 59.34 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 109.259 -1.537 . . . . 0.0 109.259 179.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.565 ' O ' HG22 ' A' ' 69' ' ' VAL . 12.6 m-85 -72.11 -43.02 65.41 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.443 -1.318 . . . . 0.0 107.443 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 62' ' ' ARG . 10.7 t70 -43.75 -38.84 3.39 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 -179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mm -67.33 -66.61 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.312 0 O-C-N 121.759 -0.588 . . . . 0.0 110.035 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.2 pp -55.37 -48.45 74.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.192 -0.943 . . . . 0.0 110.503 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 65' ' ' PHE . 5.8 m -64.81 -21.51 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 120.438 -1.414 . . . . 0.0 109.794 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.427 ' O ' ' OD1' ' A' ' 73' ' ' ASP . . . -68.89 -48.24 49.76 Favored Glycine 0 N--CA 1.496 2.697 0 O-C-N 121.319 -0.863 . . . . 0.0 111.172 -178.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.554 ' NE2' ' OE1' ' A' ' 93' ' ' GLN . 1.6 pt20 -71.99 -26.16 62.13 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.695 -1.473 . . . . 0.0 109.11 -179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.408 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 4.0 mm -61.15 -57.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 3.5 p30 -58.79 -32.24 69.15 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.546 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 22.8 t70 -59.82 -20.0 54.22 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 117.743 -1.583 . . . . 0.0 107.327 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 72' ' ' ILE . . . -72.57 -35.43 67.95 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 176.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.467 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 5.0 tt -57.77 -39.76 78.2 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 177.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -64.12 -45.18 89.7 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-O 122.337 1.065 . . . . 0.0 110.034 179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.545 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.3 mp -64.47 -53.99 39.55 Favored 'General case' 0 C--N 1.289 -2.036 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.82 -179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.15 -32.88 4.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.084 -1.01 . . . . 0.0 109.209 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.7 m120 -65.73 -30.28 70.92 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 78' ' ' LEU . 24.6 tt0 -86.12 7.12 26.09 Favored 'General case' 0 N--CA 1.492 1.642 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.06 42.97 5.79 Favored Glycine 0 N--CA 1.497 2.742 0 O-C-N 121.253 -0.904 . . . . 0.0 111.474 178.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -101.2 70.95 1.36 Allowed 'General case' 0 N--CA 1.498 1.975 0 O-C-N 120.972 -1.311 . . . . 0.0 109.894 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.484 HG22 ' HB2' ' A' ' 23' ' ' ALA . 39.9 t -63.6 -52.34 58.86 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 CA-C-O 121.279 0.561 . . . . 0.0 110.033 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -74.8 -50.7 16.27 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.383 -0.823 . . . . 0.0 110.389 -178.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.65 -42.89 79.71 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.493 -0.754 . . . . 0.0 109.875 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.61 -46.79 84.18 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.04 -1.037 . . . . 0.0 109.85 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.579 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 25.1 mt-30 -63.58 -39.6 94.8 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.029 -1.044 . . . . 0.0 108.681 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.28 -43.1 96.52 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.971 -1.081 . . . . 0.0 108.248 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.95 -22.54 65.72 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 107.929 -1.138 . . . . 0.0 107.929 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -63.58 -52.0 62.9 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 120.842 -1.161 . . . . 0.0 108.535 178.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -64.27 -11.21 29.44 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.378 -0.826 . . . . 0.0 110.385 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.647 ' C ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -76.43 -32.61 58.58 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.7 tp -66.06 -51.55 57.08 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -50.54 -65.19 0.6 Allowed 'General case' 0 N--CA 1.492 1.649 0 CA-C-O 121.613 0.72 . . . . 0.0 109.799 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 m -64.19 -32.17 73.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.274 -0.891 . . . . 0.0 110.571 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.583 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.7 m -49.88 -54.97 16.2 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.696 -1.253 . . . . 0.0 108.988 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.04 -55.9 12.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.017 -1.052 . . . . 0.0 108.448 179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -58.53 -50.55 73.35 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.692 -1.255 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.17 -31.71 71.45 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.992 -1.068 . . . . 0.0 109.794 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.503 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.8 m-30 -72.77 -6.34 44.08 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 179.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.503 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.0 OUTLIER 91.25 66.2 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 104.62 -2.363 . . . . 0.0 104.62 -176.621 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.448 ' HA ' ' NE2' ' A' ' 103' ' ' GLN . 0.8 OUTLIER 46.39 57.49 5.33 Favored 'General case' 0 C--N 1.312 -1.064 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 -176.017 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.1 tptt 60.9 -80.37 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.204 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.82 2.77 1.06 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.111 -1.618 . . . . 0.0 109.75 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.118 0 CA-C-O 118.015 -1.436 . . . . 0.0 110.407 179.459 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.457 ' HB1' ' OD2' ' A' ' 5' ' ' ASP . . . . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.243 0.544 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -78.33 164.45 24.83 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.203 -0.936 . . . . 0.0 109.652 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.412 ' N ' ' CD2' ' A' ' 3' ' ' LEU . 3.9 mm? -49.8 -55.45 14.07 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.375 -0.828 . . . . 0.0 109.622 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.14 -28.14 67.66 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.239 -0.913 . . . . 0.0 109.772 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.457 ' OD2' ' HB1' ' A' ' 1' ' ' ALA . 24.2 t70 -76.46 -35.6 58.37 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.832 -1.168 . . . . 0.0 109.889 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.649 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -52.46 -41.9 63.71 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 178.45 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.649 ' N ' HD22 ' A' ' 6' ' ' ASN . 2.1 m95 -57.52 -41.01 80.01 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -58.3 -45.49 87.89 Favored 'General case' 0 N--CA 1.487 1.398 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.446 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.8 m -56.0 -56.28 22.63 Favored 'General case' 0 N--CA 1.487 1.377 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 178.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.35 -24.01 67.66 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.341 0.591 . . . . 0.0 109.892 179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -63.83 -68.9 0.31 Allowed 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.63 -1.294 . . . . 0.0 109.925 -179.324 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -54.65 -16.43 2.46 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.88 -0.513 . . . . 0.0 109.89 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 9' ' ' THR . 5.9 m-80 -66.59 -56.85 8.81 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 117.917 -1.513 . . . . 0.0 108.332 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.2 mm? -57.07 -34.6 68.44 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.11 -0.994 . . . . 0.0 108.931 179.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 ttpp -58.27 -45.39 87.97 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 121.722 -0.611 . . . . 0.0 110.098 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.635 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.7 t -68.52 -59.09 4.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.848 -1.158 . . . . 0.0 110.699 -178.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -48.43 -46.27 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.274 0 O-C-N 120.431 -1.418 . . . . 0.0 107.814 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 4.6 mm-40 -57.85 -31.14 66.38 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 178.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 16' ' ' VAL . 17.7 mtpt -127.08 36.55 4.42 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.482 -0.761 . . . . 0.0 110.116 -178.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.635 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.99 -15.14 61.96 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.247 -0.908 . . . . 0.0 110.416 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 64.5 -31.66 0.13 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.698 -0.626 . . . . 0.0 109.96 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.628 HD22 HE22 ' A' ' 25' ' ' GLN . 8.2 m-80 -154.39 152.64 30.43 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.141 -0.974 . . . . 0.0 109.72 179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.04 -13.15 0.28 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.165 -0.959 . . . . 0.0 109.383 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 22' ' ' ASN . . . -66.27 -62.52 1.43 Allowed 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.24 -0.913 . . . . 0.0 110.236 -179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.628 HE22 HD22 ' A' ' 22' ' ' ASN . 2.0 mt-30 -66.53 -10.82 48.87 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.963 -1.086 . . . . 0.0 110.425 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.498 HG23 ' CB ' ' A' ' 20' ' ' ALA . 12.1 t -69.2 -59.76 3.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.511 0 O-C-N 120.913 -1.117 . . . . 0.0 108.104 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.441 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 15.2 ptmt -57.92 -32.28 67.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.555 -0.716 . . . . 0.0 110.111 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.84 -61.15 2.7 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.148 -0.97 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.434 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -50.56 -41.62 54.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.744 -0.597 . . . . 0.0 110.624 -178.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.524 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 14.7 mt -60.23 -42.26 94.83 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.763 -1.211 . . . . 0.0 109.741 -179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.9 m -58.57 -34.02 70.59 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 120.886 -1.134 . . . . 0.0 109.316 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -72.25 -38.68 68.82 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.628 ' O ' ' N ' ' A' ' 37' ' ' ALA . 3.7 mtm -60.77 -42.26 97.12 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.524 ' NH1' ' O ' ' A' ' 30' ' ' LEU . 0.0 OUTLIER -48.23 -50.81 28.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.94 -1.1 . . . . 0.0 108.148 178.568 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.25 -52.4 41.28 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.292 0.568 . . . . 0.0 109.665 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.58 -25.31 68.18 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.263 -0.898 . . . . 0.0 109.322 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.628 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.63 -72.03 0.18 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.259 -0.9 . . . . 0.0 111.309 -179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.424 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 11.6 mt -58.78 -22.6 58.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.102 -0.998 . . . . 0.0 108.88 -178.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -61.74 -37.96 86.16 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -63.17 -28.35 69.99 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.633 HE21 ' C ' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -44.17 -46.05 8.64 Favored 'General case' 0 N--CA 1.511 2.597 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 178.02 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -106.92 23.05 15.0 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.303 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.79 55.14 0.11 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.511 HG23 ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -106.91 153.47 40.83 Favored Pre-proline 0 N--CA 1.494 1.754 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -178.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.46 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 20.1 Cg_exo -32.17 -41.68 0.12 Allowed 'Trans proline' 0 C--N 1.316 -1.173 0 C-N-CA 122.529 2.153 . . . . 0.0 114.248 -178.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.547 ' N ' ' OXT' ' A' ' 106' ' ' GLY . 10.8 Cg_endo -94.78 -12.75 0.89 Allowed 'Trans proline' 0 C--N 1.316 -1.168 0 C-N-CA 122.782 2.322 . . . . 0.0 112.181 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.595 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.7 OUTLIER 66.85 -2.35 1.14 Allowed 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.679 HD23 ' CD1' ' A' ' 61' ' ' PHE . 2.6 tm? 60.2 -75.25 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 -177.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.595 ' N ' ' O ' ' A' ' 47' ' ' LYS . 26.5 mt-10 -75.43 99.01 4.04 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 177.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 16.8 p-10 -92.22 -7.01 49.44 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.211 -0.931 . . . . 0.0 108.753 -179.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.657 ' CG ' ' H ' ' A' ' 52' ' ' SER . 13.0 pttt -166.11 -70.04 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.49 -0.756 . . . . 0.0 109.136 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.657 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 5.0 m -175.75 65.62 0.24 Allowed Pre-proline 0 C--N 1.308 -1.233 0 O-C-N 121.263 -0.898 . . . . 0.0 109.207 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -65.53 -77.36 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.022 1.815 . . . . 0.0 111.16 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.549 ' O ' ' CB ' ' A' ' 55' ' ' SER . 33.6 m-20 -136.82 -57.68 0.73 Allowed 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.549 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 53.6 p 112.98 -43.82 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.505 0 C-N-CA 123.583 0.753 . . . . 0.0 111.565 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.494 ' C ' ' H ' ' A' ' 58' ' ' MET . 5.9 Cg_exo -75.32 -38.78 1.32 Allowed 'Trans proline' 0 N--CA 1.488 1.16 0 CA-C-N 121.652 1.626 . . . . 0.0 108.914 177.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -59.1 -4.45 0.51 Allowed 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.494 ' H ' ' C ' ' A' ' 56' ' ' PRO . 51.4 ttp -67.5 -66.7 0.53 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.463 -0.773 . . . . 0.0 109.02 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' ' 62' ' ' ARG . 11.3 tptt -50.82 -35.83 34.25 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.674 -1.266 . . . . 0.0 108.519 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 63' ' ' HIS . 2.0 m-20 -56.07 -35.44 66.97 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 178.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.679 ' CD1' HD23 ' A' ' 48' ' ' LEU . 15.1 t80 -54.9 -36.37 65.12 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 106.19 -1.781 . . . . 0.0 106.19 177.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.577 ' O ' ' N ' ' A' ' 66' ' ' ASP . 14.7 ttp180 -52.45 -31.94 37.18 Favored 'General case' 0 C--O 1.203 -1.381 0 N-CA-C 106.78 -1.563 . . . . 0.0 106.78 176.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.52 ' N ' ' O ' ' A' ' 60' ' ' ASP . 53.4 t60 -54.41 -33.83 60.14 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 177.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -71.62 -52.02 13.99 Favored Glycine 0 N--CA 1.497 2.74 0 N-CA-C 109.228 -1.549 . . . . 0.0 109.228 178.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -70.49 -36.91 74.09 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.487 -1.008 . . . . 0.0 108.884 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 62' ' ' ARG . 14.7 t70 -54.45 -41.5 69.53 Favored 'General case' 0 C--N 1.29 -2.002 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -178.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.1 mm -64.25 -64.15 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.407 -0.808 . . . . 0.0 110.226 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.42 HD13 HD11 ' A' ' 94' ' ' LEU . 2.2 pp -53.81 -45.85 70.93 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.239 -0.913 . . . . 0.0 109.992 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.405 HG22 ' HE ' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -67.5 -17.47 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 120.548 -1.345 . . . . 0.0 109.923 178.514 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.59 -57.56 8.89 Favored Glycine 0 N--CA 1.487 2.046 0 C-N-CA 119.71 -1.233 . . . . 0.0 111.727 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.406 HE21 ' HB2' ' A' ' 71' ' ' GLN . 2.0 pt20 -72.72 -26.13 61.47 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.749 -1.442 . . . . 0.0 110.029 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.51 HG21 ' NH2' ' A' ' 34' ' ' ARG . 3.6 mm -60.52 -57.12 13.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 121.167 -0.958 . . . . 0.0 109.037 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -56.82 -36.66 70.21 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.1 -20.91 64.54 Favored 'General case' 0 C--N 1.298 -1.672 0 C-N-CA 117.475 -1.69 . . . . 0.0 107.734 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 72' ' ' ILE . . . -71.61 -34.81 70.16 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 105.678 -1.971 . . . . 0.0 105.678 176.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.533 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 5.4 tt -57.97 -39.52 78.36 Favored 'General case' 0 N--CA 1.486 1.368 0 N-CA-C 106.427 -1.694 . . . . 0.0 106.427 177.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.2 ttpp -65.84 -47.67 74.21 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.421 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.604 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.3 mp -63.12 -55.91 21.32 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 121.685 -0.634 . . . . 0.0 109.814 -179.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HA ' ' H ' ' A' ' 83' ' ' LYS . . . -44.69 -39.47 5.14 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.085 -1.009 . . . . 0.0 109.615 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.4 m120 -60.45 -30.4 69.64 Favored 'General case' 0 N--CA 1.491 1.586 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 178.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.604 ' N ' ' O ' ' A' ' 78' ' ' LEU . 11.9 tp10 -84.53 3.09 38.13 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.4 43.96 5.41 Favored Glycine 0 N--CA 1.498 2.809 0 O-C-N 121.212 -0.93 . . . . 0.0 111.918 178.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.409 ' H ' ' HA ' ' A' ' 79' ' ' ALA . 25.6 mmtp -103.61 68.49 0.94 Allowed 'General case' 0 N--CA 1.504 2.239 0 O-C-N 120.886 -1.361 . . . . 0.0 109.547 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.5 t -61.84 -42.44 94.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.857 0 O-C-N 121.484 -0.76 . . . . 0.0 110.782 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.79 -55.21 6.5 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.038 -1.039 . . . . 0.0 110.205 -178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -44.31 90.05 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.683 -0.636 . . . . 0.0 110.128 -178.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.4 -49.65 74.67 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.927 -1.108 . . . . 0.0 109.322 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.614 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 27.1 mt-30 -62.67 -37.74 87.61 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.25 81.38 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.0 -23.53 66.48 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.875 -1.158 . . . . 0.0 107.875 178.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.614 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.58 -54.31 34.0 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.749 -0.594 . . . . 0.0 109.714 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -61.58 -15.42 38.75 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.076 -1.015 . . . . 0.0 109.346 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.607 ' NE2' ' HG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -75.35 -43.22 51.71 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 107.547 -1.279 . . . . 0.0 107.547 179.125 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.538 ' CD2' ' SD ' ' A' ' 33' ' ' MET . 16.0 tp -67.14 -38.72 86.03 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.118 -0.989 . . . . 0.0 109.217 178.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.3 mttt -56.7 -69.69 0.14 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.116 -0.99 . . . . 0.0 109.857 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 100' ' ' ALA . 0.7 OUTLIER -64.46 -23.91 67.44 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.388 -0.82 . . . . 0.0 110.247 -178.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.607 ' HG1' ' NE2' ' A' ' 93' ' ' GLN . 1.9 m -48.46 -60.64 2.52 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 120.641 -1.287 . . . . 0.0 108.297 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.2 mp -56.0 -57.67 7.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 O-C-N 121.791 -0.568 . . . . 0.0 109.645 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -58.22 -50.89 71.96 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 120.661 -1.275 . . . . 0.0 110.784 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 96' ' ' THR . . . -62.0 -29.62 70.39 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 120.886 -1.134 . . . . 0.0 109.304 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.51 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.3 m-30 -73.0 -6.42 45.33 Favored 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 178.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.51 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.2 t30 90.59 64.9 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -176.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.512 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.3 OUTLIER 47.81 56.89 6.57 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.64 -1.615 . . . . 0.0 106.64 -176.307 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.5 tptt 58.72 -83.16 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 114.502 -1.226 . . . . 0.0 109.314 -179.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.64 10.15 1.21 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.382 -1.449 . . . . 0.0 109.087 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.547 ' OXT' ' N ' ' A' ' 46' ' ' PRO . . . . . . . . 0 N--CA 1.486 2.007 0 CA-C-O 118.112 -1.382 . . . . 0.0 109.682 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 121.483 0.658 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 0.9 OUTLIER -77.73 -155.12 0.07 Allowed 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.474 -0.766 . . . . 0.0 109.856 -179.677 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -43.72 -26.82 0.27 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.568 -0.708 . . . . 0.0 110.135 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -62.47 -24.09 67.26 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.957 -1.09 . . . . 0.0 110.564 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 22.0 p-10 -74.31 -36.96 63.73 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.802 -1.186 . . . . 0.0 110.991 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.529 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -52.76 -39.91 62.63 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.1 -1.815 . . . . 0.0 106.1 179.102 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.546 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.6 m95 -62.08 -43.79 98.08 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -51.78 -47.92 64.01 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.518 -0.739 . . . . 0.0 109.409 -178.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.412 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 1.2 m -54.35 -57.3 11.79 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.487 ' CD1' ' HB1' ' A' ' 36' ' ' ALA . 1.2 mp -65.51 -24.92 67.25 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-O 121.497 0.665 . . . . 0.0 109.309 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.546 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.6 OUTLIER -63.23 -65.74 0.64 Allowed 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.694 -1.254 . . . . 0.0 109.919 -178.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.92 -18.82 3.76 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.752 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 9' ' ' THR . 7.3 m-80 -65.73 -58.22 6.18 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 117.804 -1.558 . . . . 0.0 108.581 -179.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.4 mm? -56.14 -33.59 65.32 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.148 -0.97 . . . . 0.0 109.011 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' HZ1' ' HE2' ' A' ' 19' ' ' LYS . 13.7 ttpp -59.11 -49.42 77.96 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.706 -0.621 . . . . 0.0 111.038 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.562 ' O ' ' N ' ' A' ' 20' ' ' ALA . 3.1 t -66.87 -53.2 36.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 O-C-N 120.632 -1.292 . . . . 0.0 111.03 -178.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.459 HD11 ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -50.96 -45.03 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 120.21 -1.556 . . . . 0.0 107.89 -179.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' HA ' HE21 ' A' ' 88' ' ' GLN . 3.9 mm-40 -60.81 -25.97 66.98 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 16' ' ' VAL . 12.1 mtpt -127.73 38.08 4.1 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.575 -0.703 . . . . 0.0 109.508 -178.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.04 -34.02 77.07 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.468 -0.77 . . . . 0.0 111.32 -179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 1.7 m-20 72.69 -35.34 0.32 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.238 -0.914 . . . . 0.0 109.135 -178.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.762 HD22 HE22 ' A' ' 25' ' ' GLN . 9.3 m-80 -152.26 153.85 34.57 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.149 -0.97 . . . . 0.0 109.901 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.78 -19.33 4.14 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.293 -0.879 . . . . 0.0 109.511 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.01 -54.06 36.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.201 -0.937 . . . . 0.0 109.949 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.762 HE22 HD22 ' A' ' 22' ' ' ASN . 1.9 mt-30 -70.26 -14.68 62.71 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.801 -1.187 . . . . 0.0 110.437 -179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.1 t -68.02 -63.89 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 O-C-N 120.91 -1.119 . . . . 0.0 108.728 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -26.43 39.48 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.789 -0.57 . . . . 0.0 109.706 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.402 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 3.2 t70 -60.54 -61.76 2.36 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 120.973 -1.079 . . . . 0.0 108.51 179.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.48 -48.82 47.51 Favored 'General case' 0 C--N 1.299 -1.622 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.709 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.9 mt -58.01 -36.42 72.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.928 -1.108 . . . . 0.0 109.623 -179.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.2 m -64.69 -30.88 71.91 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 120.623 -1.298 . . . . 0.0 108.475 178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 28' ' ' ASP . 6.0 mmtt -73.72 -37.66 65.06 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 107.24 -1.393 . . . . 0.0 107.24 178.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.671 ' O ' ' N ' ' A' ' 37' ' ' ALA . 7.1 mtt -56.53 -44.04 80.43 Favored 'General case' 0 C--O 1.199 -1.554 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 178.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.52 HH12 ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.26 -49.63 23.08 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.258 -0.901 . . . . 0.0 108.779 179.136 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.62 -50.96 63.11 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 119.526 -0.87 . . . . 0.0 108.721 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.487 ' HB1' ' CD1' ' A' ' 10' ' ' LEU . . . -68.19 -21.61 64.87 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.415 -0.803 . . . . 0.0 109.958 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.671 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -63.58 -70.41 0.22 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.159 -0.963 . . . . 0.0 110.631 -178.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.3 -32.83 72.22 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 118.671 -1.212 . . . . 0.0 110.285 -178.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -58.59 -35.68 72.79 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -63.63 -33.92 76.69 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 107.629 -1.249 . . . . 0.0 107.629 176.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' ALA . 0.3 OUTLIER -41.13 -33.28 0.33 Allowed 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 179.063 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.95 -78.76 0.17 Allowed 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 107.213 -1.402 . . . . 0.0 107.213 178.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.53 108.02 18.37 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -108.85 157.46 36.77 Favored Pre-proline 0 N--CA 1.493 1.693 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.441 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 95.6 Cg_exo -39.5 -41.89 2.52 Favored 'Trans proline' 0 N--CA 1.487 1.093 0 C-N-CA 121.515 1.476 . . . . 0.0 112.714 -179.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 45' ' ' PRO . 84.9 Cg_endo -105.31 2.63 0.24 Allowed 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 123.321 2.681 . . . . 0.0 110.899 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.509 ' C ' ' H ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER 66.6 129.46 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 -178.679 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.919 HD13 ' O ' ' A' ' 48' ' ' LEU . 2.7 tm? -66.97 0.87 2.22 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' A' ' 47' ' ' LYS . 15.9 mt-10 -141.64 84.66 1.91 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.126 -0.984 . . . . 0.0 109.15 177.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -94.38 -3.74 49.73 Favored 'General case' 0 N--CA 1.496 1.842 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.666 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -166.63 -76.45 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.666 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 5.1 m -171.64 60.03 0.29 Allowed Pre-proline 0 C--N 1.305 -1.339 0 O-C-N 121.329 -0.857 . . . . 0.0 109.24 177.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' A' ' 52' ' ' SER . 32.4 Cg_exo -60.09 -73.09 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.377 2.051 . . . . 0.0 110.929 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.482 ' O ' ' CB ' ' A' ' 55' ' ' SER . 10.0 m-20 -142.56 -82.09 0.2 Allowed 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 3.6 p 109.38 -46.88 0.0 OUTLIER Pre-proline 0 N--CA 1.505 2.28 0 C-N-CA 124.244 1.018 . . . . 0.0 109.173 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.419 ' HD3' ' OG ' ' A' ' 55' ' ' SER . 20.5 Cg_exo -66.29 -37.18 25.13 Favored 'Trans proline' 0 N--CA 1.489 1.232 0 CA-C-N 120.681 1.279 . . . . 0.0 109.156 176.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.656 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.3 OUTLIER -62.71 -53.56 52.61 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 179.292 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.526 ' C ' ' O ' ' A' ' 57' ' ' GLU . 23.0 ttp 17.52 -81.05 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.269 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.546 ' O ' ' N ' ' A' ' 62' ' ' ARG . 17.2 tptt -51.99 -39.15 58.94 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.463 -1.398 . . . . 0.0 108.237 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.656 ' N ' ' O ' ' A' ' 57' ' ' GLU . 0.7 OUTLIER -54.55 -36.23 64.08 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 105.547 -2.02 . . . . 0.0 105.547 177.314 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.615 ' CG ' HD23 ' A' ' 48' ' ' LEU . 5.8 t80 -55.24 -33.77 63.43 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 106.677 -1.601 . . . . 0.0 106.677 177.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.546 ' N ' ' O ' ' A' ' 59' ' ' LYS . 8.3 ttt180 -56.86 -33.66 67.03 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 176.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.461 ' N ' ' O ' ' A' ' 60' ' ' ASP . 12.9 t60 -53.36 -36.16 61.07 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -71.16 -46.08 45.4 Favored Glycine 0 N--CA 1.497 2.735 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -73.3 -41.04 64.04 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.429 -1.042 . . . . 0.0 108.715 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -50.31 -43.95 53.91 Favored 'General case' 0 C--N 1.295 -1.788 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -177.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.6 mm -63.04 -64.34 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.425 0 O-C-N 121.283 -0.885 . . . . 0.0 109.498 179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.3 pp -56.42 -40.9 75.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.0 -1.063 . . . . 0.0 109.868 -179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.52 ' CG1' HH12 ' A' ' 34' ' ' ARG . 63.6 t -66.5 -22.41 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.879 -1.138 . . . . 0.0 110.57 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.87 -48.15 35.48 Favored Glycine 0 N--CA 1.497 2.718 0 O-C-N 121.041 -1.037 . . . . 0.0 112.151 -177.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' A' ' 71' ' ' GLN . 1.8 pt20 -73.42 -28.05 61.78 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.609 -1.524 . . . . 0.0 110.298 -178.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 3.9 mm -59.49 -56.73 15.27 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 O-C-N 121.092 -1.005 . . . . 0.0 108.872 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.6 p30 -58.31 -31.85 67.9 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 12.1 t70 -63.55 -22.09 66.7 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.089 -1.632 . . . . 0.0 108.031 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.19 -33.03 65.18 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 106.041 -1.837 . . . . 0.0 106.041 176.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.551 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 8.6 tt -57.52 -35.69 70.6 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -64.87 -46.51 81.48 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.003 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 81' ' ' GLU . 6.2 mp -63.42 -57.06 11.49 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 121.714 -0.616 . . . . 0.0 109.718 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.98 -34.16 3.81 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.095 -1.003 . . . . 0.0 109.896 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.7 m120 -65.71 -28.23 68.91 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 178.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 78' ' ' LEU . 19.3 tt0 -88.24 13.68 10.98 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.547 -0.721 . . . . 0.0 109.471 179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.76 35.51 13.2 Favored Glycine 0 N--CA 1.498 2.794 0 O-C-N 121.218 -0.926 . . . . 0.0 111.93 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -101.25 66.38 1.11 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.816 -1.402 . . . . 0.0 110.683 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.1 t -64.98 -43.85 96.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 O-C-N 121.247 -0.908 . . . . 0.0 110.219 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.11 -49.75 22.51 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.137 -0.977 . . . . 0.0 110.233 -178.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -60.25 -42.98 96.45 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.502 -0.749 . . . . 0.0 109.886 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.15 -42.95 88.34 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.931 -1.105 . . . . 0.0 109.625 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.624 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 32.4 mt-30 -61.99 -41.02 97.58 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.99 -1.069 . . . . 0.0 108.254 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.5 97.89 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.34 -24.18 66.27 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.3 -43.26 95.29 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 178.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -64.38 -15.58 60.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.378 -0.826 . . . . 0.0 109.25 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.59 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -76.1 -42.22 47.86 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 179.14 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.5 HD23 HD21 ' A' ' 14' ' ' LEU . 56.7 tp -64.81 -42.9 94.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.258 -0.901 . . . . 0.0 109.181 178.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -54.73 -62.19 1.82 Allowed 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.059 -1.026 . . . . 0.0 108.893 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.09 -23.26 64.91 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.426 -0.796 . . . . 0.0 110.501 -179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.59 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 19.3 m -49.82 -57.95 6.35 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.496 -1.378 . . . . 0.0 108.114 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 2.5 mp -59.35 -56.51 16.64 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.56 0 O-C-N 121.959 -0.463 . . . . 0.0 110.515 179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -57.99 -46.73 84.74 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.572 -1.33 . . . . 0.0 111.386 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.489 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -61.31 -41.4 96.94 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.756 -1.215 . . . . 0.0 109.373 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.491 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.9 m-30 -66.28 -0.62 2.69 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.6 t30 85.48 69.1 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 105.651 -1.981 . . . . 0.0 105.651 -178.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.497 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.2 OUTLIER 46.19 54.57 8.17 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 -176.591 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.9 tptt 60.19 -70.16 0.03 OUTLIER 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 114.033 -1.44 . . . . 0.0 109.239 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.489 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -142.53 -12.29 0.79 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.482 -1.386 . . . . 0.0 109.696 178.312 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.416 ' OXT' ' O ' ' A' ' 105' ' ' TYR . . . . . . . . 0 N--CA 1.496 2.696 0 CA-C-O 118.075 -1.403 . . . . 0.0 110.41 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -78.9 170.78 16.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.287 -0.883 . . . . 0.0 109.772 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.425 ' O ' ' OD1' ' A' ' 6' ' ' ASN . 0.1 OUTLIER -54.69 -49.23 71.18 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.193 -0.942 . . . . 0.0 109.42 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -61.74 -22.5 65.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.387 -0.821 . . . . 0.0 110.396 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.03 -32.64 63.43 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.651 -1.281 . . . . 0.0 109.481 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -51.51 -45.17 62.78 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 106.628 -1.619 . . . . 0.0 106.628 178.039 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.506 ' N ' ' ND2' ' A' ' 6' ' ' ASN . 1.8 m95 -55.48 -40.04 71.16 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 178.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' OE2' ' OD2' ' A' ' 12' ' ' ASP . 4.6 tm-20 -61.03 -40.13 92.39 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.437 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.0 m -57.65 -54.25 48.95 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 178.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.592 HD12 ' HB1' ' A' ' 36' ' ' ALA . 7.6 mp -64.72 -29.36 70.34 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.605 0.717 . . . . 0.0 109.269 179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 7' ' ' TRP . 1.2 t-20 -60.15 -64.96 0.76 Allowed 'General case' 0 C--N 1.29 -2.004 0 O-C-N 120.567 -1.333 . . . . 0.0 109.85 -179.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.415 ' OD2' ' OE2' ' A' ' 8' ' ' GLU . 91.6 m-20 -54.33 -21.55 9.72 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.631 -179.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' ND2' ' O ' ' A' ' 9' ' ' THR . 10.8 m-80 -68.27 -61.35 1.88 Allowed 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 118.148 -1.421 . . . . 0.0 108.046 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 14' ' ' LEU . 4.2 mm? -55.25 -33.14 62.9 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.254 -0.904 . . . . 0.0 109.387 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -54.78 -55.36 30.88 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.58 -0.7 . . . . 0.0 110.887 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.618 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.1 t -63.79 -50.55 77.23 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 120.734 -1.229 . . . . 0.0 111.172 -178.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.73 -53.98 11.42 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.232 0 O-C-N 120.154 -1.591 . . . . 0.0 108.464 -178.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.13 -18.37 9.76 Favored 'General case' 0 C--N 1.302 -1.471 0 C-N-CA 119.475 -0.89 . . . . 0.0 108.763 179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 16' ' ' VAL . 22.3 mtpt -129.13 28.32 5.29 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.385 -0.822 . . . . 0.0 110.034 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.618 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.47 -17.99 64.35 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.096 -1.003 . . . . 0.0 110.966 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 68.74 -33.29 0.24 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.557 -0.715 . . . . 0.0 109.505 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.557 HD22 HE22 ' A' ' 25' ' ' GLN . 4.5 m-80 -153.23 149.51 28.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.17 -0.956 . . . . 0.0 109.775 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.613 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -52.69 -9.93 0.14 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.238 -0.914 . . . . 0.0 109.338 179.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.455 ' N ' ' C ' ' A' ' 22' ' ' ASN . . . -68.38 -61.6 1.77 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.006 -1.059 . . . . 0.0 110.183 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.557 HE22 HD22 ' A' ' 22' ' ' ASN . 1.4 mp0 -65.98 -11.32 46.87 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.871 -1.143 . . . . 0.0 110.042 -179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.525 HG23 ' CB ' ' A' ' 20' ' ' ALA . 18.2 t -69.89 -58.01 6.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 O-C-N 121.116 -0.99 . . . . 0.0 108.473 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' H ' ' HG2' ' A' ' 27' ' ' LYS . 14.1 ptmt -57.41 -33.61 68.05 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.285 -0.884 . . . . 0.0 109.837 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -63.08 -58.71 6.34 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.086 -1.009 . . . . 0.0 108.364 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.491 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -49.21 -45.04 43.78 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.073 0.463 . . . . 0.0 110.66 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.405 HD13 ' N ' ' A' ' 76' ' ' LEU . 18.6 mt -60.23 -35.33 75.21 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.069 -1.019 . . . . 0.0 110.335 -178.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 m -64.4 -30.51 71.55 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.523 -1.36 . . . . 0.0 107.997 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -73.26 -37.24 66.39 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.667 ' O ' ' N ' ' A' ' 37' ' ' ALA . 11.1 mtp -59.68 -40.63 88.47 Favored 'General case' 0 C--O 1.202 -1.434 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.67 -46.98 20.34 Favored 'General case' 0 N--CA 1.496 1.85 0 N-CA-C 107.77 -1.196 . . . . 0.0 107.77 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.98 -50.29 66.94 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.592 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -68.34 -18.17 64.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.336 -0.853 . . . . 0.0 109.411 179.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.667 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -65.28 -71.23 0.19 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.246 -0.909 . . . . 0.0 110.832 -178.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.431 HD21 HH21 ' A' ' 62' ' ' ARG . 5.4 mt -64.28 -23.52 67.33 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.064 -1.023 . . . . 0.0 109.563 -178.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -62.58 -35.81 80.71 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 106.023 -1.843 . . . . 0.0 106.023 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.665 ' HB1' ' CG2' ' A' ' 44' ' ' THR . . . -57.66 -39.72 77.68 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 177.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -48.3 -36.64 14.61 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 178.661 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.0 mttp -98.21 -1.26 42.46 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.67 -0.644 . . . . 0.0 112.323 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.42 90.06 0.71 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.344 -1.472 . . . . 0.0 109.413 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.665 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 0.7 OUTLIER -141.01 160.53 57.79 Favored Pre-proline 0 C--N 1.301 -1.526 0 O-C-N 121.468 -0.77 . . . . 0.0 108.949 -179.131 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.484 ' CG ' ' HE1' ' A' ' 7' ' ' TRP . 18.0 Cg_exo -32.24 -40.39 0.1 Allowed 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 122.631 2.22 . . . . 0.0 114.833 -178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.532 ' O ' ' N ' ' A' ' 48' ' ' LEU . 57.5 Cg_endo -103.23 -0.71 0.33 Allowed 'Trans proline' 0 C--N 1.319 -0.975 0 C-N-CA 122.742 2.295 . . . . 0.0 113.271 -179.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' O ' ' O ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER 34.25 30.74 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.94 -0.475 . . . . 0.0 110.453 -179.44 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 46' ' ' PRO . 2.1 tm? 52.46 94.94 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 59.69 -165.69 0.19 Allowed 'General case' 0 N--CA 1.491 1.623 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 -176.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' A' ' 50' ' ' ASP . 25.0 t70 -146.54 49.79 1.15 Allowed 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.612 -1.305 . . . . 0.0 109.676 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.534 ' O ' ' CB ' ' A' ' 52' ' ' SER . 23.0 pttt -164.55 -19.74 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.878 -1.139 . . . . 0.0 110.777 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER 85.22 76.13 0.07 OUTLIER Pre-proline 0 N--CA 1.496 1.863 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 -178.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -52.36 -82.13 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.566 1.511 . . . . 0.0 111.557 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.539 ' O ' ' CB ' ' A' ' 55' ' ' SER . 80.4 m-20 -111.92 -43.83 3.54 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.539 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 55.1 p 113.49 -42.91 0.0 OUTLIER Pre-proline 0 N--CA 1.508 2.425 0 C-N-CA 123.867 0.867 . . . . 0.0 111.727 178.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -75.51 -33.56 4.02 Favored 'Trans proline' 0 N--CA 1.489 1.229 0 CA-C-N 121.464 1.559 . . . . 0.0 109.498 177.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -61.96 -14.15 32.16 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.866 0.841 . . . . 0.0 108.913 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 32.6 ttp -63.75 -35.21 79.83 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.152 -0.968 . . . . 0.0 108.595 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 62' ' ' ARG . 1.7 tptp -56.05 -34.43 65.9 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 63' ' ' HIS . 15.2 t70 -54.07 -44.83 71.46 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 178.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.408 ' CD1' HD23 ' A' ' 48' ' ' LEU . 5.3 t80 -55.85 -32.54 63.71 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 177.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 59' ' ' LYS . 17.5 ttt180 -57.7 -35.67 70.94 Favored 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 176.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.4 ' N ' ' O ' ' A' ' 60' ' ' ASP . 27.4 t60 -50.98 -40.65 58.4 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.72 -44.24 81.73 Favored Glycine 0 N--CA 1.497 2.757 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.528 ' CZ ' HG21 ' A' ' 44' ' ' THR . 29.6 m-85 -70.72 -44.88 65.97 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 107.634 -1.247 . . . . 0.0 107.634 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.433 ' C ' ' O ' ' A' ' 65' ' ' PHE . 66.7 t0 -37.86 -44.09 0.73 Allowed 'General case' 0 C--N 1.301 -1.531 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.615 -178.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mt -68.59 -62.08 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 O-C-N 121.445 -0.784 . . . . 0.0 110.038 179.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.7 pp -58.08 -47.16 84.04 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.001 -1.062 . . . . 0.0 111.14 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' ' 72' ' ' ILE . 9.2 m -62.07 -21.25 25.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 120.187 -1.571 . . . . 0.0 109.626 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.75 -41.92 88.0 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.23 -24.81 60.54 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.07 -1.253 . . . . 0.0 110.33 -179.53 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 69' ' ' VAL . 79.4 mt -60.42 -57.81 10.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 120.75 -1.219 . . . . 0.0 107.778 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 76' ' ' LEU . 2.8 p30 -61.33 -37.44 83.27 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.769 -0.582 . . . . 0.0 109.653 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -59.65 -22.17 61.53 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 120.085 -1.634 . . . . 0.0 108.109 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.28 -33.57 69.86 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.507 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 5.8 tt -59.61 -39.96 85.98 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 177.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -63.37 -45.38 91.43 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 122.119 0.961 . . . . 0.0 109.895 179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.4 mp -64.63 -54.61 29.16 Favored 'General case' 0 C--N 1.291 -1.952 0 O-C-N 121.829 -0.545 . . . . 0.0 109.978 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.08 -41.25 11.98 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.051 -1.031 . . . . 0.0 109.522 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 0.7 OUTLIER -62.63 -26.45 68.63 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.953 -1.092 . . . . 0.0 108.316 178.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' A' ' 78' ' ' LEU . 46.0 tt0 -86.41 7.44 25.76 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.01 34.29 8.99 Favored Glycine 0 N--CA 1.495 2.595 0 O-C-N 121.116 -0.99 . . . . 0.0 111.333 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 19.5 mmtp -95.39 72.08 3.22 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.78 -1.424 . . . . 0.0 109.342 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.613 HG22 ' HB2' ' A' ' 23' ' ' ALA . 59.2 t -62.57 -59.58 4.12 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.956 0 CA-C-O 121.307 0.575 . . . . 0.0 110.166 179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.16 -49.03 25.46 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.416 -0.802 . . . . 0.0 110.472 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -53.69 -44.02 69.42 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.593 -0.692 . . . . 0.0 109.812 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.45 -46.94 83.96 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.906 -1.122 . . . . 0.0 109.664 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.739 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 31.2 mt-30 -62.95 -43.81 97.78 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.128 -0.983 . . . . 0.0 108.816 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.25 -41.4 98.41 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.192 -0.942 . . . . 0.0 108.911 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.19 -25.52 67.09 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.739 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -62.72 -46.87 86.08 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -63.16 -12.86 30.89 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.486 -0.758 . . . . 0.0 109.013 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.594 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.39 -42.26 59.56 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 178.684 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.465 ' N ' ' HG3' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -70.21 -35.77 74.11 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 119.718 -0.793 . . . . 0.0 109.317 179.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -56.25 -64.83 0.73 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.768 -1.208 . . . . 0.0 108.352 178.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.6 m -66.84 -20.97 66.03 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.292 -0.88 . . . . 0.0 110.454 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.594 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 18.6 m -50.12 -55.98 12.79 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.472 -1.392 . . . . 0.0 107.92 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.463 HG23 ' HB2' ' A' ' 104' ' ' LYS . 1.4 mp -58.19 -56.03 18.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -58.05 -50.37 73.68 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 120.53 -1.356 . . . . 0.0 111.033 -178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.09 -32.83 73.42 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.029 -1.045 . . . . 0.0 110.148 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.506 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.5 m-30 -70.24 -1.74 11.22 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.506 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.7 t30 89.62 63.97 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 105.058 -2.201 . . . . 0.0 105.058 -176.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.543 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.1 OUTLIER 47.76 54.4 9.93 Favored 'General case' 0 C--N 1.312 -1.026 0 N-CA-C 106.97 -1.493 . . . . 0.0 106.97 -176.533 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.463 ' HB2' HG23 ' A' ' 98' ' ' ILE . 14.5 tptp 60.61 -84.63 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.365 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.88 11.32 1.6 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.599 -1.313 . . . . 0.0 109.054 -179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 CA-C-O 117.942 -1.477 . . . . 0.0 109.591 -179.836 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 2' ' ' ASP . . . . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 1' ' ' ALA . 23.1 t70 51.47 166.4 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 122.322 1.058 . . . . 0.0 111.58 179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.437 ' N ' ' CG ' ' A' ' 2' ' ' ASP . 2.0 mm? -58.18 -24.8 60.3 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.956 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -55.84 -16.69 4.87 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.879 -1.138 . . . . 0.0 109.191 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 8' ' ' GLU . 5.6 t70 -77.26 -42.56 36.62 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.253 -0.904 . . . . 0.0 109.952 -179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.659 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -50.2 -40.79 48.25 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 178.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.659 ' N ' HD22 ' A' ' 6' ' ' ASN . 2.6 m95 -58.8 -37.35 76.16 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 177.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 5' ' ' ASP . 39.1 tt0 -60.34 -41.68 94.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.531 -0.731 . . . . 0.0 109.449 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.471 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 5.1 m -57.12 -52.04 66.88 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.451 HD12 ' HB1' ' A' ' 36' ' ' ALA . 5.7 mp -64.13 -28.13 69.56 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.613 0.721 . . . . 0.0 109.151 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -65.62 0.66 Allowed 'General case' 0 C--N 1.293 -1.875 0 O-C-N 120.847 -1.158 . . . . 0.0 110.104 -178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -54.38 -21.22 9.0 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.471 ' ND2' ' O ' ' A' ' 9' ' ' THR . 17.9 m-80 -68.4 -64.12 0.93 Allowed 'General case' 0 C--N 1.297 -1.707 0 C-N-CA 117.723 -1.591 . . . . 0.0 107.811 -179.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.624 HD13 ' HB1' ' A' ' 91' ' ' ALA . 4.1 mm? -52.34 -31.27 32.6 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.341 -0.85 . . . . 0.0 108.971 178.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -58.5 -48.98 79.03 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.504 -0.747 . . . . 0.0 109.616 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.608 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.3 t -69.18 -57.69 7.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 120.815 -1.178 . . . . 0.0 111.002 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -49.93 -45.13 22.08 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 O-C-N 120.045 -1.66 . . . . 0.0 108.172 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.464 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 5.1 mm-40 -58.84 -27.16 64.85 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 177.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 16' ' ' VAL . 11.6 mtpp -127.28 36.22 4.44 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.709 -0.619 . . . . 0.0 109.614 -178.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.608 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -62.81 -27.67 69.47 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.105 -0.997 . . . . 0.0 110.605 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 19' ' ' LYS . 0.8 OUTLIER 71.59 -33.8 0.28 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.382 -0.824 . . . . 0.0 109.377 -178.77 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.687 HD22 ' NE2' ' A' ' 25' ' ' GLN . 2.6 m-80 -153.5 154.36 34.21 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.212 -0.93 . . . . 0.0 109.658 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.64 -21.95 7.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.199 -0.938 . . . . 0.0 109.823 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.93 -49.13 71.59 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.133 -0.98 . . . . 0.0 109.957 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.687 ' NE2' HD22 ' A' ' 22' ' ' ASN . 16.3 mp0 -72.69 -14.7 61.63 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.505 -1.372 . . . . 0.0 110.351 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.494 HG23 ' CB ' ' A' ' 20' ' ' ALA . 8.3 t -69.49 -57.08 9.44 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.34 0 O-C-N 120.903 -1.123 . . . . 0.0 108.457 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.625 ' NZ ' HD22 ' A' ' 80' ' ' ASN . 0.0 OUTLIER -58.85 -29.73 67.16 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.385 -0.822 . . . . 0.0 109.603 -179.734 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.36 -62.06 2.14 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.001 -1.062 . . . . 0.0 108.789 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.477 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -54.84 -40.77 69.94 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.632 -0.667 . . . . 0.0 110.681 -179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.484 HD23 ' SD ' ' A' ' 33' ' ' MET . 17.1 mt -61.78 -34.27 75.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.489 -1.382 . . . . 0.0 109.984 -179.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.8 m -65.44 -33.21 75.4 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 120.795 -1.19 . . . . 0.0 108.662 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.411 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 5.2 mmtt -73.51 -35.42 65.59 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.652 ' O ' ' N ' ' A' ' 37' ' ' ALA . 1.5 mtp -57.32 -43.02 82.93 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.567 HH12 ' CG1' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -48.39 -48.65 36.72 Favored 'General case' 0 N--CA 1.495 1.823 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 178.794 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -56.22 14.1 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 119.893 -0.723 . . . . 0.0 109.347 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.451 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -65.7 -19.94 66.09 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.384 -0.822 . . . . 0.0 110.067 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.652 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.61 -73.57 0.13 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.056 -1.028 . . . . 0.0 110.633 -178.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.427 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 12.3 mt -61.53 -21.85 64.62 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.276 -0.97 . . . . 0.0 109.415 -178.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -59.98 -40.46 89.21 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.657 ' HB1' ' CG2' ' A' ' 44' ' ' THR . . . -60.79 -31.51 70.88 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 177.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.543 HE22 ' CE ' ' A' ' 58' ' ' MET . 0.4 OUTLIER -46.0 -32.67 2.9 Favored 'General case' 0 N--CA 1.503 2.219 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 178.456 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.9 mtmt -112.58 17.83 18.87 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.483 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -168.66 87.83 0.2 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.549 -1.344 . . . . 0.0 108.895 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.657 ' CG2' ' HB1' ' A' ' 40' ' ' ALA . 1.2 p -138.93 160.11 64.24 Favored Pre-proline 0 N--CA 1.493 1.704 0 O-C-N 121.356 -0.84 . . . . 0.0 110.286 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -33.74 -41.01 0.18 Allowed 'Trans proline' 0 C--N 1.317 -1.112 0 C-N-CA 122.545 2.163 . . . . 0.0 113.681 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' LEU . 14.0 Cg_endo -98.5 3.92 1.2 Allowed 'Trans proline' 0 C--N 1.319 -1.001 0 C-N-CA 122.763 2.309 . . . . 0.0 111.76 179.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.57 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 37.98 25.96 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.996 -0.44 . . . . 0.0 109.858 -179.191 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.723 HD23 ' CD1' ' A' ' 61' ' ' PHE . 2.8 tm? 39.82 -89.32 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 47' ' ' LYS . 2.2 pt-20 -72.37 110.14 6.58 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 120.805 -1.184 . . . . 0.0 108.137 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 3.5 p-10 -91.86 0.41 57.48 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.296 -0.878 . . . . 0.0 108.645 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.691 ' CG ' ' H ' ' A' ' 52' ' ' SER . 8.6 pttp -164.93 -70.74 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.413 -0.804 . . . . 0.0 109.648 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.691 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 3.7 m -177.26 70.46 0.23 Allowed Pre-proline 0 C--N 1.309 -1.185 0 O-C-N 121.033 -1.042 . . . . 0.0 109.371 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -64.41 -78.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 121.886 1.724 . . . . 0.0 111.32 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.545 ' O ' ' CB ' ' A' ' 55' ' ' SER . 1.8 m-20 -132.47 -54.33 0.95 Allowed 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.545 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 53.4 p 112.94 -44.7 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.524 0 C-N-CA 123.691 0.797 . . . . 0.0 112.05 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -78.21 -38.35 0.61 Allowed 'Trans proline' 0 N--CA 1.49 1.305 0 CA-C-N 121.858 1.699 . . . . 0.0 109.606 177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -58.96 -8.5 1.42 Allowed 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.543 ' CE ' HE22 ' A' ' 41' ' ' GLN . 18.4 ttt -65.64 -51.23 61.16 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.14 -0.975 . . . . 0.0 109.156 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.5 tptt -53.01 -31.86 43.4 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 120.484 -1.385 . . . . 0.0 107.986 179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 63' ' ' HIS . 6.2 t70 -56.75 -38.32 72.27 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.723 ' CD1' HD23 ' A' ' 48' ' ' LEU . 30.3 t80 -53.43 -35.51 60.54 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 177.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.601 ' O ' ' N ' ' A' ' 66' ' ' ASP . 14.4 ttt180 -56.4 -36.02 68.44 Favored 'General case' 0 C--O 1.204 -1.334 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 176.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 60' ' ' ASP . 7.1 t60 -50.46 -45.14 55.94 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.51 -48.05 59.2 Favored Glycine 0 N--CA 1.498 2.797 0 N-CA-C 109.099 -1.6 . . . . 0.0 109.099 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CZ ' HG21 ' A' ' 44' ' ' THR . 0.8 OUTLIER -67.26 -32.82 74.1 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.489 -1.006 . . . . 0.0 109.028 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.601 ' N ' ' O ' ' A' ' 62' ' ' ARG . 37.0 t70 -55.63 -39.95 71.51 Favored 'General case' 0 C--N 1.29 -2.01 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 -178.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 mt -66.24 -64.32 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.374 -0.829 . . . . 0.0 109.905 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.3 pp -54.19 -44.78 71.86 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.263 -0.898 . . . . 0.0 109.92 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.567 ' CG1' HH12 ' A' ' 34' ' ' ARG . 84.8 t -67.73 -19.38 24.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 120.65 -1.281 . . . . 0.0 110.457 178.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.23 -49.49 32.69 Favored Glycine 0 N--CA 1.494 2.561 0 C-N-CA 120.217 -0.992 . . . . 0.0 111.061 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.08 -25.24 62.53 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.925 -1.338 . . . . 0.0 110.101 -179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.039 HD11 HD13 ' A' ' 94' ' ' LEU . 59.9 mt -61.84 -57.74 10.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 120.932 -1.105 . . . . 0.0 108.165 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.3 p30 -60.01 -37.53 79.97 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.401 -0.812 . . . . 0.0 109.037 179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.522 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 61.4 t0 -59.76 -20.31 55.81 Favored 'General case' 0 C--N 1.301 -1.519 0 C-N-CA 117.513 -1.675 . . . . 0.0 107.753 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 72' ' ' ILE . . . -71.83 -35.35 69.86 Favored 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 105.541 -2.022 . . . . 0.0 105.541 176.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.521 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.4 tt -58.59 -42.36 87.9 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 177.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -61.87 -48.1 82.02 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 122.4 1.095 . . . . 0.0 109.96 179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.592 ' O ' ' N ' ' A' ' 81' ' ' GLU . 6.3 mp -62.64 -58.55 7.13 Favored 'General case' 0 C--N 1.29 -1.98 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.508 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.95 -34.1 1.58 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.083 -1.011 . . . . 0.0 110.043 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.625 HD22 ' NZ ' ' A' ' 27' ' ' LYS . 1.8 m120 -66.3 -28.36 68.63 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.592 ' N ' ' O ' ' A' ' 78' ' ' LEU . 33.8 tt0 -85.71 3.29 41.81 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 178.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.41 39.65 6.28 Favored Glycine 0 N--CA 1.496 2.638 0 O-C-N 121.267 -0.896 . . . . 0.0 111.247 178.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -100.3 62.12 1.08 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.964 -1.315 . . . . 0.0 109.437 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.23 -41.36 86.61 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 O-C-N 121.5 -0.75 . . . . 0.0 110.499 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.22 -50.23 20.0 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.025 -1.047 . . . . 0.0 110.279 -179.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.77 -40.76 97.46 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.72 -0.612 . . . . 0.0 110.277 -178.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.09 -47.9 82.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.003 -1.06 . . . . 0.0 109.87 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.406 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 23.4 mt-30 -64.0 -48.22 77.26 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.954 -1.091 . . . . 0.0 109.181 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.56 -41.75 90.86 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.112 -0.993 . . . . 0.0 108.914 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.463 ' O ' ' CG ' ' A' ' 93' ' ' GLN . . . -60.55 -39.59 88.46 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.624 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -55.95 -43.0 77.04 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 120.989 -1.069 . . . . 0.0 108.155 178.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -62.09 -12.71 20.71 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.268 -0.895 . . . . 0.0 109.489 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.615 ' C ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -76.61 -32.06 57.82 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 178.409 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.039 HD13 HD11 ' A' ' 72' ' ' ILE . 35.9 tp -66.29 -46.91 75.36 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 119.716 -0.794 . . . . 0.0 109.081 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.428 ' HD2' HD12 ' A' ' 14' ' ' LEU . 13.1 mtpt -53.84 -66.29 0.42 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.162 -0.962 . . . . 0.0 109.769 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 m -65.0 -30.75 71.76 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.146 -0.971 . . . . 0.0 110.936 -179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.563 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.5 m -49.42 -57.41 7.01 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.658 -1.276 . . . . 0.0 108.901 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.53 -54.49 18.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 O-C-N 121.204 -0.935 . . . . 0.0 109.335 179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.85 -50.47 73.85 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 120.652 -1.28 . . . . 0.0 110.641 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.19 -29.16 70.18 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.0 -1.063 . . . . 0.0 109.646 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.5 m-30 -73.04 -3.65 27.53 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.1 t30 88.19 65.35 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.825 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 -176.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.529 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.2 OUTLIER 47.29 54.9 8.86 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 106.768 -1.567 . . . . 0.0 106.768 -176.387 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.6 tptt 59.0 -84.49 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.231 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.72 15.98 1.11 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.398 -1.439 . . . . 0.0 108.851 179.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.124 0 CA-C-O 118.045 -1.42 . . . . 0.0 109.647 -179.31 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.555 0.693 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -75.34 -177.83 3.72 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.73 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -51.98 92.43 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.047 -1.033 . . . . 0.0 108.579 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 2' ' ' ASP . 9.7 pt-20 -173.72 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 106.573 -1.639 . . . . 0.0 106.573 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.75 -24.37 52.99 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.693 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -58.45 -43.45 88.82 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 105.088 -2.189 . . . . 0.0 105.088 177.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.693 ' N ' HD22 ' A' ' 6' ' ' ASN . 2.9 m95 -58.48 -38.28 77.27 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -60.68 -46.01 91.98 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.476 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 m -55.08 -52.31 63.61 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.611 HD22 ' HB1' ' A' ' 36' ' ' ALA . 4.3 mm? -64.21 -34.46 78.14 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -55.34 -64.01 0.98 Allowed 'General case' 0 C--N 1.292 -1.93 0 O-C-N 120.678 -1.264 . . . . 0.0 109.609 -179.22 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -54.51 -21.88 11.37 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.894 -0.504 . . . . 0.0 109.832 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -67.77 -55.91 11.24 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 117.41 -1.716 . . . . 0.0 108.019 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.6 mm? -58.71 -31.25 68.09 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.977 0.894 . . . . 0.0 109.106 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -58.84 -53.96 52.46 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.816 -0.553 . . . . 0.0 110.916 -178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.582 ' O ' ' N ' ' A' ' 20' ' ' ALA . 4.8 t -66.87 -52.54 43.46 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.697 0 O-C-N 120.597 -1.314 . . . . 0.0 111.797 -178.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -45.81 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.343 0 O-C-N 119.945 -1.722 . . . . 0.0 107.887 -179.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 5.3 mm-40 -60.97 -26.22 67.39 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -124.42 36.18 4.66 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.582 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -62.18 -33.44 74.54 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.679 -0.638 . . . . 0.0 111.041 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 1.7 m-20 72.11 -32.25 0.24 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.46 -0.775 . . . . 0.0 109.28 -178.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.511 ' H ' ' C ' ' A' ' 20' ' ' ALA . 1.5 m-80 -152.74 149.04 27.95 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.213 -0.929 . . . . 0.0 109.555 179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.7 -17.18 2.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.287 -0.883 . . . . 0.0 109.212 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.56 -56.64 7.63 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.065 -1.022 . . . . 0.0 109.905 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.488 ' CD ' HD22 ' A' ' 22' ' ' ASN . 1.8 mp0 -65.1 -10.85 33.87 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.929 -1.107 . . . . 0.0 110.413 -179.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.455 HG23 ' CB ' ' A' ' 20' ' ' ALA . 13.8 t -71.31 -51.15 36.13 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 178.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -55.54 -38.45 69.31 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.793 0.806 . . . . 0.0 109.281 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -57.44 -61.51 2.44 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.89 -46.53 71.42 Favored 'General case' 0 C--N 1.295 -1.765 0 C-N-CA 119.827 -0.749 . . . . 0.0 110.659 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.52 -30.64 69.86 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 120.891 -1.131 . . . . 0.0 110.025 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 m -68.18 -34.22 75.9 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.461 -1.399 . . . . 0.0 108.357 178.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -71.45 -34.79 70.57 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.717 ' O ' ' N ' ' A' ' 37' ' ' ALA . 16.8 mtt -57.01 -47.74 80.12 Favored 'General case' 0 C--O 1.199 -1.571 0 N-CA-C 107.494 -1.298 . . . . 0.0 107.494 178.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.404 ' NH2' ' O ' ' A' ' 69' ' ' VAL . 0.0 OUTLIER -44.61 -49.8 10.05 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.056 -1.027 . . . . 0.0 108.535 179.269 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.69 -57.88 5.04 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.977 -0.689 . . . . 0.0 109.426 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.611 ' HB1' HD22 ' A' ' 10' ' ' LEU . . . -62.27 -25.62 67.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.337 -0.852 . . . . 0.0 110.005 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.717 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -64.94 -69.45 0.29 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.195 -0.941 . . . . 0.0 110.322 -179.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.439 HD22 ' NE ' ' A' ' 62' ' ' ARG . 19.5 mt -63.38 -21.1 66.08 Favored 'General case' 0 C--N 1.303 -1.453 0 C-N-CA 118.972 -1.091 . . . . 0.0 109.151 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -63.69 -39.88 95.4 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 106.025 -1.843 . . . . 0.0 106.025 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.93 -32.04 67.4 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.416 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -50.4 -37.93 40.23 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 107.162 -1.422 . . . . 0.0 107.162 177.707 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -100.02 9.24 43.2 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.385 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.79 75.68 0.22 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.449 HG23 ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -116.51 154.6 49.1 Favored Pre-proline 0 N--CA 1.494 1.748 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 -178.517 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.456 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 31.9 Cg_exo -33.67 -40.9 0.17 Allowed 'Trans proline' 0 N--CA 1.487 1.124 0 C-N-CA 122.345 2.03 . . . . 0.0 113.785 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.522 ' O ' ' N ' ' A' ' 48' ' ' LEU . 12.0 Cg_endo -97.5 8.74 1.25 Allowed 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.962 2.441 . . . . 0.0 111.731 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.579 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 41.28 22.85 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.663 -0.648 . . . . 0.0 109.316 -178.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.679 HD13 ' N ' ' A' ' 49' ' ' GLU . 3.4 tm? 45.69 -89.64 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.679 ' N ' HD13 ' A' ' 48' ' ' LEU . 1.6 pt-20 -64.95 106.27 1.2 Allowed 'General case' 0 C--N 1.303 -1.454 0 O-C-N 120.962 -1.086 . . . . 0.0 108.696 178.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.462 ' OD1' ' NZ ' ' A' ' 47' ' ' LYS . 20.6 t70 -92.99 1.75 57.15 Favored 'General case' 0 N--CA 1.49 1.566 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.62 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -166.1 -78.71 0.03 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -179.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.62 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 14.3 m -172.32 71.54 0.44 Allowed Pre-proline 0 C--N 1.307 -1.27 0 O-C-N 121.258 -0.901 . . . . 0.0 109.109 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -66.92 -73.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.736 2.291 . . . . 0.0 110.907 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.491 ' O ' ' HB3' ' A' ' 55' ' ' SER . 24.0 m-20 -136.69 -50.45 0.66 Allowed 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.491 ' HB3' ' O ' ' A' ' 54' ' ' ASP . 0.0 OUTLIER 99.3 -59.94 0.0 OUTLIER Pre-proline 0 N--CA 1.512 2.661 0 C-N-CA 125.368 1.467 . . . . 0.0 110.243 179.6 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.485 ' C ' ' H ' ' A' ' 58' ' ' MET . 27.8 Cg_exo -62.77 -51.1 3.32 Favored 'Trans proline' 0 N--CA 1.495 1.599 0 CA-C-N 121.311 1.504 . . . . 0.0 110.743 177.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.73 -2.9 0.09 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.682 -0.636 . . . . 0.0 109.438 179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.485 ' H ' ' C ' ' A' ' 56' ' ' PRO . 23.7 ttt -61.93 -41.21 97.69 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 120.954 -1.091 . . . . 0.0 108.744 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' ' 62' ' ' ARG . 0.4 OUTLIER -56.48 -33.98 66.48 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.542 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 63' ' ' HIS . 9.6 t70 -53.56 -38.52 63.96 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 107.119 -1.438 . . . . 0.0 107.119 178.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.573 ' CD1' HD23 ' A' ' 48' ' ' LEU . 6.6 t80 -54.62 -33.67 60.87 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 106.638 -1.616 . . . . 0.0 106.638 177.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.581 ' O ' ' N ' ' A' ' 66' ' ' ASP . 23.2 ttt180 -54.77 -38.33 67.1 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 106.997 -1.482 . . . . 0.0 106.997 176.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 60' ' ' ASP . 8.7 t60 -51.79 -36.34 47.28 Favored 'General case' 0 C--N 1.305 -1.366 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.24 -48.51 38.12 Favored Glycine 0 N--CA 1.502 3.035 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.608 ' O ' HG22 ' A' ' 69' ' ' VAL . 3.0 m-85 -68.06 -37.63 81.53 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.581 ' N ' ' O ' ' A' ' 62' ' ' ARG . 19.5 t70 -46.12 -40.52 11.1 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -178.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.4 mt -65.94 -65.19 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.591 -0.693 . . . . 0.0 109.827 179.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 69' ' ' VAL . 2.4 pp -56.24 -50.55 71.0 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.241 -0.912 . . . . 0.0 110.88 -178.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 65' ' ' PHE . 5.9 m -63.72 -17.25 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 O-C-N 120.331 -1.481 . . . . 0.0 110.308 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.46 -53.94 18.5 Favored Glycine 0 N--CA 1.497 2.75 0 O-C-N 121.244 -0.91 . . . . 0.0 110.925 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.68 -19.28 64.38 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 120.695 -1.473 . . . . 0.0 109.425 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 1.043 HD11 HD13 ' A' ' 94' ' ' LEU . 6.6 mt -60.96 -63.02 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.8 p30 -55.74 -34.61 65.32 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 64.2 t0 -58.31 -20.67 44.9 Favored 'General case' 0 C--N 1.3 -1.563 0 C-N-CA 117.776 -1.569 . . . . 0.0 107.73 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.33 -36.04 68.74 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 105.463 -2.051 . . . . 0.0 105.463 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 73' ' ' ASP . 6.4 tt -58.36 -41.81 85.55 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 106.822 -1.547 . . . . 0.0 106.822 177.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -60.97 -47.26 87.26 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-O 122.636 1.207 . . . . 0.0 109.436 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.574 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.5 mp -64.56 -57.84 8.02 Favored 'General case' 0 C--N 1.287 -2.152 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.621 -179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.66 -35.47 2.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.212 -0.93 . . . . 0.0 110.082 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.6 m120 -65.26 -29.65 70.45 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.742 -1.223 . . . . 0.0 107.849 178.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.574 ' N ' ' O ' ' A' ' 78' ' ' LEU . 29.1 tt0 -84.78 3.5 37.3 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.77 41.77 5.9 Favored Glycine 0 N--CA 1.498 2.812 0 O-C-N 121.199 -0.938 . . . . 0.0 111.346 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -99.02 64.56 1.41 Allowed 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.954 -1.321 . . . . 0.0 109.182 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.9 t -60.93 -47.36 93.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.801 0 O-C-N 121.772 -0.58 . . . . 0.0 110.693 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.456 ' H ' ' HG2' ' A' ' 85' ' ' LYS . 11.4 ptmt -76.02 -50.98 13.32 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.024 -1.048 . . . . 0.0 110.27 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.86 -42.64 99.3 Favored 'General case' 0 C--N 1.286 -2.175 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.282 -178.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.66 -46.7 86.98 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.853 -1.155 . . . . 0.0 109.384 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.671 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 24.6 mt-30 -64.44 -40.96 96.74 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.096 -1.003 . . . . 0.0 109.104 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.46 84.11 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.944 -1.098 . . . . 0.0 108.316 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.74 -24.46 65.73 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.671 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -61.64 -51.0 70.29 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.533 -0.729 . . . . 0.0 109.151 179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 88' ' ' GLN . 1.8 mp0 -59.93 -14.11 14.19 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.018 -1.051 . . . . 0.0 109.262 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.606 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -73.05 -40.71 64.86 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.207 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 1.043 HD13 HD11 ' A' ' 72' ' ' ILE . 20.5 tp -67.67 -39.78 84.47 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.864 -1.148 . . . . 0.0 109.898 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -54.46 -73.45 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.155 -0.966 . . . . 0.0 110.768 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.0 m -65.9 -17.77 64.88 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.682 -1.261 . . . . 0.0 110.755 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.606 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.3 m -50.43 -60.57 2.87 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.568 -1.332 . . . . 0.0 107.61 179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.3 mp -55.14 -48.65 75.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.47 -0.769 . . . . 0.0 108.984 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 6.8 ttp85 -61.69 -49.64 75.69 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.521 -1.362 . . . . 0.0 110.712 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.45 -30.86 71.89 Favored 'General case' 0 N--CA 1.501 2.123 0 O-C-N 120.894 -1.129 . . . . 0.0 110.504 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.6 m-30 -70.41 -1.89 12.07 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.2 t30 89.82 61.77 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.94 0 N-CA-C 104.553 -2.388 . . . . 0.0 104.553 -176.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.52 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.1 OUTLIER 46.27 55.47 7.29 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.549 -1.649 . . . . 0.0 106.549 -175.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 98' ' ' ILE . 36.9 tptt 59.46 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.467 0 CA-C-N 114.148 -1.387 . . . . 0.0 109.352 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -144.26 18.76 1.73 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.575 -1.328 . . . . 0.0 108.161 179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.141 0 CA-C-O 117.969 -1.462 . . . . 0.0 109.613 -179.217 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 3' ' ' LEU . 45.9 t0 -79.49 177.89 8.53 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.198 -0.939 . . . . 0.0 110.168 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.491 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 3.4 mm? -51.01 -51.3 54.42 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.4 pm0 -60.3 -30.68 69.64 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.208 -0.933 . . . . 0.0 110.013 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 5' ' ' ASP . 62.4 t0 -74.61 -35.84 62.96 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.906 -1.121 . . . . 0.0 109.825 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.634 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -51.84 -41.66 61.98 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 178.482 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.634 ' N ' HD22 ' A' ' 6' ' ' ASN . 2.8 m95 -58.79 -39.88 82.36 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 177.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.45 -45.96 90.13 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 m -56.29 -52.46 64.43 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.7 mp -65.26 -25.71 67.78 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 121.553 0.692 . . . . 0.0 109.355 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.502 ' N ' ' O ' ' A' ' 7' ' ' TRP . 1.4 t-20 -64.14 -66.12 0.59 Allowed 'General case' 0 C--N 1.292 -1.928 0 O-C-N 120.847 -1.158 . . . . 0.0 109.988 -179.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -53.45 -20.56 4.86 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.553 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -64.03 -59.52 4.37 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 118.069 -1.452 . . . . 0.0 108.281 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.668 HD21 HD23 ' A' ' 94' ' ' LEU . 3.1 mm? -58.57 -34.62 71.26 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.475 -0.765 . . . . 0.0 109.279 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.2 ttpp -56.04 -46.73 78.77 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.691 -0.63 . . . . 0.0 110.322 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.633 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.8 t -68.84 -58.36 6.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 120.768 -1.208 . . . . 0.0 111.048 -178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -48.3 -46.48 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 120.256 -1.527 . . . . 0.0 108.211 -179.184 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' OE2' ' NZ ' ' A' ' 95' ' ' LYS . 1.5 mm-40 -58.93 -30.34 67.78 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' A' ' 16' ' ' VAL . 15.6 mtpp -127.18 38.9 4.0 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.53 -0.731 . . . . 0.0 110.081 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.633 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.95 -22.04 66.93 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.256 -0.903 . . . . 0.0 110.371 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 69.19 -34.38 0.27 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.43 -0.794 . . . . 0.0 109.19 -178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.833 HD22 HE22 ' A' ' 25' ' ' GLN . 6.9 m-80 -152.86 149.79 28.65 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.35 -0.844 . . . . 0.0 109.44 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.3 -15.72 0.42 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.913 . . . . 0.0 109.688 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.55 -54.85 16.42 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.9 -1.125 . . . . 0.0 110.478 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.833 HE22 HD22 ' A' ' 22' ' ' ASN . 2.2 mt-30 -65.03 -15.73 62.65 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.844 -1.16 . . . . 0.0 110.114 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.547 HG23 ' CB ' ' A' ' 20' ' ' ALA . 11.1 t -69.93 -49.92 52.71 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 107.416 -1.327 . . . . 0.0 107.416 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -54.58 -38.41 66.68 Favored 'General case' 0 N--CA 1.489 1.516 0 CA-C-O 121.831 0.824 . . . . 0.0 109.505 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.88 -64.4 0.9 Allowed 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.803 -0.561 . . . . 0.0 110.17 -179.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.436 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -49.83 -49.08 50.3 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.478 -0.764 . . . . 0.0 110.906 -178.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.554 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 47.0 mt -57.89 -37.9 74.82 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.789 -1.194 . . . . 0.0 109.478 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.0 m -62.26 -33.31 74.37 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.285 -1.51 . . . . 0.0 109.029 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -73.28 -37.36 66.29 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.623 ' O ' ' N ' ' A' ' 37' ' ' ALA . 0.1 OUTLIER -57.34 -42.24 81.6 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 179.293 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.638 HH22 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -49.71 -51.02 41.66 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 107.618 -1.252 . . . . 0.0 107.618 177.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.46 -54.52 13.89 Favored 'General case' 0 N--CA 1.489 1.475 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.99 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.22 -26.1 68.18 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.111 -0.993 . . . . 0.0 109.268 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.623 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -64.85 -66.8 0.5 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.297 -0.877 . . . . 0.0 110.896 -179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.26 -19.96 56.99 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.047 -1.061 . . . . 0.0 109.358 -178.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -62.52 -40.18 95.94 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 105.928 -1.878 . . . . 0.0 105.928 178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.04 -29.42 69.72 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.551 ' NE2' ' SD ' ' A' ' 58' ' ' MET . 0.0 OUTLIER -48.29 -44.37 33.71 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 178.603 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -100.98 15.25 29.29 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 121.255 0.55 . . . . 0.0 109.719 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.82 63.12 0.11 Allowed 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -106.03 154.58 39.44 Favored Pre-proline 0 C--N 1.298 -1.646 0 N-CA-C 108.736 -0.839 . . . . 0.0 108.736 -178.457 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.544 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 13.2 Cg_exo -31.85 -40.88 0.1 Allowed 'Trans proline' 0 N--CA 1.487 1.143 0 C-N-CA 122.667 2.244 . . . . 0.0 114.408 -179.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.486 ' HD2' HG23 ' A' ' 44' ' ' THR . 20.3 Cg_endo -97.73 -7.24 0.84 Allowed 'Trans proline' 0 C--N 1.316 -1.179 0 C-N-CA 122.596 2.197 . . . . 0.0 111.387 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.589 ' O ' ' N ' ' A' ' 49' ' ' GLU . 1.2 mtpp 67.89 -4.15 1.05 Allowed 'General case' 0 N--CA 1.485 1.28 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.659 HD23 ' CG ' ' A' ' 61' ' ' PHE . 2.9 tm? 65.13 -56.47 0.3 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 106.595 -1.632 . . . . 0.0 106.595 -177.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' A' ' 47' ' ' LYS . 60.7 mt-10 -91.66 104.48 16.94 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 177.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.51 -4.36 51.23 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.074 -1.016 . . . . 0.0 108.359 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.571 ' HG2' ' H ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -167.06 -75.51 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 179.728 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.571 ' H ' ' HG2' ' A' ' 51' ' ' LYS . 11.2 m -171.88 60.55 0.3 Allowed Pre-proline 0 C--N 1.306 -1.287 0 O-C-N 121.349 -0.844 . . . . 0.0 109.75 178.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 52' ' ' SER . 50.2 Cg_exo -51.95 -73.15 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.957 1.771 . . . . 0.0 111.453 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.551 ' O ' ' CB ' ' A' ' 55' ' ' SER . 2.4 m-20 -139.18 -60.6 0.57 Allowed 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 60.4 p 114.69 -43.48 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.477 0 C-N-CA 123.849 0.86 . . . . 0.0 111.291 179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.468 ' C ' ' H ' ' A' ' 58' ' ' MET . 3.3 Cg_exo -77.63 -42.39 0.27 Allowed 'Trans proline' 0 N--CA 1.491 1.342 0 CA-C-N 121.346 1.516 . . . . 0.0 109.811 177.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -58.9 -2.82 0.27 Allowed 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.398 0.618 . . . . 0.0 109.408 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.551 ' SD ' ' NE2' ' A' ' 41' ' ' GLN . 7.1 tmm? -67.7 -53.65 25.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.876 -1.14 . . . . 0.0 109.682 -179.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 62' ' ' ARG . 18.0 tptt -54.03 -35.99 62.55 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.587 -1.32 . . . . 0.0 108.502 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -56.6 -33.46 66.25 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.659 ' CG ' HD23 ' A' ' 48' ' ' LEU . 7.7 t80 -56.98 -32.39 66.03 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 177.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 59' ' ' LYS . 19.8 ttp180 -54.67 -45.74 73.95 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 107.376 -1.342 . . . . 0.0 107.376 176.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -50.13 -28.76 7.81 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -72.07 -50.11 19.09 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 108.107 -1.997 . . . . 0.0 108.107 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -71.87 -35.93 69.95 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' ARG . 16.3 t0 -53.99 -39.8 66.37 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -178.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mm -66.73 -63.09 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.508 -0.745 . . . . 0.0 110.536 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.5 pp -52.99 -44.03 66.9 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.04 -1.038 . . . . 0.0 109.248 -178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -14.99 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 120.675 -1.266 . . . . 0.0 109.079 178.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.03 -60.94 4.89 Favored Glycine 0 N--CA 1.485 1.918 0 C-N-CA 119.818 -1.182 . . . . 0.0 111.59 -177.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.595 ' CD ' ' H ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -70.06 -22.36 63.08 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.601 -1.529 . . . . 0.0 109.724 -178.599 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.726 HD11 HD13 ' A' ' 94' ' ' LEU . 40.6 mt -63.53 -59.78 3.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 120.984 -1.073 . . . . 0.0 108.294 179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -57.23 -34.82 68.96 Favored 'General case' 0 C--N 1.303 -1.448 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -61.58 -20.74 63.65 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 120.206 -1.559 . . . . 0.0 107.808 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.1 -33.78 68.13 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 105.458 -2.053 . . . . 0.0 105.458 176.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.555 ' O ' HD23 ' A' ' 76' ' ' LEU . 4.4 tt -58.3 -39.17 78.63 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 177.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.7 ttpp -63.12 -46.26 88.11 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 122.347 1.07 . . . . 0.0 109.476 179.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.6 mp -64.4 -54.85 26.31 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.436 ' HA ' ' H ' ' A' ' 83' ' ' LYS . . . -45.86 -32.61 2.71 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.063 -1.023 . . . . 0.0 109.799 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.417 HD21 HD23 ' A' ' 76' ' ' LEU . 2.4 m120 -63.19 -31.63 72.82 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 178.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 78' ' ' LEU . 2.5 tp10 -84.84 3.83 36.0 Favored 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.7 47.58 5.3 Favored Glycine 0 N--CA 1.496 2.658 0 O-C-N 121.178 -0.951 . . . . 0.0 111.029 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' H ' ' HA ' ' A' ' 79' ' ' ALA . 14.6 mmtp -102.0 68.78 1.14 Allowed 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.119 -1.224 . . . . 0.0 110.013 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.0 t -63.83 -40.15 88.0 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.99 0 O-C-N 121.698 -0.626 . . . . 0.0 110.114 179.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -55.29 6.61 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.11 -0.994 . . . . 0.0 110.385 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -61.56 -40.98 96.66 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.611 -0.68 . . . . 0.0 110.065 -178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.32 -50.5 67.58 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.059 -1.026 . . . . 0.0 110.328 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.656 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 25.8 mt-30 -62.33 -39.77 94.15 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.904 -1.123 . . . . 0.0 108.893 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.98 92.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.844 -1.16 . . . . 0.0 108.04 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.61 -20.72 61.43 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 107.856 -1.165 . . . . 0.0 107.856 178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.656 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.88 -52.65 55.4 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.664 -0.648 . . . . 0.0 109.565 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -60.89 -13.24 14.41 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.283 -0.886 . . . . 0.0 108.857 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.588 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.95 -40.04 61.0 Favored 'General case' 0 C--N 1.304 -1.411 0 N-CA-C 107.003 -1.48 . . . . 0.0 107.003 178.589 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.726 HD13 HD11 ' A' ' 72' ' ' ILE . 39.6 tp -68.3 -45.02 74.14 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.278 -0.889 . . . . 0.0 109.126 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.424 ' NZ ' ' OE2' ' A' ' 18' ' ' GLU . 17.5 mttt -54.24 -66.61 0.37 Allowed 'General case' 0 C--N 1.3 -1.563 0 O-C-N 120.985 -1.072 . . . . 0.0 110.087 -179.189 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 m -65.64 -23.42 66.8 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.124 -0.985 . . . . 0.0 110.662 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.588 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.5 m -50.03 -58.27 5.85 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 120.652 -1.28 . . . . 0.0 108.02 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.4 mp -55.92 -55.52 17.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.585 -0.697 . . . . 0.0 109.284 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.614 ' HE ' ' C ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -58.65 -50.87 72.26 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.67 -1.269 . . . . 0.0 110.638 -179.097 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.89 -31.02 71.28 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.853 -1.154 . . . . 0.0 109.624 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.485 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.0 m-30 -72.52 -4.09 28.48 Favored 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.485 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.1 t30 88.97 63.8 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 104.56 -2.385 . . . . 0.0 104.56 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.47 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.5 OUTLIER 46.99 58.95 4.32 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 106.438 -1.69 . . . . 0.0 106.438 -175.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 98' ' ' ILE . 29.1 tptt 58.27 -80.75 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 114.274 -1.33 . . . . 0.0 109.22 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -144.37 5.34 1.25 Allowed 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.473 -1.392 . . . . 0.0 109.088 178.612 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 CA-C-O 117.937 -1.479 . . . . 0.0 109.591 -179.949 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.243 0.544 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -78.45 175.62 10.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.242 -0.911 . . . . 0.0 109.516 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.492 HD13 ' O ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -54.99 -46.28 75.11 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.969 -1.082 . . . . 0.0 109.856 -179.862 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -62.07 -15.05 42.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.26 -0.9 . . . . 0.0 111.015 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -75.96 -36.02 59.44 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.175 -1.578 . . . . 0.0 108.872 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.567 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -52.4 -39.75 61.29 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 106.181 -1.785 . . . . 0.0 106.181 178.489 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.567 ' N ' HD22 ' A' ' 6' ' ' ASN . 2.1 m95 -59.58 -38.27 80.74 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 5' ' ' ASP . 36.0 tt0 -57.9 -43.54 86.19 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.516 -0.74 . . . . 0.0 109.328 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.493 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.7 m -57.1 -54.5 46.05 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 178.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.467 HD12 ' HB1' ' A' ' 36' ' ' ALA . 6.2 mp -65.13 -27.56 68.82 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 179.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.6 OUTLIER -60.89 -65.19 0.73 Allowed 'General case' 0 C--N 1.292 -1.925 0 O-C-N 120.699 -1.251 . . . . 0.0 110.058 -179.106 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -54.88 -19.3 6.28 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.875 -0.516 . . . . 0.0 109.874 -178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 9' ' ' THR . 11.2 m-80 -67.54 -57.96 5.55 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 117.748 -1.581 . . . . 0.0 108.469 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.7 mm? -57.16 -31.11 65.06 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.036 -1.04 . . . . 0.0 108.837 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.9 ttpp -59.8 -48.53 81.3 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.692 -0.63 . . . . 0.0 110.557 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.629 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.5 t -68.49 -56.47 12.31 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 120.692 -1.255 . . . . 0.0 111.133 -178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.472 HD11 ' CE ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -49.2 -45.41 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.342 0 O-C-N 120.302 -1.499 . . . . 0.0 107.938 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 11.4 mm-40 -59.76 -27.58 66.65 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 16' ' ' VAL . 9.1 mtpp -127.8 34.17 4.68 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.548 -0.72 . . . . 0.0 110.327 -178.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.629 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.67 -21.07 66.64 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.011 -1.055 . . . . 0.0 110.535 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 19' ' ' LYS . 0.9 OUTLIER 69.11 -32.45 0.22 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.635 -0.666 . . . . 0.0 109.531 -178.835 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.545 HD22 HE22 ' A' ' 25' ' ' GLN . 4.4 m-80 -153.4 150.56 28.96 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.24 -0.913 . . . . 0.0 109.855 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.729 ' HB2' HG22 ' A' ' 84' ' ' VAL . . . -51.89 -13.84 0.32 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.93 . . . . 0.0 108.814 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' N ' ' C ' ' A' ' 22' ' ' ASN . . . -67.07 -61.12 2.09 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.231 -0.918 . . . . 0.0 110.113 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.545 HE22 HD22 ' A' ' 22' ' ' ASN . 1.0 OUTLIER -66.54 -10.5 45.62 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.889 -1.132 . . . . 0.0 110.292 -179.189 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.523 HG23 ' CB ' ' A' ' 20' ' ' ALA . 12.4 t -70.35 -58.87 4.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 120.859 -1.151 . . . . 0.0 108.165 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HG2' ' H ' ' A' ' 27' ' ' LYS . 14.4 ptmt -57.2 -31.01 65.02 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.569 -0.707 . . . . 0.0 109.84 -179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.24 -61.31 2.44 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.124 -0.985 . . . . 0.0 109.051 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.518 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -49.41 -43.84 44.77 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.303 -179.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.536 ' O ' ' NH1' ' A' ' 34' ' ' ARG . 14.8 mt -60.93 -37.27 81.72 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.837 -1.164 . . . . 0.0 110.172 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.4 m -62.86 -29.14 70.52 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 120.675 -1.266 . . . . 0.0 108.35 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 mmtt -72.48 -39.29 67.82 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.696 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.2 mtm -57.67 -42.58 83.86 Favored 'General case' 0 C--O 1.199 -1.586 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 178.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.595 HH22 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -46.99 -47.27 22.0 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.899 -1.126 . . . . 0.0 108.081 178.792 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.1 -55.82 11.08 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.467 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -65.6 -19.05 65.76 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.433 -0.792 . . . . 0.0 109.884 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.696 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -65.41 -71.68 0.18 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.195 -0.941 . . . . 0.0 110.323 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.631 ' CD2' ' HE ' ' A' ' 62' ' ' ARG . 8.2 mt -64.16 -19.04 65.03 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.148 -1.021 . . . . 0.0 109.355 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -63.98 -40.89 97.41 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.418 ' O ' ' C ' ' A' ' 41' ' ' GLN . . . -59.0 -31.58 68.93 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 177.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.566 HE21 ' NZ ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -47.71 -40.17 19.56 Favored 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 177.618 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.659 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 36.2 mmtt -98.73 107.59 20.07 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.659 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . 80.58 73.42 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.942 0 CA-C-O 122.132 0.967 . . . . 0.0 109.418 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.404 ' C ' ' CD ' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -113.48 161.44 27.28 Favored Pre-proline 0 N--CA 1.5 2.055 0 N-CA-C 106.793 -1.558 . . . . 0.0 106.793 179.723 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.502 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 32.1 Cg_exo -33.44 -41.0 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 121.975 1.783 . . . . 0.0 114.099 -178.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' LEU . 25.3 Cg_endo -100.28 10.61 0.61 Allowed 'Trans proline' 0 C--N 1.316 -1.174 0 C-N-CA 123.094 2.529 . . . . 0.0 110.961 178.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.624 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 40.71 26.12 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -179.117 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.634 HD23 ' CD1' ' A' ' 61' ' ' PHE . 3.5 tm? 39.61 -86.47 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.624 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.9 pt-20 -71.41 105.68 3.64 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.86 -1.15 . . . . 0.0 108.682 178.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -91.15 -3.59 56.91 Favored 'General case' 0 N--CA 1.493 1.692 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.699 ' CG ' ' H ' ' A' ' 52' ' ' SER . 9.6 pttp -164.95 -68.68 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.699 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 3.3 m -179.22 63.45 0.14 Allowed Pre-proline 0 C--N 1.308 -1.205 0 O-C-N 121.206 -0.934 . . . . 0.0 109.554 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.85 -73.95 0.03 OUTLIER 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.067 1.845 . . . . 0.0 111.742 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.53 ' O ' ' CB ' ' A' ' 55' ' ' SER . 0.9 OUTLIER -140.11 -61.12 0.52 Allowed 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.53 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 26.4 p 111.0 -43.61 0.0 OUTLIER Pre-proline 0 N--CA 1.507 2.413 0 C-N-CA 123.881 0.872 . . . . 0.0 110.993 179.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD3' ' OG ' ' A' ' 55' ' ' SER . 19.6 Cg_exo -66.26 -37.07 25.67 Favored 'Trans proline' 0 N--CA 1.49 1.289 0 CA-C-N 121.367 1.524 . . . . 0.0 109.179 177.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.658 ' O ' ' N ' ' A' ' 60' ' ' ASP . 22.1 tt0 -57.53 -64.46 0.89 Allowed 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.546 ' C ' ' O ' ' A' ' 57' ' ' GLU . 11.1 ttt 8.23 -77.17 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.428 0 N-CA-C 112.708 0.632 . . . . 0.0 112.708 178.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.553 ' O ' ' N ' ' A' ' 62' ' ' ARG . 18.7 tptt -51.27 -39.64 57.19 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.178 -0.951 . . . . 0.0 109.101 -179.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.658 ' N ' ' O ' ' A' ' 57' ' ' GLU . 7.6 t0 -53.48 -35.17 60.28 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 106.178 -1.786 . . . . 0.0 106.178 178.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.634 ' CD1' HD23 ' A' ' 48' ' ' LEU . 10.4 t80 -55.21 -36.86 66.41 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 177.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.631 ' HE ' ' CD2' ' A' ' 38' ' ' LEU . 17.3 ttt180 -52.42 -36.11 53.55 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 175.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 60' ' ' ASP . 9.8 t60 -51.32 -34.66 34.54 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -69.49 -48.66 42.74 Favored Glycine 0 N--CA 1.497 2.723 0 N-CA-C 108.862 -1.695 . . . . 0.0 108.862 178.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -72.44 -43.32 63.96 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.393 -1.063 . . . . 0.0 108.27 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 62' ' ' ARG . 50.0 t0 -46.93 -44.01 19.5 Favored 'General case' 0 C--N 1.298 -1.631 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.3 mm -62.33 -66.34 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 O-C-N 121.363 -0.836 . . . . 0.0 109.245 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.72 -37.02 70.39 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.165 -0.959 . . . . 0.0 109.504 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.415 HG22 ' HB1' ' A' ' 37' ' ' ALA . 54.7 t -68.19 -21.11 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 120.859 -1.151 . . . . 0.0 110.169 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.5 -48.91 21.49 Favored Glycine 0 N--CA 1.495 2.606 0 O-C-N 121.117 -0.989 . . . . 0.0 110.967 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -71.57 -26.43 62.62 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.868 -1.372 . . . . 0.0 110.642 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.595 HG21 HH22 ' A' ' 34' ' ' ARG . 25.7 mt -60.55 -60.08 3.16 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 1.9 p30 -56.48 -32.0 64.58 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.405 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 48.1 t0 -61.95 -22.79 65.92 Favored 'General case' 0 C--N 1.297 -1.711 0 C-N-CA 117.754 -1.579 . . . . 0.0 108.012 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.88 -34.86 72.03 Favored 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 105.777 -1.934 . . . . 0.0 105.777 176.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.491 ' O ' HD23 ' A' ' 76' ' ' LEU . 5.1 tt -59.32 -42.34 91.18 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 106.773 -1.565 . . . . 0.0 106.773 177.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -62.47 -45.95 90.7 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 122.257 1.027 . . . . 0.0 110.001 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.7 mp -63.49 -52.88 59.38 Favored 'General case' 0 C--N 1.289 -2.058 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.88 -179.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.8 -42.47 17.13 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.031 -1.043 . . . . 0.0 109.42 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' A' ' 80' ' ' ASN . 0.7 OUTLIER -61.76 -25.71 67.63 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 178.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 78' ' ' LEU . 66.2 tt0 -87.04 5.88 35.28 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.52 38.88 7.43 Favored Glycine 0 N--CA 1.497 2.723 0 O-C-N 121.378 -0.826 . . . . 0.0 111.392 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -100.28 68.96 1.45 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 120.936 -1.332 . . . . 0.0 109.808 179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.729 HG22 ' HB2' ' A' ' 23' ' ' ALA . 64.7 t -63.53 -52.75 53.91 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 121.717 -0.614 . . . . 0.0 110.135 179.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.51 -49.69 21.09 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.22 -0.925 . . . . 0.0 110.405 -179.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -57.08 -43.76 82.47 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.666 -0.646 . . . . 0.0 109.636 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.31 -43.85 97.87 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.038 -1.039 . . . . 0.0 109.142 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.577 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 28.2 mt-30 -64.76 -39.24 93.28 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.236 -0.915 . . . . 0.0 108.629 179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.26 96.04 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.17 -22.2 65.7 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.29 -53.33 50.57 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.231 -0.918 . . . . 0.0 109.02 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.44 ' OE2' ' O ' ' A' ' 88' ' ' GLN . 2.2 mp0 -58.64 -15.74 13.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.889 -1.132 . . . . 0.0 109.995 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.597 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.06 -37.86 64.12 Favored 'General case' 0 N--CA 1.487 1.382 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.456 HD23 HD21 ' A' ' 14' ' ' LEU . 20.9 tp -67.94 -41.2 82.89 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.885 0.85 . . . . 0.0 109.986 178.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -56.4 -65.67 0.57 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.711 -1.243 . . . . 0.0 109.296 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 m -65.6 -21.96 66.63 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.282 -0.886 . . . . 0.0 110.273 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.597 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 3.2 m -49.31 -57.93 5.96 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.577 -1.327 . . . . 0.0 108.328 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.42 ' H ' HD12 ' A' ' 98' ' ' ILE . 2.8 mp -58.76 -53.85 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.68 -0.637 . . . . 0.0 110.075 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -60.87 -50.14 74.62 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 120.688 -1.258 . . . . 0.0 110.777 -179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.0 -31.25 71.6 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.906 -1.121 . . . . 0.0 109.715 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.0 m-30 -72.09 -4.9 31.61 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.8 t30 88.7 66.11 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 -176.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.563 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.0 OUTLIER 46.88 54.79 8.67 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 -176.516 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.2 tptp 60.06 -81.76 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 114.196 -1.365 . . . . 0.0 110.104 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.17 7.12 1.98 Allowed 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.476 -1.39 . . . . 0.0 108.937 179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.454 0.645 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.519 ' CG ' ' H ' ' A' ' 3' ' ' LEU . 14.8 t70 -81.82 -173.37 4.42 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 121.795 0.807 . . . . 0.0 110.565 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.519 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 0.5 OUTLIER -49.26 -28.53 4.77 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -58.8 -10.31 2.31 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.165 -0.96 . . . . 0.0 109.314 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' A' ' 8' ' ' GLU . 1.5 p30 -76.13 -47.88 22.73 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.183 -0.948 . . . . 0.0 110.435 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.516 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -48.4 -38.74 20.35 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 106.385 -1.709 . . . . 0.0 106.385 179.211 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.53 ' HE1' ' HG3' ' A' ' 45' ' ' PRO . 2.0 m95 -59.82 -40.97 90.21 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 5' ' ' ASP . 30.9 tt0 -57.66 -44.05 85.4 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.487 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 3.3 m -55.92 -54.33 46.07 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 178.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.43 HD12 ' HB1' ' A' ' 36' ' ' ALA . 4.7 mp -65.09 -30.89 71.88 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.841 -0.799 . . . . 0.0 108.841 179.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.5 OUTLIER -60.28 -64.71 0.86 Allowed 'General case' 0 C--N 1.293 -1.857 0 O-C-N 120.927 -1.108 . . . . 0.0 109.814 -179.404 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.41 -22.52 7.79 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.552 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 9' ' ' THR . 17.6 m-80 -70.56 -65.02 0.79 Allowed 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 118.485 -1.286 . . . . 0.0 108.735 -178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 14' ' ' LEU . 3.1 mm? -53.54 -31.97 48.64 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.069 -1.019 . . . . 0.0 108.466 178.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -59.16 -50.95 72.08 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-O 121.419 0.628 . . . . 0.0 110.063 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.669 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.5 t -64.93 -52.62 51.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.63 0 O-C-N 121.059 -1.026 . . . . 0.0 110.455 -178.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -51.42 -49.78 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.105 0 O-C-N 119.987 -1.695 . . . . 0.0 107.485 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -54.51 -30.67 54.26 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -129.16 39.17 3.81 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.429 -0.795 . . . . 0.0 110.223 -178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.669 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -66.16 -24.76 66.71 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.053 -1.029 . . . . 0.0 110.962 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 70.08 -34.21 0.28 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.477 -0.764 . . . . 0.0 109.391 -178.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.844 HD22 HE22 ' A' ' 25' ' ' GLN . 7.1 m-80 -152.99 152.18 31.11 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.246 -0.909 . . . . 0.0 109.68 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.69 -17.81 1.5 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.296 -0.878 . . . . 0.0 109.681 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.74 -54.67 20.47 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.962 -1.086 . . . . 0.0 110.39 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.844 HE22 HD22 ' A' ' 22' ' ' ASN . 2.2 mt-30 -65.45 -16.48 63.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.848 -1.158 . . . . 0.0 109.995 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.554 HG23 ' CB ' ' A' ' 20' ' ' ALA . 5.5 t -70.04 -53.36 24.01 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 N-CA-C 107.489 -1.301 . . . . 0.0 107.489 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' HG2' ' ND2' ' A' ' 80' ' ' ASN . 36.9 mtpt -56.34 -36.45 68.77 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.716 0.769 . . . . 0.0 109.867 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 -62.82 1.49 Allowed 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.789 -0.57 . . . . 0.0 109.946 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.418 ' HB2' HG11 ' A' ' 16' ' ' VAL . . . -51.95 -45.73 64.49 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.631 -0.668 . . . . 0.0 111.161 -178.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.79 -34.33 72.89 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.934 -1.104 . . . . 0.0 110.175 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m -65.25 -32.74 74.56 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.703 -1.248 . . . . 0.0 108.473 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 5.3 mmtt -73.12 -38.07 66.46 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.65 ' O ' ' N ' ' A' ' 37' ' ' ALA . 12.3 mtp -57.22 -40.61 77.86 Favored 'General case' 0 C--O 1.202 -1.422 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.651 ' N ' ' NH1' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -49.18 -49.87 40.67 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.804 -1.185 . . . . 0.0 107.823 178.819 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.87 -49.64 65.04 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.43 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -67.08 -19.52 65.66 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.557 -0.715 . . . . 0.0 109.908 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.65 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.82 -75.24 0.1 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.162 -0.961 . . . . 0.0 110.557 -178.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.95 -20.68 66.05 Favored 'General case' 0 N--CA 1.49 1.556 0 C-N-CA 118.947 -1.101 . . . . 0.0 110.051 -178.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -61.92 -42.38 99.02 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.42 -30.11 68.24 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.406 ' O ' ' OE1' ' A' ' 41' ' ' GLN . 0.1 OUTLIER -48.99 -38.2 22.55 Favored 'General case' 0 N--CA 1.501 2.09 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.272 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -84.72 -4.93 59.27 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.831 -0.543 . . . . 0.0 111.236 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.66 120.74 1.27 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.55 -1.344 . . . . 0.0 109.349 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.29 168.13 13.84 Favored Pre-proline 0 N--CA 1.498 1.928 0 O-C-N 120.977 -1.077 . . . . 0.0 109.788 -179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 31.9 Cg_exo -37.24 -41.74 0.87 Allowed 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 123.276 2.651 . . . . 0.0 114.765 -179.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.501 ' O ' ' O ' ' A' ' 47' ' ' LYS . 67.7 Cg_endo -105.16 1.45 0.23 Allowed 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 123.09 2.527 . . . . 0.0 111.687 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.501 ' O ' ' O ' ' A' ' 46' ' ' PRO . 4.1 mptt 55.86 113.61 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.961 HD13 ' O ' ' A' ' 48' ' ' LEU . 3.4 tm? -57.93 -17.06 14.44 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.628 ' C ' ' H ' ' A' ' 51' ' ' LYS . 30.8 mt-10 -101.71 -71.94 0.7 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.314 -0.867 . . . . 0.0 110.014 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.5 t0 65.54 -32.01 0.15 Allowed 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.177 -0.952 . . . . 0.0 109.094 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.656 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.6 OUTLIER -164.23 -83.42 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.656 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 9.5 m -172.86 65.08 0.34 Allowed Pre-proline 0 N--CA 1.485 1.308 0 O-C-N 121.235 -0.916 . . . . 0.0 109.77 178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.401 ' HD3' ' N ' ' A' ' 52' ' ' SER . 63.6 Cg_exo -54.21 -73.62 0.03 OUTLIER 'Trans proline' 0 N--CA 1.498 1.778 0 C-N-CA 122.908 2.406 . . . . 0.0 112.456 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.56 ' O ' ' CB ' ' A' ' 55' ' ' SER . 1.3 m-20 -138.07 -70.14 0.44 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 52.1 p 111.9 -41.76 0.0 OUTLIER Pre-proline 0 N--CA 1.506 2.335 0 C-N-CA 123.572 0.749 . . . . 0.0 110.479 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.401 ' HD3' ' OG ' ' A' ' 55' ' ' SER . 23.6 Cg_exo -64.24 -35.83 49.63 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 CA-C-N 121.129 1.439 . . . . 0.0 108.956 176.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.599 ' O ' ' N ' ' A' ' 60' ' ' ASP . 28.1 tt0 -57.03 -67.56 0.3 Allowed 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.597 ' SD ' ' N ' ' A' ' 59' ' ' LYS . 2.0 tmt? 12.84 -80.02 0.0 OUTLIER 'General case' 0 N--CA 1.503 2.204 0 N-CA-C 113.125 0.787 . . . . 0.0 113.125 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.597 ' N ' ' SD ' ' A' ' 58' ' ' MET . 12.6 tptt -52.92 -41.79 64.76 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.476 -1.39 . . . . 0.0 108.818 -179.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.599 ' N ' ' O ' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -53.71 -36.44 62.24 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 178.366 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.672 ' CD1' HD23 ' A' ' 48' ' ' LEU . 13.6 t80 -55.06 -38.37 67.93 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 106.021 -1.844 . . . . 0.0 106.021 176.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.584 ' O ' ' N ' ' A' ' 66' ' ' ASP . 12.4 ttp180 -54.94 -30.76 59.43 Favored 'General case' 0 C--O 1.203 -1.382 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.512 ' N ' ' O ' ' A' ' 60' ' ' ASP . 6.4 t60 -56.69 -38.78 72.74 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.77 -46.42 60.92 Favored Glycine 0 N--CA 1.494 2.545 0 N-CA-C 108.813 -1.715 . . . . 0.0 108.813 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -72.54 -42.69 64.44 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.532 -0.981 . . . . 0.0 109.03 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 62' ' ' ARG . 23.0 t0 -48.08 -43.51 30.69 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 -178.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.63 -68.57 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.37 0 O-C-N 121.497 -0.752 . . . . 0.0 110.123 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.56 -36.74 62.2 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.204 -0.935 . . . . 0.0 109.995 -178.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 71.1 t -67.61 -24.84 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.615 -1.303 . . . . 0.0 110.129 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.28 -44.96 63.1 Favored Glycine 0 N--CA 1.493 2.44 0 C-N-CA 120.276 -0.964 . . . . 0.0 110.708 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -23.55 61.36 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 120.822 -1.399 . . . . 0.0 110.206 -179.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.545 HG21 HH22 ' A' ' 34' ' ' ARG . 18.6 mt -60.57 -61.25 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 178.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -59.17 -30.76 68.43 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.805 -0.559 . . . . 0.0 109.912 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.97 -24.71 68.02 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 117.637 -1.625 . . . . 0.0 108.811 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.83 -33.86 71.11 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 105.714 -1.958 . . . . 0.0 105.714 176.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.408 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 4.7 tt -58.21 -39.96 80.36 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 177.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -64.29 -49.64 71.03 Favored 'General case' 0 C--N 1.3 -1.55 0 CA-C-O 122.215 1.007 . . . . 0.0 110.079 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.3 mp -62.98 -56.36 17.76 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.705 -179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.455 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -44.01 -35.81 2.23 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.196 -0.94 . . . . 0.0 110.103 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.41 ' ND2' ' HG2' ' A' ' 27' ' ' LYS . 1.7 m120 -66.21 -29.23 69.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.881 -1.137 . . . . 0.0 107.998 178.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 78' ' ' LEU . 27.9 tt0 -84.91 7.57 20.57 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.0 39.13 7.59 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 121.324 -0.86 . . . . 0.0 111.838 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -101.42 59.52 0.88 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.841 -1.387 . . . . 0.0 109.837 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.1 t -58.77 -46.35 90.81 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 O-C-N 121.283 -0.886 . . . . 0.0 109.969 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -73.85 -56.13 5.35 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.195 -0.941 . . . . 0.0 110.193 -179.684 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.83 -40.91 76.91 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 121.75 -0.594 . . . . 0.0 109.547 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.1 97.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.035 -1.04 . . . . 0.0 108.83 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.608 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 22.9 mt-30 -64.73 -40.95 96.19 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.11 -0.994 . . . . 0.0 108.83 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.6 -40.19 82.56 Favored 'General case' 0 N--CA 1.489 1.512 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.14 -25.52 67.79 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -63.7 -44.44 93.64 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.06 -16.37 63.38 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.436 -0.79 . . . . 0.0 109.058 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.555 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.72 -44.66 48.76 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.157 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.462 ' N ' ' HG3' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -70.77 -36.5 73.11 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 109.888 -179.617 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt -57.59 -60.69 3.29 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.601 -1.312 . . . . 0.0 107.97 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 m -66.87 -24.74 66.16 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.433 -0.792 . . . . 0.0 110.352 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.555 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 19.9 m -48.55 -56.02 9.49 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.833 -1.167 . . . . 0.0 108.38 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.3 mp -57.93 -56.54 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -50.7 73.01 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.601 -1.312 . . . . 0.0 110.906 -179.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.88 -31.58 71.04 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.936 -1.103 . . . . 0.0 109.595 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.504 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 4.0 m-30 -72.04 -3.74 24.7 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 107.344 -1.354 . . . . 0.0 107.344 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.5 t30 88.46 65.32 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 -176.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.48 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.4 OUTLIER 46.82 58.28 4.86 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -176.096 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 35.9 tptt 58.19 -77.81 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.453 0 CA-C-N 114.55 -1.205 . . . . 0.0 109.416 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -143.84 9.32 1.52 Allowed 'General case' 0 N--CA 1.506 2.368 0 O-C-N 120.221 -1.549 . . . . 0.0 108.891 178.104 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 179.796 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.188 0.518 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 4' ' ' GLU . 6.5 m-20 -74.69 -170.49 1.06 Allowed 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 179.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 3' ' ' LEU . 34.6 mt -45.17 -20.8 0.05 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.339 -0.851 . . . . 0.0 109.128 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 2' ' ' ASP . 15.0 pt-20 -63.57 -26.42 68.69 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.407 -0.808 . . . . 0.0 109.004 178.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 6' ' ' ASN . 12.3 p-10 -75.85 -30.25 58.87 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.03 -1.044 . . . . 0.0 110.283 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.488 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -56.68 -43.0 80.02 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 178.584 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.413 ' N ' HD22 ' A' ' 6' ' ' ASN . 2.8 m95 -56.82 -40.26 75.69 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -57.99 -43.72 86.75 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.528 -0.732 . . . . 0.0 109.246 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -55.4 -53.68 53.15 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 120.944 -1.098 . . . . 0.0 108.171 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.478 HD12 ' HB1' ' A' ' 36' ' ' ALA . 5.7 mp -64.98 -26.88 68.48 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-O 121.556 0.693 . . . . 0.0 109.37 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -59.24 -63.42 1.31 Allowed 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.487 -1.383 . . . . 0.0 110.1 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -54.23 -23.29 14.13 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -65.65 -57.59 7.74 Favored 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 117.539 -1.664 . . . . 0.0 107.934 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.521 HD21 HD23 ' A' ' 94' ' ' LEU . 4.2 mm? -56.01 -34.32 65.7 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.835 0.826 . . . . 0.0 108.841 179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -57.13 -52.57 64.79 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.647 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.9 t -67.7 -50.27 62.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.613 0 O-C-N 120.655 -1.278 . . . . 0.0 111.523 -178.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -51.06 -51.33 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 O-C-N 119.744 -1.848 . . . . 0.0 108.135 -179.33 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.401 ' HA ' HE21 ' A' ' 88' ' ' GLN . 2.7 mm-40 -56.12 -26.89 51.82 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -127.61 33.32 4.84 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.483 -0.761 . . . . 0.0 109.967 -178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.647 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -65.21 -27.16 68.48 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.168 -0.958 . . . . 0.0 110.809 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 70.94 -34.51 0.3 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.528 -0.732 . . . . 0.0 109.204 -178.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.75 HD22 HE22 ' A' ' 25' ' ' GLN . 4.0 m-80 -152.48 150.77 29.97 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.421 -0.8 . . . . 0.0 109.169 179.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.02 -12.34 0.22 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.274 -0.891 . . . . 0.0 109.406 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.423 ' N ' ' C ' ' A' ' 22' ' ' ASN . . . -67.97 -56.9 7.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.119 -0.988 . . . . 0.0 109.976 -179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.75 HE22 HD22 ' A' ' 22' ' ' ASN . 2.3 mt-30 -66.24 -12.57 57.03 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.056 -1.027 . . . . 0.0 110.176 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.521 HG23 ' CB ' ' A' ' 20' ' ' ALA . 6.5 t -72.07 -51.79 28.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 178.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HG2' ' ND2' ' A' ' 80' ' ' ASN . 32.4 mtpt -52.77 -35.44 56.49 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 122.238 1.018 . . . . 0.0 108.716 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.86 -61.0 2.91 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.466 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.97 -55.92 25.44 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 121.397 -0.815 . . . . 0.0 111.659 -178.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 28.8 mt -54.73 -31.97 59.03 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.002 -1.061 . . . . 0.0 110.18 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.0 m -65.9 -32.59 74.17 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.821 -1.174 . . . . 0.0 109.167 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -73.13 -35.67 66.56 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.654 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.4 mtt -58.36 -39.83 80.6 Favored 'General case' 0 C--O 1.202 -1.42 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.418 HH22 HG13 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -51.9 -47.67 64.49 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.622 -1.299 . . . . 0.0 107.854 178.671 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -54.29 15.22 Favored 'General case' 0 C--N 1.298 -1.656 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.037 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.478 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -64.9 -18.12 64.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.464 -0.772 . . . . 0.0 109.521 179.452 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -67.82 -72.66 0.16 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.274 -0.891 . . . . 0.0 110.721 -178.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mt -65.19 -25.0 67.52 Favored 'General case' 0 N--CA 1.491 1.624 0 C-N-CA 118.69 -1.204 . . . . 0.0 110.036 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.71 -37.9 88.33 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.09 -30.99 69.61 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 107.216 -1.402 . . . . 0.0 107.216 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -50.45 -40.38 50.45 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 178.126 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -91.47 8.69 35.2 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.596 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.52 92.28 0.62 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.04 -1.038 . . . . 0.0 108.555 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.447 HG23 ' HD2' ' A' ' 46' ' ' PRO . 0.1 OUTLIER -132.34 153.66 81.31 Favored Pre-proline 0 N--CA 1.497 1.917 0 O-C-N 121.259 -0.901 . . . . 0.0 108.637 -178.892 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -33.71 -40.6 0.17 Allowed 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 122.494 2.129 . . . . 0.0 114.205 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.541 ' O ' ' N ' ' A' ' 48' ' ' LEU . 18.9 Cg_endo -97.94 7.48 1.2 Allowed 'Trans proline' 0 C--N 1.315 -1.207 0 C-N-CA 122.747 2.298 . . . . 0.0 111.317 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.667 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 41.94 20.73 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -178.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.544 HD13 ' C ' ' A' ' 48' ' ' LEU . 1.6 tm? 39.08 -83.14 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 -178.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.667 ' N ' ' O ' ' A' ' 47' ' ' LYS . 25.7 mp0 -67.03 93.01 0.26 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.61 -1.306 . . . . 0.0 107.793 177.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -93.07 -7.17 46.39 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.293 -0.879 . . . . 0.0 108.644 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.685 ' CG ' ' H ' ' A' ' 52' ' ' SER . 4.7 pttp -167.84 -71.64 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.685 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 3.3 m -176.89 67.83 0.23 Allowed Pre-proline 0 C--N 1.304 -1.374 0 O-C-N 121.425 -0.797 . . . . 0.0 108.999 178.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -60.86 -71.84 0.03 OUTLIER 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 122.683 2.255 . . . . 0.0 111.659 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.521 ' O ' ' CB ' ' A' ' 55' ' ' SER . 4.2 m-20 -140.87 -64.91 0.45 Allowed 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 24.5 p 110.84 -43.52 0.0 OUTLIER Pre-proline 0 N--CA 1.506 2.371 0 C-N-CA 123.845 0.858 . . . . 0.0 110.477 179.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.412 ' HD3' ' OG ' ' A' ' 55' ' ' SER . 23.7 Cg_exo -64.56 -34.28 53.07 Favored 'Trans proline' 0 N--CA 1.492 1.397 0 CA-C-N 120.944 1.373 . . . . 0.0 109.477 176.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.61 ' O ' ' N ' ' A' ' 60' ' ' ASP . 42.7 tp10 -60.74 -71.45 0.14 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.528 ' C ' ' O ' ' A' ' 57' ' ' GLU . 16.2 ttp 13.21 -82.48 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.346 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 178.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 62' ' ' ARG . 11.6 tptt -50.44 -41.0 52.0 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.751 -1.218 . . . . 0.0 108.795 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' GLU . 1.3 m-20 -54.96 -34.65 63.47 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.512 ' N ' ' O ' ' A' ' 58' ' ' MET . 18.8 t80 -55.94 -36.16 67.45 Favored 'General case' 0 N--CA 1.485 1.316 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 176.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.635 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -51.83 -34.41 40.31 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 106.541 -1.651 . . . . 0.0 106.541 175.683 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.517 ' N ' ' O ' ' A' ' 60' ' ' ASP . 45.7 t60 -53.45 -34.54 58.28 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -68.98 -50.82 32.17 Favored Glycine 0 N--CA 1.495 2.589 0 N-CA-C 108.786 -1.726 . . . . 0.0 108.786 178.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -72.42 -46.85 53.23 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.511 -0.993 . . . . 0.0 108.879 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.635 ' N ' ' O ' ' A' ' 62' ' ' ARG . 32.8 t70 -46.5 -44.84 18.02 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.625 -0.672 . . . . 0.0 109.194 -178.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mm -61.67 -65.96 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.356 0 O-C-N 121.367 -0.833 . . . . 0.0 109.456 179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.5 OUTLIER -56.4 -40.52 74.81 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.115 -0.991 . . . . 0.0 109.157 -179.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.418 HG13 HH22 ' A' ' 34' ' ' ARG . 70.2 t -68.01 -21.36 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 120.966 -1.084 . . . . 0.0 110.0 178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.16 -50.58 12.12 Favored Glycine 0 N--CA 1.5 2.919 0 O-C-N 121.056 -1.027 . . . . 0.0 112.183 -177.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.513 ' NE2' ' C ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -71.63 -28.84 64.06 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.577 -1.543 . . . . 0.0 110.006 -178.525 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.3 mm -58.74 -55.34 23.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.18 -0.95 . . . . 0.0 109.064 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 74' ' ' ASP . 2.4 p30 -60.54 -37.5 81.43 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 178.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' A' ' 73' ' ' ASP . 26.2 t70 -60.05 -19.86 55.03 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 117.891 -1.524 . . . . 0.0 108.042 -179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.86 -34.81 69.52 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 105.04 -2.207 . . . . 0.0 105.04 176.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.5 ' O ' HD23 ' A' ' 76' ' ' LEU . 4.2 tt -58.88 -41.53 87.32 Favored 'General case' 0 N--CA 1.489 1.515 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 177.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -61.9 -46.07 90.97 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-O 122.081 0.943 . . . . 0.0 109.435 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.5 mp -63.19 -52.04 63.94 Favored 'General case' 0 C--N 1.294 -1.815 0 O-C-N 121.711 -0.618 . . . . 0.0 109.575 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.404 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -47.69 -37.86 13.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.134 -0.979 . . . . 0.0 109.41 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.419 ' ND2' ' HG2' ' A' ' 27' ' ' LYS . 2.3 m120 -64.36 -26.22 68.38 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 178.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 78' ' ' LEU . 21.0 tp10 -85.44 6.06 28.41 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.99 37.23 9.38 Favored Glycine 0 N--CA 1.496 2.698 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.08 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -97.24 64.15 1.89 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.942 -1.328 . . . . 0.0 109.25 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 67.2 t -60.39 -53.29 50.86 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.016 0 C-N-CA 120.349 -0.54 . . . . 0.0 110.581 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.79 -50.57 23.46 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.086 -1.009 . . . . 0.0 109.872 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.59 -45.84 81.17 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.71 98.15 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.058 -1.027 . . . . 0.0 108.739 179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.564 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 26.6 mt-30 -63.88 -40.38 96.4 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.56 -40.94 93.5 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.48 -23.56 66.98 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -63.07 -51.55 66.22 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 120.967 -1.083 . . . . 0.0 108.395 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -61.16 -13.13 15.57 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.179 -0.95 . . . . 0.0 110.564 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.631 ' C ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -78.42 -33.2 48.76 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 120.418 -1.426 . . . . 0.0 107.908 179.259 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.521 HD23 HD21 ' A' ' 14' ' ' LEU . 52.6 tp -67.66 -41.53 83.61 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.278 -0.889 . . . . 0.0 108.927 177.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -56.81 -68.65 0.2 Allowed 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 122.032 0.92 . . . . 0.0 109.658 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.6 m -63.49 -23.25 67.32 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.157 -0.965 . . . . 0.0 110.579 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.592 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.4 m -51.41 -65.27 0.58 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.449 -1.407 . . . . 0.0 108.449 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.9 mp -49.32 -50.09 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 O-C-N 121.099 -1.0 . . . . 0.0 109.675 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -61.47 -50.58 72.18 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.573 -1.329 . . . . 0.0 110.805 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.62 -30.46 71.37 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 120.78 -1.2 . . . . 0.0 110.186 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.8 m-30 -71.57 -7.13 45.77 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.2 t30 92.38 65.98 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 104.924 -2.25 . . . . 0.0 104.924 -176.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.513 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.2 OUTLIER 45.75 53.02 9.14 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -176.431 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 32.9 tptt 62.19 -86.61 0.02 OUTLIER 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 113.867 -1.515 . . . . 0.0 109.566 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -145.55 15.59 1.44 Allowed 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.415 -1.428 . . . . 0.0 108.942 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.395 0 CA-C-O 118.049 -1.417 . . . . 0.0 109.687 -179.409 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.396 0.617 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -80.51 166.73 20.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.253 -0.904 . . . . 0.0 109.244 179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.8 mt -49.77 -19.06 0.57 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.238 -0.914 . . . . 0.0 109.909 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -60.99 -15.35 30.67 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.207 -0.933 . . . . 0.0 110.526 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.51 ' O ' ' N ' ' A' ' 8' ' ' GLU . 33.5 p-10 -76.21 -51.58 11.79 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.89 -1.131 . . . . 0.0 110.97 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.624 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -48.55 -39.19 22.63 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 179.495 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.624 ' N ' HD22 ' A' ' 6' ' ' ASN . 3.5 m95 -59.29 -37.34 77.45 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 5' ' ' ASP . 49.4 tt0 -60.15 -49.26 78.34 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.432 -0.793 . . . . 0.0 108.984 -179.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.6 m -53.51 -49.7 66.98 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.76 -30.52 71.61 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 178.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' TRP . 3.4 t-20 -61.97 -66.8 0.48 Allowed 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.537 -1.352 . . . . 0.0 110.025 -178.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -51.28 -20.79 1.8 Allowed 'General case' 0 C--N 1.297 -1.71 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 -179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -68.96 -62.3 1.44 Allowed 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 118.092 -1.443 . . . . 0.0 108.38 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.6 mm? -55.84 -33.16 64.25 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.055 -1.028 . . . . 0.0 108.734 178.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -55.89 -51.58 67.09 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.733 -0.604 . . . . 0.0 110.664 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.638 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.6 t -65.36 -54.83 24.25 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 120.779 -1.201 . . . . 0.0 110.915 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.42 HD11 ' CE ' ' A' ' 33' ' ' MET . 0.2 OUTLIER -48.97 -49.82 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.217 0 O-C-N 120.195 -1.566 . . . . 0.0 108.571 -178.826 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.87 -23.86 54.97 Favored 'General case' 0 C--N 1.299 -1.628 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.517 ' N ' ' O ' ' A' ' 16' ' ' VAL . 9.5 mtpp -129.53 33.47 4.48 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.466 -0.771 . . . . 0.0 110.391 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.638 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.69 -26.38 68.35 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.141 -0.974 . . . . 0.0 110.706 -178.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 69.29 -33.26 0.24 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.502 -0.749 . . . . 0.0 109.443 -178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.783 HD22 HE22 ' A' ' 25' ' ' GLN . 4.9 m-80 -152.38 151.96 31.47 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.366 -0.834 . . . . 0.0 109.48 179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -51.87 -18.79 1.43 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.283 -0.886 . . . . 0.0 109.699 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.28 -54.78 24.01 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.977 -1.077 . . . . 0.0 110.733 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.783 HE22 HD22 ' A' ' 22' ' ' ASN . 1.6 mt-30 -65.11 -16.55 63.61 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.763 -1.211 . . . . 0.0 110.067 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.567 HG23 ' CB ' ' A' ' 20' ' ' ALA . 7.8 t -70.83 -49.91 47.26 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.38 0 O-C-N 120.823 -1.173 . . . . 0.0 107.892 179.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -56.37 -35.3 67.53 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.346 -0.846 . . . . 0.0 109.53 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.66 -62.42 1.67 Allowed 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.786 -0.571 . . . . 0.0 110.194 -179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.469 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -52.16 -47.9 65.2 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.511 -0.743 . . . . 0.0 111.335 -178.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.7 mt -59.27 -31.03 68.72 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.759 -1.213 . . . . 0.0 110.034 -178.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.9 m -68.27 -34.25 75.84 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.566 -1.334 . . . . 0.0 108.441 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 5.8 mmtt -69.83 -36.31 75.49 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 179.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.665 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.8 mtt -55.44 -49.84 71.38 Favored 'General case' 0 C--O 1.202 -1.446 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.557 HH21 HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -41.2 -48.04 3.42 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 121.901 0.858 . . . . 0.0 108.925 179.117 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.26 -53.75 33.12 Favored 'General case' 0 C--N 1.298 -1.654 0 C-N-CA 119.772 -0.771 . . . . 0.0 108.974 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.48 -19.1 65.29 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.458 -0.776 . . . . 0.0 110.291 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.665 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -64.05 -69.13 0.3 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.134 -0.978 . . . . 0.0 110.591 -178.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 4.8 mt -65.01 -24.06 67.4 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 118.827 -1.149 . . . . 0.0 110.027 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -60.66 -39.83 89.84 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 106.102 -1.814 . . . . 0.0 106.102 178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.47 -27.51 69.18 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 177.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.449 ' C ' ' NE2' ' A' ' 41' ' ' GLN . 0.6 OUTLIER -47.39 -37.45 11.37 Favored 'General case' 0 N--CA 1.503 2.215 0 N-CA-C 107.428 -1.323 . . . . 0.0 107.428 178.749 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -90.62 -75.96 0.45 Allowed 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.756 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.82 102.35 10.76 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.16 -0.963 . . . . 0.0 109.559 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.418 ' C ' ' CD ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER -134.88 154.39 79.26 Favored Pre-proline 0 N--CA 1.497 1.907 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.473 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 19.6 Cg_exo -31.1 -41.39 0.09 OUTLIER 'Trans proline' 0 C--N 1.315 -1.2 0 C-N-CA 122.703 2.269 . . . . 0.0 114.869 -178.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 48' ' ' LEU . 39.5 Cg_endo -100.86 -3.98 0.46 Allowed 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 122.94 2.427 . . . . 0.0 111.504 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.589 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 61.96 -8.19 0.1 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.512 -0.742 . . . . 0.0 110.513 179.15 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.658 HD23 ' CD1' ' A' ' 61' ' ' PHE . 2.6 tm? 63.76 -66.87 0.11 Allowed 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -177.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' A' ' 47' ' ' LYS . 34.2 mt-10 -82.79 88.95 6.75 Favored 'General case' 0 N--CA 1.486 1.375 0 O-C-N 121.151 -0.968 . . . . 0.0 108.596 177.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -94.27 -6.52 44.32 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.678 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -166.34 -82.68 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -179.749 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.678 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 14.2 m -171.46 70.0 0.48 Allowed Pre-proline 0 C--N 1.306 -1.298 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 178.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.87 -70.54 0.03 OUTLIER 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 123.001 2.467 . . . . 0.0 111.934 -179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.533 ' O ' ' CB ' ' A' ' 55' ' ' SER . 12.1 t0 -132.72 -60.52 0.87 Allowed 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 53.8 p 115.12 -47.46 0.0 OUTLIER Pre-proline 0 N--CA 1.504 2.229 0 C-N-CA 124.107 0.963 . . . . 0.0 109.767 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.484 ' HD3' ' OG ' ' A' ' 55' ' ' SER . 2.6 Cg_endo -84.31 -25.25 2.2 Favored 'Trans proline' 0 N--CA 1.484 0.97 0 CA-C-N 121.374 1.526 . . . . 0.0 108.699 176.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -66.23 -5.44 10.35 Favored 'General case' 0 N--CA 1.49 1.543 0 CA-C-O 121.554 0.692 . . . . 0.0 109.161 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.461 ' O ' ' N ' ' A' ' 61' ' ' PHE . 9.6 ttt -65.8 -66.54 0.53 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 0.0 110.239 -178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.2 tptt -50.85 -32.42 20.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.582 -1.324 . . . . 0.0 108.671 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -56.82 -35.43 68.78 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 120.317 -1.489 . . . . 0.0 107.037 178.394 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.658 ' CD1' HD23 ' A' ' 48' ' ' LEU . 8.8 t80 -54.97 -42.79 72.84 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 178.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 66' ' ' ASP . 9.3 tmm_? -52.37 -30.65 29.89 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.794 -1.188 . . . . 0.0 107.794 177.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 44.2 t60 -57.15 -33.9 67.88 Favored 'General case' 0 N--CA 1.486 1.343 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 177.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' ' 61' ' ' PHE . . . -70.86 -52.48 14.57 Favored Glycine 0 N--CA 1.497 2.713 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -67.39 -37.61 83.38 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.181 -1.188 . . . . 0.0 108.144 179.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 62' ' ' ARG . 24.9 t70 -50.58 -43.57 56.54 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -178.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.32 -66.22 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.404 -0.81 . . . . 0.0 109.988 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 pp -54.31 -35.49 62.72 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.259 -0.901 . . . . 0.0 109.68 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.557 HG12 HH21 ' A' ' 34' ' ' ARG . 34.0 t -67.28 -21.82 28.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 120.496 -1.377 . . . . 0.0 109.47 178.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.74 -49.96 21.45 Favored Glycine 0 N--CA 1.495 2.626 0 O-C-N 121.222 -0.924 . . . . 0.0 111.123 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -19.41 64.26 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.636 -1.508 . . . . 0.0 109.63 -179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.515 HG22 ' N ' ' A' ' 73' ' ' ASP . 2.0 mt -61.04 -62.7 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.515 ' N ' HG22 ' A' ' 72' ' ' ILE . 2.8 p30 -61.22 -32.93 72.7 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.572 -0.705 . . . . 0.0 110.41 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -60.78 -23.85 65.32 Favored 'General case' 0 C--N 1.297 -1.681 0 C-N-CA 117.494 -1.682 . . . . 0.0 108.802 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.15 -35.49 74.07 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 105.374 -2.084 . . . . 0.0 105.374 176.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.407 ' O ' HD23 ' A' ' 76' ' ' LEU . 4.5 tt -57.3 -40.37 77.69 Favored 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 177.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -62.88 -45.96 90.09 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-O 122.298 1.047 . . . . 0.0 109.754 179.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.593 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.9 mp -63.26 -58.35 7.44 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.604 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.82 -34.7 1.66 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.312 -0.868 . . . . 0.0 110.108 -179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.405 HD21 HD23 ' A' ' 76' ' ' LEU . 2.5 m120 -65.99 -27.62 68.27 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.776 -1.203 . . . . 0.0 107.918 178.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.593 ' N ' ' O ' ' A' ' 78' ' ' LEU . 61.9 tt0 -86.02 3.74 40.96 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.48 39.69 6.24 Favored Glycine 0 N--CA 1.497 2.739 0 O-C-N 121.192 -0.942 . . . . 0.0 111.53 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -98.81 61.88 1.32 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.907 -1.349 . . . . 0.0 109.365 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.7 t -59.75 -48.74 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.597 -0.689 . . . . 0.0 110.377 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -50.73 18.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.079 -1.013 . . . . 0.0 110.098 -179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.3 -42.32 98.46 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.593 -0.692 . . . . 0.0 109.719 -179.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.04 -46.0 92.47 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.03 -1.044 . . . . 0.0 109.239 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.68 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 24.2 mt-30 -63.36 -39.56 94.86 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.106 -0.996 . . . . 0.0 108.358 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.08 94.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.133 -0.979 . . . . 0.0 108.405 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.54 -23.73 66.15 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.68 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -64.22 -49.31 72.47 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.15 -13.09 32.91 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.338 -0.852 . . . . 0.0 109.101 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.589 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -74.52 -41.35 60.78 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 178.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 93' ' ' GLN . 0.2 OUTLIER -70.68 -38.8 73.76 Favored 'General case' 0 C--N 1.297 -1.703 0 C-N-CA 120.041 -0.664 . . . . 0.0 110.059 -179.647 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.6 mttt -53.73 -66.47 0.39 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 120.72 -1.238 . . . . 0.0 108.688 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.1 m -67.99 -17.64 64.49 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.304 -0.873 . . . . 0.0 110.731 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.589 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 14.8 m -50.11 -58.98 4.38 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.439 -1.413 . . . . 0.0 107.462 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.522 ' O ' ' N ' ' A' ' 104' ' ' LYS . 2.1 mp -58.44 -50.06 80.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 O-C-N 121.85 -0.531 . . . . 0.0 109.753 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -59.83 -50.92 71.93 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.305 -1.497 . . . . 0.0 111.029 -178.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.423 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -62.47 -34.09 76.13 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.992 -1.067 . . . . 0.0 110.573 -178.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.531 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.3 m-30 -69.22 0.91 4.2 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.531 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 2.4 t30 88.77 59.31 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.047 0 N-CA-C 104.984 -2.228 . . . . 0.0 104.984 -177.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.544 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.1 OUTLIER 48.3 56.32 7.59 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 105.797 -1.927 . . . . 0.0 105.797 -175.736 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' A' ' 98' ' ' ILE . 22.2 tptt 63.89 -72.06 0.06 Allowed 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 113.469 -1.696 . . . . 0.0 109.924 -178.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.461 ' O ' ' OXT' ' A' ' 106' ' ' GLY . 0.2 OUTLIER -145.31 -28.41 0.45 Allowed 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.006 -1.684 . . . . 0.0 110.085 178.72 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.461 ' OXT' ' O ' ' A' ' 105' ' ' TYR . . . . . . . . 0 N--CA 1.494 2.551 0 CA-C-O 117.709 -1.606 . . . . 0.0 110.747 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.327 0.584 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' ' 5' ' ' ASP . 44.6 m-20 -80.17 175.66 10.45 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.285 -0.884 . . . . 0.0 110.25 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.8 -29.96 3.6 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.557 -0.715 . . . . 0.0 109.865 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -59.04 -7.82 1.24 Allowed 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.002 -1.061 . . . . 0.0 109.664 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' A' ' 8' ' ' GLU . 34.8 p-10 -77.32 -53.24 7.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.998 -1.064 . . . . 0.0 110.668 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.599 HD22 ' N ' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -48.62 -36.8 16.58 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 179.812 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.599 ' N ' HD22 ' A' ' 6' ' ' ASN . 2.6 m95 -59.49 -39.9 85.26 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' A' ' 5' ' ' ASP . 26.9 tt0 -58.81 -47.29 85.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.58 -0.7 . . . . 0.0 109.335 -179.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.6 m -54.4 -55.5 28.01 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.798 -1.189 . . . . 0.0 108.115 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mp -65.22 -25.0 67.5 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.729 -0.607 . . . . 0.0 109.508 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 7' ' ' TRP . 1.1 t-20 -60.57 -66.22 0.56 Allowed 'General case' 0 C--N 1.293 -1.859 0 O-C-N 120.628 -1.295 . . . . 0.0 110.436 -178.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.1 -19.87 5.66 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.866 -0.521 . . . . 0.0 109.731 -178.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -65.72 -53.5 39.95 Favored 'General case' 0 C--N 1.298 -1.663 0 C-N-CA 117.545 -1.662 . . . . 0.0 108.493 -179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.0 mm? -59.96 -32.85 71.21 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.939 -1.101 . . . . 0.0 108.851 178.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -57.75 -50.73 72.24 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.806 -0.559 . . . . 0.0 110.958 -178.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.632 ' O ' ' N ' ' A' ' 20' ' ' ALA . 1.4 t -65.29 -53.47 40.0 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 O-C-N 120.419 -1.426 . . . . 0.0 110.477 -178.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 16' ' ' VAL . 0.0 OUTLIER -50.72 -47.59 28.48 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.144 0 O-C-N 120.132 -1.605 . . . . 0.0 107.858 -179.399 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.44 -31.99 64.49 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' VAL . 8.9 mtpp -127.28 42.07 3.39 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.632 -0.668 . . . . 0.0 109.609 -178.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.632 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.38 -30.23 71.27 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.267 -0.896 . . . . 0.0 110.589 -178.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 71.28 -34.32 0.3 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.486 -0.759 . . . . 0.0 109.179 -178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.816 HD22 HE22 ' A' ' 25' ' ' GLN . 11.2 m-80 -153.26 150.08 28.59 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.277 -0.889 . . . . 0.0 109.694 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.6 -20.6 3.13 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.303 -0.873 . . . . 0.0 109.822 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.25 -51.92 52.79 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.099 -1.001 . . . . 0.0 110.37 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.816 HE22 HD22 ' A' ' 22' ' ' ASN . 1.9 mt-30 -65.98 -15.45 63.02 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.939 -1.101 . . . . 0.0 110.455 -178.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.511 HG23 ' CB ' ' A' ' 20' ' ' ALA . 9.6 t -70.22 -53.53 22.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' CE ' ' ND2' ' A' ' 80' ' ' ASN . 4.0 mtpm? -52.14 -35.24 47.89 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 121.901 0.858 . . . . 0.0 109.097 179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.66 -62.13 2.1 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.454 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -54.58 -49.72 69.72 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.539 -0.725 . . . . 0.0 110.911 -178.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.19 -32.19 68.01 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.866 -1.146 . . . . 0.0 109.89 -178.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.1 m -67.25 -34.14 76.81 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 120.952 -1.093 . . . . 0.0 108.938 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 6.2 mmtt -71.62 -37.97 70.83 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 178.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.703 ' O ' ' N ' ' A' ' 37' ' ' ALA . 5.1 mtt -55.66 -42.81 75.6 Favored 'General case' 0 C--O 1.199 -1.601 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 178.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.566 HH21 HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.63 -51.06 22.72 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.852 -1.155 . . . . 0.0 108.228 178.74 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.72 -53.73 17.1 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-O 121.549 0.69 . . . . 0.0 109.335 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.46 -21.31 66.62 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.422 -0.799 . . . . 0.0 109.819 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.703 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -65.06 -70.03 0.26 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.251 -0.905 . . . . 0.0 110.364 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 41' ' ' GLN . 6.4 mt -63.04 -25.02 68.19 Favored 'General case' 0 N--CA 1.488 1.471 0 C-N-CA 118.961 -1.096 . . . . 0.0 108.923 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -59.77 -36.17 76.12 Favored 'General case' 0 N--CA 1.484 1.237 0 N-CA-C 105.148 -2.167 . . . . 0.0 105.148 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 37' ' ' ALA . . . -63.12 -28.42 70.05 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 176.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.511 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.5 OUTLIER -50.31 -24.5 2.99 Favored 'General case' 0 N--CA 1.504 2.254 0 N-CA-C 106.245 -1.761 . . . . 0.0 106.245 177.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.3 mtpt -114.86 139.35 49.84 Favored 'General case' 0 N--CA 1.49 1.572 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 42' ' ' LYS . . . 63.3 97.5 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.966 -1.083 . . . . 0.0 109.981 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 40' ' ' ALA . 15.7 p -140.39 157.56 68.21 Favored Pre-proline 0 N--CA 1.49 1.526 0 O-C-N 121.318 -0.864 . . . . 0.0 109.341 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.409 ' N ' ' CD ' ' A' ' 46' ' ' PRO . 43.5 Cg_exo -36.05 -40.76 0.45 Allowed 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.943 1.762 . . . . 0.0 113.03 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' O ' ' N ' ' A' ' 48' ' ' LEU . 19.2 Cg_endo -100.1 8.4 0.71 Allowed 'Trans proline' 0 C--N 1.319 -1.003 0 C-N-CA 123.076 2.517 . . . . 0.0 111.447 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.707 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 41.75 19.99 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.963 -0.461 . . . . 0.0 109.767 -179.57 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.726 HD23 ' CD1' ' A' ' 61' ' ' PHE . 2.3 tm? 37.73 -79.44 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.397 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -178.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.707 ' N ' ' O ' ' A' ' 47' ' ' LYS . 29.6 mp0 -60.1 81.02 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.298 0 O-C-N 121.121 -0.987 . . . . 0.0 108.655 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 48' ' ' LEU . 52.0 t0 -99.2 79.74 2.36 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.536 ' O ' ' CB ' ' A' ' 52' ' ' SER . 12.5 pttt 105.25 -10.06 0.02 OUTLIER 'General case' 0 N--CA 1.521 3.092 0 C-N-CA 123.999 0.919 . . . . 0.0 110.047 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.536 ' CB ' ' O ' ' A' ' 51' ' ' LYS . 1.4 t 90.71 70.46 0.04 OUTLIER Pre-proline 0 N--CA 1.493 1.682 0 CA-C-O 121.391 0.615 . . . . 0.0 109.506 -178.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.432 ' HD3' ' H ' ' A' ' 52' ' ' SER . 52.9 Cg_exo -55.91 -74.91 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 123.133 2.555 . . . . 0.0 111.777 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.535 ' O ' ' CB ' ' A' ' 55' ' ' SER . 13.7 m-20 -133.36 -56.89 0.9 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 55.5 p 113.44 -42.94 0.0 OUTLIER Pre-proline 0 N--CA 1.508 2.458 0 C-N-CA 123.795 0.838 . . . . 0.0 111.558 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.46 ' C ' ' H ' ' A' ' 58' ' ' MET . 7.0 Cg_exo -73.72 -44.96 0.43 Allowed 'Trans proline' 0 N--CA 1.489 1.262 0 CA-C-N 121.485 1.566 . . . . 0.0 109.485 177.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -0.93 0.44 Allowed 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.495 ' SD ' ' OE2' ' A' ' 49' ' ' GLU . 21.2 ttp -63.72 -54.1 40.71 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 120.993 -1.067 . . . . 0.0 108.76 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -54.54 -31.29 56.18 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 120.485 -1.385 . . . . 0.0 107.886 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -55.15 -34.4 63.75 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.726 ' CD1' HD23 ' A' ' 48' ' ' LEU . 20.2 t80 -57.77 -46.66 84.26 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 66' ' ' ASP . 3.2 tmt_? -51.75 -35.11 42.2 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 177.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -54.17 -40.75 67.79 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.116 -0.99 . . . . 0.0 108.466 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -65.58 -47.16 80.22 Favored Glycine 0 N--CA 1.497 2.728 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -68.75 -35.5 77.17 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 178.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 62' ' ' ARG . 22.8 t70 -51.28 -47.61 62.47 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -177.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.9 mt -64.17 -63.05 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.189 -0.944 . . . . 0.0 109.893 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.511 ' C ' HD12 ' A' ' 68' ' ' LEU . 0.7 OUTLIER -53.34 -39.0 63.76 Favored 'General case' 0 N--CA 1.486 1.326 0 O-C-N 121.248 -0.907 . . . . 0.0 109.336 -178.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.703 ' HA ' HD12 ' A' ' 72' ' ' ILE . 34.1 t -68.23 -22.11 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.755 -1.215 . . . . 0.0 109.932 178.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.0 -52.64 13.2 Favored Glycine 0 N--CA 1.498 2.796 0 O-C-N 121.006 -1.058 . . . . 0.0 111.745 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.43 HE21 ' HB2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -66.67 -20.66 66.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.764 -1.433 . . . . 0.0 109.559 -178.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.703 HD12 ' HA ' ' A' ' 69' ' ' VAL . 19.1 mt -60.16 -63.44 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 178.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 76' ' ' LEU . 2.2 p30 -59.88 -34.88 73.76 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.478 -0.764 . . . . 0.0 110.099 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' A' ' 74' ' ' ASP . 31.5 t0 -60.17 -20.42 58.45 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 119.906 -1.746 . . . . 0.0 107.931 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.29 -34.86 68.48 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 176.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.485 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 6.0 tt -57.48 -39.25 75.99 Favored 'General case' 0 N--CA 1.493 1.685 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 177.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -63.2 -46.2 88.17 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-O 122.248 1.023 . . . . 0.0 109.711 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.7 mp -65.4 -55.43 18.14 Favored 'General case' 0 C--N 1.29 -1.993 0 O-C-N 121.779 -0.576 . . . . 0.0 109.981 -179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.467 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -45.27 -37.73 4.97 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.052 -1.03 . . . . 0.0 110.005 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 1.0 OUTLIER -64.86 -27.93 69.2 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 107.829 -1.175 . . . . 0.0 107.829 178.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 78' ' ' LEU . 28.7 tt0 -85.09 6.1 26.93 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 85.85 41.06 7.34 Favored Glycine 0 N--CA 1.497 2.742 0 O-C-N 121.134 -0.979 . . . . 0.0 111.136 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.406 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 20.0 mmtp -100.11 54.53 0.91 Allowed 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.965 -1.315 . . . . 0.0 109.8 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.4 t -59.29 -39.87 79.94 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 O-C-N 121.522 -0.736 . . . . 0.0 109.334 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -52.29 10.14 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.165 -0.96 . . . . 0.0 109.895 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.15 -41.21 99.23 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -60.26 -46.03 91.24 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 0.0 109.296 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.687 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 24.8 mt-30 -64.2 -38.69 91.94 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.044 -1.035 . . . . 0.0 108.328 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.91 -40.03 96.33 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.96 -22.88 64.88 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -63.59 -47.52 81.14 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -63.0 -13.69 38.39 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.413 -0.805 . . . . 0.0 109.301 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.547 ' NE2' ' OG1' ' A' ' 97' ' ' THR . 0.0 OUTLIER -77.81 -43.22 31.18 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 179.374 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.518 HD13 HD11 ' A' ' 72' ' ' ILE . 60.1 tp -68.81 -41.32 78.82 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.375 -0.828 . . . . 0.0 109.607 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -56.24 -72.39 0.08 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.407 -0.808 . . . . 0.0 110.608 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -20.52 66.19 Favored 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.082 -1.011 . . . . 0.0 110.675 -178.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.547 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.1 m -49.88 -58.87 4.54 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.583 -1.323 . . . . 0.0 107.696 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.551 HG23 ' HB2' ' A' ' 104' ' ' LYS . 2.3 mp -56.5 -51.65 62.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.373 0 O-C-N 121.538 -0.726 . . . . 0.0 109.049 178.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -59.32 -51.12 71.28 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 120.627 -1.295 . . . . 0.0 110.699 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.24 -28.47 70.05 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.012 -1.055 . . . . 0.0 110.032 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.3 m-30 -71.59 -2.26 16.43 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' TYR . 1.6 t30 89.56 61.03 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 104.775 -2.306 . . . . 0.0 104.775 -177.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.553 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.2 OUTLIER 48.35 55.85 8.29 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 -176.051 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.551 ' HB2' HG23 ' A' ' 98' ' ' ILE . 26.2 tptt 61.44 -83.73 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 113.609 -1.632 . . . . 0.0 108.941 -178.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -147.88 10.14 0.91 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 120.264 -1.523 . . . . 0.0 109.14 178.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.024 0 CA-C-O 117.882 -1.51 . . . . 0.0 109.773 -179.144 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.338 0.59 . . . . 0.0 109.488 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -82.21 -153.25 0.11 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.371 -0.831 . . . . 0.0 109.745 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.08 91.73 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.345 -0.847 . . . . 0.0 108.859 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -174.29 -35.92 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -77.21 -28.51 53.85 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.02 -41.49 87.88 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 105.72 -1.955 . . . . 0.0 105.72 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.4 ' O ' ' N ' ' A' ' 11' ' ' ASN . 2.2 m95 -59.88 -37.19 78.64 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-N 114.805 -1.088 . . . . 0.0 109.064 178.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -56.93 -44.78 82.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.36 -0.838 . . . . 0.0 109.62 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.465 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 2.0 m -54.72 -52.91 61.0 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 178.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.43 -26.84 68.14 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.65 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.4 OUTLIER -61.01 -66.3 0.56 Allowed 'General case' 0 C--N 1.29 -1.995 0 O-C-N 120.37 -1.456 . . . . 0.0 110.133 -178.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.04 -19.92 5.59 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 121.795 -0.566 . . . . 0.0 110.02 -178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 9' ' ' THR . 8.0 m-80 -65.28 -58.13 6.72 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 117.96 -1.496 . . . . 0.0 108.987 -178.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.593 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.3 mm? -58.58 -32.46 68.97 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.021 -1.049 . . . . 0.0 108.584 179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 23.4 ttpt -59.03 -47.12 86.37 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.809 -0.557 . . . . 0.0 109.878 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.611 ' O ' ' N ' ' A' ' 20' ' ' ALA . 21.8 t -68.33 -56.21 13.42 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 O-C-N 120.792 -1.193 . . . . 0.0 111.077 -178.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.661 HD11 ' CE ' ' A' ' 33' ' ' MET . 0.1 OUTLIER -50.36 -46.25 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.391 0 O-C-N 119.859 -1.776 . . . . 0.0 107.766 -179.587 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 5.6 mm-40 -56.16 -28.04 56.54 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 178.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 16' ' ' VAL . 12.1 mtpt -127.76 34.92 4.56 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.661 -0.65 . . . . 0.0 110.235 -178.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.611 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -64.1 -18.93 64.88 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.063 -1.023 . . . . 0.0 110.373 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 67.16 -36.15 0.27 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.594 -0.691 . . . . 0.0 109.857 -179.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.783 HD22 HE22 ' A' ' 25' ' ' GLN . 15.5 m-80 -149.78 149.39 30.46 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.17 -0.956 . . . . 0.0 109.634 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.45 -17.92 2.32 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.422 -0.799 . . . . 0.0 110.005 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.91 -52.52 42.28 Favored 'General case' 0 C--N 1.301 -1.5 0 O-C-N 120.824 -1.172 . . . . 0.0 109.951 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.783 HE22 HD22 ' A' ' 22' ' ' ASN . 1.4 mt-30 -65.69 -18.18 65.14 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.996 -1.065 . . . . 0.0 110.068 -179.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.478 HG23 ' CB ' ' A' ' 20' ' ' ALA . 20.6 t -67.36 -47.63 80.37 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -55.12 -45.62 75.55 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.36 -0.837 . . . . 0.0 109.535 179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -60.42 -64.43 0.95 Allowed 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.221 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 28' ' ' ASP . . . -40.12 -53.75 2.39 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.146 0.498 . . . . 0.0 111.189 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.0 mt -60.12 -36.61 77.86 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.964 -1.085 . . . . 0.0 109.792 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 51.7 m -63.92 -29.19 70.38 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.763 -1.211 . . . . 0.0 108.039 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 28' ' ' ASP . 7.7 mmtt -71.72 -40.21 69.61 Favored 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 177.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.688 ' O ' ' N ' ' A' ' 37' ' ' ALA . 4.0 mtm -57.99 -47.99 81.36 Favored 'General case' 0 C--O 1.2 -1.532 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 178.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 33' ' ' MET . 0.0 OUTLIER -39.22 -50.0 1.91 Allowed 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.839 0.828 . . . . 0.0 108.902 179.089 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -51.46 58.65 Favored 'General case' 0 C--N 1.297 -1.699 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.24 -20.25 65.65 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.22 -0.925 . . . . 0.0 109.343 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.688 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.71 -71.18 0.21 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.461 -0.775 . . . . 0.0 110.479 -178.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.19 -18.31 63.35 Favored 'General case' 0 C--N 1.303 -1.435 0 C-N-CA 118.944 -1.102 . . . . 0.0 109.217 -178.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -63.16 -41.53 99.27 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 105.798 -1.927 . . . . 0.0 105.798 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.86 -29.27 69.43 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -48.59 -36.73 16.26 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 106.957 -1.498 . . . . 0.0 106.957 178.216 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -84.58 -76.98 0.29 Allowed 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.28 103.24 14.69 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.042 -1.036 . . . . 0.0 109.808 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -134.21 152.72 78.75 Favored Pre-proline 0 N--CA 1.498 1.934 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -34.68 -42.26 0.31 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.498 2.132 . . . . 0.0 114.818 -177.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -98.82 -4.97 0.76 Allowed 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 123.318 2.679 . . . . 0.0 113.336 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.58 ' O ' ' N ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER 51.5 34.8 12.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.85 -1.156 . . . . 0.0 108.582 -179.261 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.529 HD23 ' CD1' ' A' ' 61' ' ' PHE . 1.0 OUTLIER 60.57 -70.61 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -178.653 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.58 ' N ' ' O ' ' A' ' 47' ' ' LYS . 8.2 mm-40 -122.6 -166.88 1.49 Allowed 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -103.36 18.19 22.38 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.058 -1.026 . . . . 0.0 110.633 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.671 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.1 OUTLIER -163.76 -94.62 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.46 -1.4 . . . . 0.0 110.965 -179.641 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.671 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 2.4 m -174.0 78.28 0.37 Allowed Pre-proline 0 N--CA 1.489 1.504 0 O-C-N 120.965 -1.084 . . . . 0.0 109.051 -178.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -45.49 -76.69 0.03 OUTLIER 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 123.067 2.511 . . . . 0.0 112.639 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.55 ' O ' ' CB ' ' A' ' 55' ' ' SER . 1.5 m-20 -124.53 -48.91 1.79 Allowed 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 52.2 p 112.53 -44.37 0.0 OUTLIER Pre-proline 0 N--CA 1.504 2.237 0 C-N-CA 123.858 0.863 . . . . 0.0 111.201 178.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -75.19 -30.22 7.12 Favored 'Trans proline' 0 N--CA 1.491 1.327 0 CA-C-N 121.872 1.704 . . . . 0.0 109.586 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -72.46 -15.53 61.81 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.621 0.724 . . . . 0.0 109.126 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.6 ttt -63.97 -33.78 76.51 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 62' ' ' ARG . 0.5 OUTLIER -56.35 -37.25 69.77 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 107.138 -1.431 . . . . 0.0 107.138 178.056 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 63' ' ' HIS . 27.1 t0 -53.46 -42.65 67.39 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CD1' HD23 ' A' ' 48' ' ' LEU . 22.2 t80 -53.53 -31.55 46.74 Favored 'General case' 0 C--N 1.301 -1.542 0 C-N-CA 118.221 -1.391 . . . . 0.0 107.563 177.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 66' ' ' ASP . 3.4 ttm180 -55.18 -34.95 64.31 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 176.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 60' ' ' ASP . 73.3 t60 -49.77 -31.25 11.11 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -70.34 -54.39 11.01 Favored Glycine 0 N--CA 1.496 2.641 0 N-CA-C 108.773 -1.731 . . . . 0.0 108.773 177.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 66' ' ' ASP . 4.3 m-85 -70.07 -44.29 69.42 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.147 -1.208 . . . . 0.0 108.773 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 62' ' ' ARG . 10.5 t70 -42.17 -41.51 2.7 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-O 121.476 0.655 . . . . 0.0 109.277 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.5 mm -67.36 -62.32 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 O-C-N 121.208 -0.932 . . . . 0.0 110.513 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.0 pp -57.33 -46.88 82.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.835 -1.166 . . . . 0.0 110.956 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.481 ' HA ' HD12 ' A' ' 72' ' ' ILE . 9.2 m -62.77 -18.58 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.126 -1.609 . . . . 0.0 109.76 179.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.43 -44.11 75.01 Favored Glycine 0 N--CA 1.495 2.591 0 N-CA-C 110.149 -1.181 . . . . 0.0 110.149 -179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.658 ' NE2' ' OE1' ' A' ' 93' ' ' GLN . 0.4 OUTLIER -71.69 -28.05 63.45 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.72 -1.459 . . . . 0.0 109.73 -179.855 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.739 HD11 HD13 ' A' ' 94' ' ' LEU . 78.0 mt -60.43 -54.75 30.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -58.51 -35.92 73.0 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 178.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -60.56 -23.58 64.74 Favored 'General case' 0 C--N 1.292 -1.893 0 C-N-CA 117.552 -1.659 . . . . 0.0 108.839 -178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.67 -32.59 68.03 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 177.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.576 ' O ' HD23 ' A' ' 76' ' ' LEU . 4.4 tt -59.73 -37.9 80.19 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 177.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -64.7 -46.24 83.21 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 122.32 1.057 . . . . 0.0 110.02 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.636 ' O ' ' N ' ' A' ' 81' ' ' GLU . 5.4 mp -62.83 -61.02 2.69 Favored 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.787 -179.168 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.419 ' HB2' HG11 ' A' ' 26' ' ' VAL . . . -42.96 -31.72 0.55 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.171 -0.956 . . . . 0.0 110.169 -179.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.448 HD21 HD23 ' A' ' 76' ' ' LEU . 2.9 m120 -66.09 -29.34 69.65 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 178.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.636 ' N ' ' O ' ' A' ' 78' ' ' LEU . 27.1 tp10 -84.38 0.43 49.38 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 178.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.19 45.23 5.11 Favored Glycine 0 N--CA 1.498 2.786 0 O-C-N 120.947 -1.096 . . . . 0.0 111.614 178.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 17.9 mmtt -101.5 70.61 1.3 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.984 -1.303 . . . . 0.0 108.951 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.62 -55.39 24.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.423 -0.798 . . . . 0.0 111.234 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -48.92 41.71 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.822 -1.174 . . . . 0.0 109.999 -178.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.37 -44.03 95.99 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.469 -0.769 . . . . 0.0 109.938 -179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 83' ' ' LYS . . . -63.6 -42.8 98.21 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.882 -1.136 . . . . 0.0 108.869 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.504 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 27.3 mt-30 -65.4 -41.41 93.69 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.03 -36.42 83.5 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 178.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.14 -30.27 71.18 Favored 'General case' 0 C--O 1.205 -1.262 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 177.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -62.7 -38.94 92.42 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 120.83 -1.169 . . . . 0.0 108.355 178.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -69.81 -16.73 63.33 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.797 -1.19 . . . . 0.0 110.796 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.658 ' OE1' ' NE2' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -76.89 -30.3 56.13 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 179.157 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.739 HD13 HD11 ' A' ' 72' ' ' ILE . 28.4 tp -68.33 -42.82 78.75 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-O 121.956 0.884 . . . . 0.0 108.916 177.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.8 mtpt -55.41 -68.89 0.16 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.388 -0.82 . . . . 0.0 109.578 -179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.99 -16.99 64.72 Favored 'General case' 0 C--N 1.298 -1.639 0 C-N-CA 119.652 -0.819 . . . . 0.0 110.274 -178.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.594 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.4 m -52.08 -58.51 6.34 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.154 -1.591 . . . . 0.0 107.634 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.606 HG23 ' HB2' ' A' ' 104' ' ' LYS . 2.6 mp -58.21 -49.28 82.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 121.151 -0.968 . . . . 0.0 108.734 178.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -60.74 -49.14 78.7 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 120.668 -1.27 . . . . 0.0 110.778 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.468 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -64.94 -32.96 74.93 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.008 -1.058 . . . . 0.0 110.633 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.466 ' O ' ' CB ' ' A' ' 102' ' ' ASN . 3.0 m-30 -68.1 -2.5 7.98 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 179.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.468 ' H ' ' C ' ' A' ' 100' ' ' ALA . 1.7 t30 89.16 68.25 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 104.476 -2.416 . . . . 0.0 104.476 -176.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.557 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.0 OUTLIER 42.95 55.65 4.35 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -176.219 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.606 ' HB2' HG23 ' A' ' 98' ' ' ILE . 4.3 tptp 62.15 -88.5 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 114.058 -1.428 . . . . 0.0 109.554 -179.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -143.1 17.4 1.92 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 120.453 -1.405 . . . . 0.0 109.502 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 CA-C-O 117.98 -1.455 . . . . 0.0 109.478 -179.491 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.455 0.645 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.501 ' CG ' ' H ' ' A' ' 3' ' ' LEU . 32.4 t0 -77.94 -156.61 0.09 Allowed 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.533 -0.729 . . . . 0.0 109.512 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.501 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -49.16 -24.38 1.67 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.318 -0.864 . . . . 0.0 108.905 179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -60.32 -24.02 64.67 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.33 -0.856 . . . . 0.0 110.247 -179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 8' ' ' GLU . 26.1 t0 -77.41 -44.58 28.7 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.83 -1.169 . . . . 0.0 110.529 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -51.66 -38.35 54.51 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 105.915 -1.883 . . . . 0.0 105.915 179.169 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.494 ' HE1' ' HG3' ' A' ' 45' ' ' PRO . 2.7 m95 -60.27 -35.99 76.8 Favored 'General case' 0 C--N 1.305 -1.35 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 177.303 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 5' ' ' ASP . 31.9 tt0 -58.95 -49.92 76.01 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.431 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 6.1 m -53.44 -52.66 58.74 Favored 'General case' 0 N--CA 1.489 1.482 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -62.42 -26.6 68.58 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-O 121.441 0.639 . . . . 0.0 109.523 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 7' ' ' TRP . 0.6 OUTLIER -64.42 -67.11 0.46 Allowed 'General case' 0 C--N 1.296 -1.734 0 O-C-N 120.693 -1.255 . . . . 0.0 109.947 -179.106 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -52.95 -17.69 1.56 Allowed 'General case' 0 C--N 1.301 -1.504 0 C-N-CA 120.352 -0.539 . . . . 0.0 109.676 -179.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 9' ' ' THR . 7.2 m-80 -66.87 -58.69 4.51 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 117.819 -1.552 . . . . 0.0 108.18 -179.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.574 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.7 mm? -57.41 -35.6 70.26 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.066 -1.021 . . . . 0.0 108.888 178.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.4 ttpt -52.8 -51.34 61.15 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.7 -0.625 . . . . 0.0 110.896 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.622 ' O ' ' N ' ' A' ' 20' ' ' ALA . 2.3 t -66.38 -53.49 35.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 O-C-N 120.695 -1.253 . . . . 0.0 110.95 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -50.29 -51.59 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 120.154 -1.591 . . . . 0.0 108.665 -178.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -57.09 -20.33 24.73 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.108 -1.037 . . . . 0.0 108.282 178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 16' ' ' VAL . 19.4 mtpt -129.56 31.44 4.78 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.428 -0.795 . . . . 0.0 110.359 -179.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.622 ' N ' ' O ' ' A' ' 16' ' ' VAL . . . -63.53 -25.2 68.14 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.912 -1.118 . . . . 0.0 110.682 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 69.5 -31.92 0.22 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.489 -0.757 . . . . 0.0 109.664 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.693 HD22 HE22 ' A' ' 25' ' ' GLN . 4.9 m-80 -152.74 152.15 31.34 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.069 -1.019 . . . . 0.0 109.79 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.12 -18.02 1.3 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.247 -0.908 . . . . 0.0 109.264 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.39 -58.9 4.3 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.135 -0.978 . . . . 0.0 110.376 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.693 HE22 HD22 ' A' ' 22' ' ' ASN . 0.9 OUTLIER -66.6 -11.46 53.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.831 -1.168 . . . . 0.0 110.513 -178.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.539 HG23 ' CB ' ' A' ' 20' ' ' ALA . 4.0 t -69.96 -60.4 2.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 O-C-N 120.875 -1.14 . . . . 0.0 108.261 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -58.25 -29.0 65.41 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.398 -0.814 . . . . 0.0 110.126 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -61.37 -60.69 3.34 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 120.942 -1.099 . . . . 0.0 108.592 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.486 ' HB2' ' CG1' ' A' ' 16' ' ' VAL . . . -51.32 -42.87 61.51 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.491 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.0 mt -61.57 -35.96 79.28 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.765 -1.209 . . . . 0.0 110.03 -179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.6 m -63.46 -29.58 70.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.702 -1.249 . . . . 0.0 108.158 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -73.43 -38.74 65.44 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.658 ' O ' ' N ' ' A' ' 37' ' ' ALA . 2.4 mtt -58.17 -42.05 85.2 Favored 'General case' 0 C--O 1.202 -1.421 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 178.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.459 HH12 HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -47.88 -46.46 31.56 Favored 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 178.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.67 -52.23 40.41 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.41 -20.76 66.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.43 -0.794 . . . . 0.0 109.69 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.658 ' N ' ' O ' ' A' ' 33' ' ' MET . . . -66.6 -73.1 0.14 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.885 . . . . 0.0 110.797 -178.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 41' ' ' GLN . 5.8 mt -63.53 -26.81 68.88 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.619 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.11 -39.13 85.13 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 106.35 -1.722 . . . . 0.0 106.35 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 44' ' ' THR . . . -60.31 -31.73 70.54 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 177.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.431 ' CB ' ' O ' ' A' ' 38' ' ' LEU . 0.4 OUTLIER -45.98 -39.3 8.8 Favored 'General case' 0 N--CA 1.503 2.194 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -92.14 7.88 40.46 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.535 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.06 107.11 0.94 Allowed 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 40' ' ' ALA . 72.3 p -133.66 153.58 80.22 Favored Pre-proline 0 N--CA 1.487 1.381 0 O-C-N 121.419 -0.801 . . . . 0.0 109.762 -177.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.494 ' HG3' ' HE1' ' A' ' 7' ' ' TRP . 54.6 Cg_exo -37.98 -42.13 1.37 Allowed 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.084 1.856 . . . . 0.0 112.65 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.556 ' O ' ' O ' ' A' ' 47' ' ' LYS . 38.3 Cg_endo -101.25 5.85 0.59 Allowed 'Trans proline' 0 C--N 1.314 -1.274 0 C-N-CA 123.294 2.663 . . . . 0.0 110.585 178.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.556 ' O ' ' O ' ' A' ' 46' ' ' PRO . 0.0 OUTLIER 36.32 111.83 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.428 0.632 . . . . 0.0 111.26 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.017 HD13 ' H ' ' A' ' 49' ' ' GLU . 0.4 OUTLIER -54.97 174.81 0.07 Allowed 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 105.634 -1.987 . . . . 0.0 105.634 177.452 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 1.017 ' H ' HD13 ' A' ' 48' ' ' LEU . 32.6 mt-10 67.45 -72.12 0.09 Allowed 'General case' 0 C--N 1.292 -1.899 0 O-C-N 120.917 -1.114 . . . . 0.0 108.813 -178.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' LEU . 11.1 t70 60.58 -14.24 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.16 -0.962 . . . . 0.0 109.279 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.687 ' CG ' ' H ' ' A' ' 52' ' ' SER . 0.3 OUTLIER -163.12 -87.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 179.451 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.687 ' H ' ' CG ' ' A' ' 51' ' ' LYS . 4.2 m -174.46 68.58 0.3 Allowed Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 120.604 -1.31 . . . . 0.0 110.856 179.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.33 -73.31 0.02 OUTLIER 'Trans proline' 0 N--CA 1.496 1.666 0 C-N-CA 122.584 2.189 . . . . 0.0 111.061 178.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.547 ' O ' ' CB ' ' A' ' 55' ' ' SER . 7.5 m-20 -137.44 -54.55 0.68 Allowed 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.547 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 60.3 p 114.39 -43.52 0.0 OUTLIER Pre-proline 0 N--CA 1.509 2.48 0 C-N-CA 123.889 0.876 . . . . 0.0 111.449 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.427 ' C ' ' H ' ' A' ' 58' ' ' MET . 5.1 Cg_exo -78.77 -42.9 0.18 Allowed 'Trans proline' 0 N--CA 1.491 1.35 0 CA-C-N 121.557 1.592 . . . . 0.0 110.098 177.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -54.33 -9.11 0.26 Allowed 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.411 0.624 . . . . 0.0 109.662 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.427 ' H ' ' C ' ' A' ' 56' ' ' PRO . 29.2 ttp -64.05 -45.56 88.28 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.069 -1.019 . . . . 0.0 108.677 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -53.37 -33.05 52.16 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 120.52 -1.362 . . . . 0.0 108.112 179.044 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 63' ' ' HIS . 8.4 t0 -54.05 -41.15 67.78 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.494 ' CD2' HD23 ' A' ' 48' ' ' LEU . 10.3 t80 -54.46 -32.65 58.09 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 177.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.577 ' O ' ' N ' ' A' ' 66' ' ' ASP . 20.7 ttp180 -55.41 -37.55 67.76 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 176.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 60' ' ' ASP . 30.5 t60 -51.14 -41.96 60.44 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.15 -44.27 77.16 Favored Glycine 0 N--CA 1.501 3.027 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -70.15 -37.87 75.35 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 62' ' ' ARG . 16.8 t70 -49.09 -40.78 33.25 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 -178.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.5 mt -66.35 -64.97 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.293 -0.879 . . . . 0.0 109.3 178.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.2 pp -55.59 -41.32 73.24 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 119.365 -0.934 . . . . 0.0 109.657 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.459 HG12 HH12 ' A' ' 34' ' ' ARG . 66.0 t -67.06 -24.98 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 O-C-N 120.892 -1.13 . . . . 0.0 110.155 179.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -72.65 -45.18 36.82 Favored Glycine 0 N--CA 1.495 2.586 0 O-C-N 121.125 -0.984 . . . . 0.0 111.396 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.556 ' NE2' ' OE1' ' A' ' 93' ' ' GLN . 1.6 pt20 -70.6 -28.48 64.89 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.762 -1.434 . . . . 0.0 110.539 -178.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.534 HD11 HD13 ' A' ' 94' ' ' LEU . 71.2 mt -60.3 -55.46 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 76' ' ' LEU . 23.9 t0 -58.08 -40.1 80.2 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.492 -0.755 . . . . 0.0 109.002 178.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.93 -20.56 24.17 Favored 'General case' 0 C--N 1.297 -1.702 0 C-N-CA 117.473 -1.691 . . . . 0.0 108.408 -178.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.01 -35.23 69.38 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 176.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.545 ' O ' ' ND2' ' A' ' 80' ' ' ASN . 7.1 tt -58.27 -39.5 79.39 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 ttpp -63.73 -45.5 89.6 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-O 122.337 1.065 . . . . 0.0 109.865 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.548 ' O ' ' N ' ' A' ' 81' ' ' GLU . 4.1 mp -62.88 -57.86 9.37 Favored 'General case' 0 C--N 1.29 -2.014 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.495 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HA ' ' H ' ' A' ' 83' ' ' LYS . . . -46.72 -37.82 9.01 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.177 -0.952 . . . . 0.0 109.797 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 76' ' ' LEU . 2.3 m120 -59.96 -27.65 66.99 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 78' ' ' LEU . 71.7 tt0 -86.65 3.39 44.81 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.3 37.94 7.99 Favored Glycine 0 N--CA 1.495 2.611 0 C-N-CA 120.723 -0.751 . . . . 0.0 111.385 178.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.435 ' H ' ' HA ' ' A' ' 79' ' ' ALA . 11.0 mmpt? -95.66 65.84 2.67 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.817 -1.402 . . . . 0.0 109.615 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 51.9 t -62.57 -44.27 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.261 -0.9 . . . . 0.0 110.497 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.412 ' H ' ' HG3' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -73.19 -54.07 9.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.224 -0.922 . . . . 0.0 110.177 -179.099 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -42.07 91.74 Favored 'General case' 0 C--N 1.29 -1.998 0 O-C-N 121.764 -0.585 . . . . 0.0 109.637 -179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.34 92.16 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.004 -1.06 . . . . 0.0 109.275 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.687 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 28.2 mt-30 -65.13 -47.01 78.62 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.232 -0.917 . . . . 0.0 108.751 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.19 97.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.093 -1.004 . . . . 0.0 108.489 179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.02 -25.69 67.08 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.687 ' HB3' ' O ' ' A' ' 88' ' ' GLN . . . -62.16 -42.72 99.54 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -65.62 -12.66 55.22 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.57 -0.706 . . . . 0.0 109.76 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.675 ' C ' HE21 ' A' ' 93' ' ' GLN . 0.0 OUTLIER -78.23 -33.02 50.09 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 178.626 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.534 HD13 HD11 ' A' ' 72' ' ' ILE . 21.5 tp -67.42 -47.34 70.52 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -54.6 -67.7 0.25 Allowed 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 121.705 0.764 . . . . 0.0 110.029 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.4 m -62.83 -29.25 70.59 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.24 -0.912 . . . . 0.0 110.56 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.576 ' OG1' ' NE2' ' A' ' 93' ' ' GLN . 1.3 m -49.95 -55.64 13.75 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.813 -1.179 . . . . 0.0 108.676 -179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.1 mp -54.76 -56.05 12.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.356 -0.84 . . . . 0.0 109.072 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -56.04 -50.93 69.55 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.527 -1.358 . . . . 0.0 110.686 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.443 ' C ' ' H ' ' A' ' 102' ' ' ASN . . . -61.1 -30.36 70.31 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.844 -1.16 . . . . 0.0 109.279 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.573 ' O ' ' ND2' ' A' ' 102' ' ' ASN . 3.3 m-30 -77.5 18.47 0.43 Allowed 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASN . . . . . 0.573 ' ND2' ' O ' ' A' ' 101' ' ' TYR . 1.6 m-80 74.52 58.85 0.07 Allowed 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -178.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.559 ' CA ' HE21 ' A' ' 103' ' ' GLN . 0.1 OUTLIER 47.36 54.56 9.38 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 105.085 -2.191 . . . . 0.0 105.085 -175.662 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.485 ' O ' ' O ' ' A' ' 101' ' ' TYR . 32.6 tptt 66.1 -70.72 0.1 Allowed 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 113.498 -1.683 . . . . 0.0 109.277 -177.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -151.17 27.59 0.68 Allowed 'General case' 0 C--N 1.292 -1.918 0 O-C-N 119.758 -1.839 . . . . 0.0 107.634 177.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 CA-C-O 118.016 -1.435 . . . . 0.0 109.6 -179.048 . . . . . . . . 0 0 . 1 stop_ save_