data_1c98_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 1c98 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 2' ' ' ASN . . . . . 0.447 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 121.648 0.737 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -50.69 -28.99 10.1 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 176.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.447 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.28 -69.8 0.08 Allowed 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 113.16 -1.836 . . . . 0.0 110.608 176.18 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.36 -20.37 0.66 Allowed 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 114.364 -1.289 . . . . 0.0 111.144 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 3' ' ' LEU . 5.5 m -77.87 -7.65 57.0 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.194 -0.941 . . . . 0.0 109.304 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.62 -13.86 6.56 Favored Glycine 0 N--CA 1.484 1.89 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -90.09 -38.95 13.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.44 -1.035 . . . . 0.0 110.226 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.395 -0.816 . . . . 0.0 110.229 -179.934 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.463 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.9 m120 . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.594 0.712 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -50.3 -29.14 9.11 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 176.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.463 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.1 OUTLIER -33.27 -66.52 0.14 Allowed 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 113.146 -1.843 . . . . 0.0 110.468 176.128 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.32 -18.34 64.48 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.067 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.2 m -81.24 -7.12 59.51 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.176 -0.953 . . . . 0.0 109.091 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.42 -14.46 5.37 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 8' ' ' HIS . 7.3 t60 -90.13 -25.85 20.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.37 -1.077 . . . . 0.0 110.119 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.315 -0.866 . . . . 0.0 110.201 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.661 0.743 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -50.83 -28.82 10.22 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 104.851 -2.277 . . . . 0.0 104.851 176.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.25 -69.6 0.08 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.544 176.086 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.64 -22.13 0.26 Allowed 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 114.362 -1.29 . . . . 0.0 111.045 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.7 m -74.51 -10.07 59.2 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.133 -0.979 . . . . 0.0 109.121 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.37 -11.31 18.08 Favored Glycine 0 N--CA 1.483 1.818 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.509 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 3.3 t60 -90.03 -37.08 14.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.396 -1.061 . . . . 0.0 110.215 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 N--CA 1.49 1.575 0 O-C-N 121.371 -0.831 . . . . 0.0 110.196 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.48 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 121.603 0.716 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.5 OUTLIER -51.06 -28.45 10.44 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 176.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.48 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -32.95 -69.13 0.09 Allowed 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 113.204 -1.817 . . . . 0.0 110.607 176.01 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.59 -22.52 0.17 Allowed 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 114.235 -1.348 . . . . 0.0 111.155 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.7 m -74.83 -9.84 58.94 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.166 -0.959 . . . . 0.0 109.01 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.69 -10.32 5.95 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -80.26 -26.31 39.06 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.373 -1.075 . . . . 0.0 110.197 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.224 -0.922 . . . . 0.0 110.211 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.464 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.632 0.73 . . . . 0.0 109.562 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 6' ' ' THR . 10.2 mt -50.59 -28.93 9.64 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.464 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.367 0.2 OUTLIER -33.34 -66.32 0.15 Allowed 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 113.193 -1.821 . . . . 0.0 110.475 176.144 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.32 -17.99 64.39 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.143 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.2 m -81.42 -6.8 59.31 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.178 -0.951 . . . . 0.0 109.075 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.99 -8.79 5.46 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -90.07 -33.66 16.21 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.256 -1.143 . . . . 0.0 110.19 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.88 . . . . 0.0 110.283 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.464 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.603 0.716 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -50.82 -28.82 10.21 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 176.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.464 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.27 -69.84 0.08 Allowed 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 113.223 -1.808 . . . . 0.0 110.584 176.128 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.93 -21.33 0.41 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.078 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.5 m -75.03 -9.99 59.05 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.195 -0.941 . . . . 0.0 109.226 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.66 -10.4 19.25 Favored Glycine 0 N--CA 1.484 1.86 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.493 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.0 t60 -89.96 -25.52 20.85 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.41 -1.053 . . . . 0.0 110.188 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.281 -0.887 . . . . 0.0 110.215 -179.89 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.487 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 121.693 0.759 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.3 mm? -50.03 -29.43 8.7 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 176.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.487 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.363 0.4 OUTLIER -33.29 -69.67 0.08 Allowed 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 113.008 -1.905 . . . . 0.0 110.714 176.174 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.26 -19.48 0.81 Allowed 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.166 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.7 m -76.41 -9.39 58.61 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.215 -0.928 . . . . 0.0 109.275 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.17 -11.68 6.73 Favored Glycine 0 N--CA 1.485 1.908 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.44 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.9 t60 -90.11 -32.35 16.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.359 -1.083 . . . . 0.0 110.191 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.357 -0.839 . . . . 0.0 110.198 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.465 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 121.602 0.715 . . . . 0.0 109.577 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.5 OUTLIER -50.48 -28.92 9.24 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 176.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.465 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.2 OUTLIER -33.33 -66.99 0.13 Allowed 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 113.138 -1.846 . . . . 0.0 110.436 176.175 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.62 -20.58 66.37 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-N 114.093 -1.412 . . . . 0.0 111.012 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.3 m -81.52 -6.01 58.54 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.213 -0.929 . . . . 0.0 109.092 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.3 -7.99 6.16 Favored Glycine 0 N--CA 1.485 1.926 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 8' ' ' HIS . 6.2 t60 -86.33 -28.86 23.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.328 -1.101 . . . . 0.0 110.144 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.318 -0.864 . . . . 0.0 110.141 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.472 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 121.66 0.743 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -50.71 -28.84 9.87 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 176.785 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.472 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.41 -69.58 0.09 Allowed 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 113.178 -1.828 . . . . 0.0 110.599 176.129 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.61 -18.39 1.14 Allowed 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.324 -1.307 . . . . 0.0 111.201 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.4 m -75.65 -10.64 59.61 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.213 -0.93 . . . . 0.0 109.249 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.04 -10.98 23.35 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.457 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.7 t60 -90.2 -26.3 20.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.37 -1.077 . . . . 0.0 110.231 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.308 -0.87 . . . . 0.0 110.288 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.439 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 121.664 0.745 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 6' ' ' THR . 1.1 mp -50.91 -28.73 10.31 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 176.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.439 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.12 -69.91 0.08 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 113.199 -1.819 . . . . 0.0 110.55 176.162 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.96 -22.96 0.24 Allowed 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 114.374 -1.284 . . . . 0.0 111.12 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.6 m -75.15 -9.44 58.55 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.159 -0.963 . . . . 0.0 109.193 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.12 -8.98 23.02 Favored Glycine 0 N--CA 1.483 1.827 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.48 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.6 t60 -89.99 -24.16 21.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.336 -1.097 . . . . 0.0 110.179 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.25 -0.906 . . . . 0.0 110.134 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.464 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 121.633 0.73 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.3 mm? -50.17 -29.34 9.04 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 176.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.464 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.15 -69.96 0.08 Allowed 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 113.079 -1.873 . . . . 0.0 110.656 176.155 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.74 -17.87 1.56 Allowed 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.176 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 3' ' ' LEU . 5.4 m -79.54 -7.08 58.24 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.218 -0.926 . . . . 0.0 109.395 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.05 -10.48 7.47 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -87.34 -34.52 18.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.282 -1.128 . . . . 0.0 110.245 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.364 -0.835 . . . . 0.0 110.233 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.704 0.764 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 6' ' ' THR . 12.7 mt -50.65 -28.89 9.76 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 104.754 -2.313 . . . . 0.0 104.754 176.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.461 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.2 OUTLIER -33.32 -66.45 0.15 Allowed 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 113.265 -1.789 . . . . 0.0 110.497 176.068 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.99 -18.22 64.66 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.048 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.3 m -81.69 -6.09 58.71 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.164 -0.96 . . . . 0.0 109.251 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.14 -9.66 7.2 Favored Glycine 0 N--CA 1.485 1.91 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.499 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.3 t60 -86.43 -24.43 25.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.377 -1.072 . . . . 0.0 110.139 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.211 -0.93 . . . . 0.0 110.194 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.462 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 . . . . . 0 N--CA 1.482 1.125 0 CA-C-O 121.618 0.723 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.3 mm? -50.14 -29.36 8.99 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 176.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.462 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.1 -69.43 0.09 Allowed 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 113.04 -1.891 . . . . 0.0 110.507 176.221 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.31 -22.13 0.22 Allowed 'General case' 0 C--N 1.294 -1.821 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.17 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.8 m -75.65 -9.42 58.57 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.175 -0.953 . . . . 0.0 109.08 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.58 -8.42 6.35 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 8' ' ' HIS . 2.8 t60 -81.36 -25.83 36.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.294 -1.121 . . . . 0.0 110.2 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 0.0 110.223 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.446 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.644 0.735 . . . . 0.0 109.64 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -50.91 -28.79 10.43 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 104.767 -2.309 . . . . 0.0 104.767 176.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.446 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.13 -69.86 0.08 Allowed 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 113.216 -1.811 . . . . 0.0 110.628 176.111 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.4 -22.54 0.27 Allowed 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.067 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 3' ' ' LEU . 4.3 m -77.48 -7.11 55.72 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.217 -0.927 . . . . 0.0 109.27 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.97 -8.97 7.04 Favored Glycine 0 N--CA 1.484 1.881 0 N-CA-C 109.319 -1.513 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.505 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.0 t60 -89.93 -24.98 21.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.219 -1.166 . . . . 0.0 110.184 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.303 -0.873 . . . . 0.0 110.23 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.452 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 121.66 0.743 . . . . 0.0 109.65 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.473 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -50.78 -28.81 10.05 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 176.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.452 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.2 -70.13 0.08 Allowed 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 113.203 -1.817 . . . . 0.0 110.579 176.121 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.45 -22.63 0.28 Allowed 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.033 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 4.2 m -77.53 -7.07 55.72 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.208 -0.932 . . . . 0.0 109.228 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 -9.67 7.25 Favored Glycine 0 N--CA 1.483 1.799 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.46 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.5 t60 -82.54 -25.15 33.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.299 -1.118 . . . . 0.0 110.181 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 0.0 110.222 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.438 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 121.702 0.763 . . . . 0.0 109.492 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -50.75 -28.86 10.05 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 176.804 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.438 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.29 -70.25 0.08 Allowed 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 113.127 -1.852 . . . . 0.0 110.575 176.069 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.54 -22.62 0.29 Allowed 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.044 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.5 m -74.01 -10.44 59.64 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.186 -0.946 . . . . 0.0 109.142 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.29 -9.56 33.53 Favored Glycine 0 N--CA 1.484 1.896 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -90.07 -25.91 20.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.439 -1.036 . . . . 0.0 110.131 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.273 -0.892 . . . . 0.0 110.242 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.448 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.618 0.723 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 6' ' ' THR . 2.1 mt -50.73 -28.77 9.81 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.448 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.3 -69.56 0.09 Allowed 'General case' 0 C--N 1.297 -1.674 0 CA-C-N 113.169 -1.832 . . . . 0.0 110.527 176.12 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.84 -21.34 0.4 Allowed 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 114.304 -1.317 . . . . 0.0 111.089 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.9 m -76.4 -8.77 57.84 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.24 -0.912 . . . . 0.0 109.22 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.34 -8.01 7.32 Favored Glycine 0 N--CA 1.483 1.779 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.48 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.6 t60 -80.41 -24.68 39.5 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.34 -1.094 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 0.0 110.275 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.436 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.674 0.749 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -50.74 -28.89 10.08 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 104.776 -2.305 . . . . 0.0 104.776 176.85 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.436 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.2 -70.03 0.08 Allowed 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 113.218 -1.81 . . . . 0.0 110.53 176.196 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.64 -22.36 0.28 Allowed 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 114.329 -1.305 . . . . 0.0 111.016 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.4 m -74.71 -9.7 58.81 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.144 -0.972 . . . . 0.0 109.211 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.15 -7.76 37.33 Favored Glycine 0 N--CA 1.484 1.84 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -90.02 -29.29 18.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.405 -1.056 . . . . 0.0 110.2 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.922 . . . . 0.0 110.26 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.752 0.787 . . . . 0.0 109.469 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 6' ' ' THR . 2.5 mp -50.77 -28.81 9.99 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 104.869 -2.271 . . . . 0.0 104.869 176.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.4 -69.24 0.09 Allowed 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 113.191 -1.822 . . . . 0.0 110.621 176.073 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.38 -18.95 0.72 Allowed 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.259 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.6 m -75.77 -10.0 59.06 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.189 -0.944 . . . . 0.0 109.272 179.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.56 -14.43 6.31 Favored Glycine 0 N--CA 1.484 1.889 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.46 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.8 t60 -90.12 -26.56 20.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.41 -1.053 . . . . 0.0 110.202 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.263 -0.898 . . . . 0.0 110.258 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . 0.455 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 121.629 0.728 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -50.95 -28.66 10.27 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 176.833 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.455 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.44 -70.24 0.08 Allowed 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 113.177 -1.828 . . . . 0.0 110.57 176.143 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 9' ' ' PHE . . . -49.08 -20.88 0.61 Allowed 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 114.4 -1.273 . . . . 0.0 111.016 -179.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.514 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.6 m -75.92 -9.61 58.75 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.182 -0.949 . . . . 0.0 109.249 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.67 -9.73 22.58 Favored Glycine 0 N--CA 1.484 1.858 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' HIS . . . . . 0.456 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.8 t60 -90.08 -26.03 20.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -1.072 . . . . 0.0 110.259 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 5' ' ' ALA . 22.5 m-85 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 110.194 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.447 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.87 82.92 1.76 Allowed 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.214 -1.168 . . . . 0.0 109.466 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -50.69 -28.99 10.1 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 176.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.447 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.28 -69.8 0.08 Allowed 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 113.16 -1.836 . . . . 0.0 110.608 176.18 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.36 -20.37 0.66 Allowed 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 114.364 -1.289 . . . . 0.0 111.144 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 3' ' ' LEU . 5.5 m -77.87 -7.65 57.0 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.194 -0.941 . . . . 0.0 109.304 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.62 -13.86 6.56 Favored Glycine 0 N--CA 1.484 1.89 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -90.09 -38.95 13.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.44 -1.035 . . . . 0.0 110.226 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -95.13 -34.3 12.32 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.395 -0.816 . . . . 0.0 110.229 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.8 mmt -106.42 -23.03 12.63 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.326 -0.859 . . . . 0.0 109.081 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.437 0 O-C-N 120.372 -1.455 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.353 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.463 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.9 m120 -106.72 82.68 1.74 Allowed 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.295 -1.121 . . . . 0.0 109.567 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -50.3 -29.14 9.11 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 176.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.463 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.1 OUTLIER -33.27 -66.52 0.14 Allowed 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 113.146 -1.843 . . . . 0.0 110.468 176.128 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.32 -18.34 64.48 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.067 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.2 m -81.24 -7.12 59.51 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.176 -0.953 . . . . 0.0 109.091 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.42 -14.46 5.37 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 8' ' ' HIS . 7.3 t60 -90.13 -25.85 20.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.37 -1.077 . . . . 0.0 110.119 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -94.21 -34.15 13.0 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.315 -0.866 . . . . 0.0 110.201 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.1 ttp -106.4 -21.31 13.12 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.373 -0.829 . . . . 0.0 109.046 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.401 0 O-C-N 120.325 -1.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.8 82.62 1.73 Allowed 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.236 -1.155 . . . . 0.0 109.631 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -50.83 -28.82 10.22 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 104.851 -2.277 . . . . 0.0 104.851 176.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.25 -69.6 0.08 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.544 176.086 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.64 -22.13 0.26 Allowed 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 114.362 -1.29 . . . . 0.0 111.045 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.7 m -74.51 -10.07 59.2 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.133 -0.979 . . . . 0.0 109.121 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.37 -11.31 18.08 Favored Glycine 0 N--CA 1.483 1.818 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.509 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 3.3 t60 -90.03 -37.08 14.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.396 -1.061 . . . . 0.0 110.215 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -95.12 -33.72 12.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.371 -0.831 . . . . 0.0 110.196 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.34 -22.48 12.8 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.354 -0.841 . . . . 0.0 108.967 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.416 0 O-C-N 120.351 -1.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.48 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.81 82.21 1.67 Allowed 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.255 -1.144 . . . . 0.0 109.618 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.5 OUTLIER -51.06 -28.45 10.44 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 176.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.48 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -32.95 -69.13 0.09 Allowed 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 113.204 -1.817 . . . . 0.0 110.607 176.01 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.59 -22.52 0.17 Allowed 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 114.235 -1.348 . . . . 0.0 111.155 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.7 m -74.83 -9.84 58.94 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.166 -0.959 . . . . 0.0 109.01 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 11' ' ' NH2 . . . -122.69 -10.32 5.95 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -80.26 -26.31 39.06 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.373 -1.075 . . . . 0.0 110.197 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -72.14 -37.92 69.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.224 -0.922 . . . . 0.0 110.211 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.1 tpt -106.57 -23.61 12.42 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.286 -0.884 . . . . 0.0 108.989 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . 0.431 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 120.289 -1.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.569 -1.413 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.464 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.87 82.85 1.75 Allowed 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.186 -1.185 . . . . 0.0 109.562 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 6' ' ' THR . 10.2 mt -50.59 -28.93 9.64 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.464 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.367 0.2 OUTLIER -33.34 -66.32 0.15 Allowed 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 113.193 -1.821 . . . . 0.0 110.475 176.144 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.32 -17.99 64.39 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.143 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.521 ' O ' ' CG ' ' A' ' 10' ' ' MET . 3.2 m -81.42 -6.8 59.31 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.178 -0.951 . . . . 0.0 109.075 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.99 -8.79 5.46 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -90.07 -33.66 16.21 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.256 -1.143 . . . . 0.0 110.19 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -95.16 -41.74 8.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.88 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.521 ' CG ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -106.31 -24.41 12.28 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.404 -0.81 . . . . 0.0 109.091 179.556 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.447 0 O-C-N 120.444 -1.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.464 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.74 82.7 1.74 Allowed 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.261 -1.141 . . . . 0.0 109.546 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -50.82 -28.82 10.21 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 176.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.464 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.27 -69.84 0.08 Allowed 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 113.223 -1.808 . . . . 0.0 110.584 176.128 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.93 -21.33 0.41 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.078 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.5 m -75.03 -9.99 59.05 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.195 -0.941 . . . . 0.0 109.226 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.66 -10.4 19.25 Favored Glycine 0 N--CA 1.484 1.86 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.493 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.0 t60 -89.96 -25.52 20.85 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.41 -1.053 . . . . 0.0 110.188 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -94.8 -34.09 12.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.281 -0.887 . . . . 0.0 110.215 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.9 ttt -106.48 -22.24 12.84 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.337 -0.852 . . . . 0.0 108.961 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 O-C-N 120.475 -1.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.487 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 -106.75 82.52 1.72 Allowed 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.256 -1.144 . . . . 0.0 109.592 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.3 mm? -50.03 -29.43 8.7 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 176.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.487 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.363 0.4 OUTLIER -33.29 -69.67 0.08 Allowed 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 113.008 -1.905 . . . . 0.0 110.714 176.174 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.26 -19.48 0.81 Allowed 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.166 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.7 m -76.41 -9.39 58.61 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.215 -0.928 . . . . 0.0 109.275 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.17 -11.68 6.73 Favored Glycine 0 N--CA 1.485 1.908 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.44 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.9 t60 -90.11 -32.35 16.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.359 -1.083 . . . . 0.0 110.191 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -95.06 -33.9 12.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.357 -0.839 . . . . 0.0 110.198 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.4 ttp -106.36 -22.51 12.79 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.429 -0.794 . . . . 0.0 109.057 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.408 0 O-C-N 120.33 -1.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.371 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.465 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.74 82.52 1.72 Allowed 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.24 -1.153 . . . . 0.0 109.577 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.5 OUTLIER -50.48 -28.92 9.24 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 176.831 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.465 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.2 OUTLIER -33.33 -66.99 0.13 Allowed 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 113.138 -1.846 . . . . 0.0 110.436 176.175 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.62 -20.58 66.37 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-N 114.093 -1.412 . . . . 0.0 111.012 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.3 m -81.52 -6.01 58.54 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.213 -0.929 . . . . 0.0 109.092 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.3 -7.99 6.16 Favored Glycine 0 N--CA 1.485 1.926 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 8' ' ' HIS . 6.2 t60 -86.33 -28.86 23.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.328 -1.101 . . . . 0.0 110.144 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -95.1 -33.82 12.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.318 -0.864 . . . . 0.0 110.141 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.5 ttt -106.41 -22.5 12.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.362 -0.836 . . . . 0.0 109.022 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.408 -1.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.472 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.86 82.66 1.73 Allowed 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.276 -1.132 . . . . 0.0 109.502 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -50.71 -28.84 9.87 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 176.785 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.472 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.41 -69.58 0.09 Allowed 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 113.178 -1.828 . . . . 0.0 110.599 176.129 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.61 -18.39 1.14 Allowed 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.324 -1.307 . . . . 0.0 111.201 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.4 m -75.65 -10.64 59.61 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.213 -0.93 . . . . 0.0 109.249 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.04 -10.98 23.35 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.457 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.7 t60 -90.2 -26.3 20.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.37 -1.077 . . . . 0.0 110.231 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -90.1 -34.17 16.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.308 -0.87 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.42 -22.6 12.75 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.258 -0.901 . . . . 0.0 109.041 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.441 0 O-C-N 120.383 -1.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.439 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.83 82.58 1.72 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.205 -1.174 . . . . 0.0 109.579 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 6' ' ' THR . 1.1 mp -50.91 -28.73 10.31 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 176.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.439 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.12 -69.91 0.08 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 113.199 -1.819 . . . . 0.0 110.55 176.162 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.96 -22.96 0.24 Allowed 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 114.374 -1.284 . . . . 0.0 111.12 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.6 m -75.15 -9.44 58.55 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.159 -0.963 . . . . 0.0 109.193 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.12 -8.98 23.02 Favored Glycine 0 N--CA 1.483 1.827 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.48 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.6 t60 -89.99 -24.16 21.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.336 -1.097 . . . . 0.0 110.179 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -86.22 -34.79 20.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.25 -0.906 . . . . 0.0 110.134 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.42 -21.8 12.98 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.395 -0.815 . . . . 0.0 108.998 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.41 0 O-C-N 120.376 -1.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.464 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 -106.64 82.21 1.69 Allowed 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.272 -1.134 . . . . 0.0 109.571 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.3 mm? -50.17 -29.34 9.04 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 176.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.464 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.15 -69.96 0.08 Allowed 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 113.079 -1.873 . . . . 0.0 110.656 176.155 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.74 -17.87 1.56 Allowed 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.176 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 3' ' ' LEU . 5.4 m -79.54 -7.08 58.24 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.218 -0.926 . . . . 0.0 109.395 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.05 -10.48 7.47 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -87.34 -34.52 18.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.282 -1.128 . . . . 0.0 110.245 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -94.94 -33.14 12.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.364 -0.835 . . . . 0.0 110.233 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -106.31 -18.83 13.88 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.409 -0.807 . . . . 0.0 108.938 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.423 0 O-C-N 120.4 -1.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.8 82.9 1.77 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.236 -1.156 . . . . 0.0 109.563 179.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 6' ' ' THR . 12.7 mt -50.65 -28.89 9.76 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 104.754 -2.313 . . . . 0.0 104.754 176.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.461 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.2 OUTLIER -33.32 -66.45 0.15 Allowed 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 113.265 -1.789 . . . . 0.0 110.497 176.068 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.99 -18.22 64.66 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.048 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.3 m -81.69 -6.09 58.71 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.164 -0.96 . . . . 0.0 109.251 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.14 -9.66 7.2 Favored Glycine 0 N--CA 1.485 1.91 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.499 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.3 t60 -86.43 -24.43 25.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.377 -1.072 . . . . 0.0 110.139 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -94.96 -33.79 12.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.211 -0.93 . . . . 0.0 110.194 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.41 -22.75 12.71 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.346 -0.846 . . . . 0.0 108.939 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.416 0 O-C-N 120.351 -1.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.462 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 -106.88 82.42 1.69 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.305 -1.114 . . . . 0.0 109.542 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.3 mm? -50.14 -29.36 8.99 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 176.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.462 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.1 -69.43 0.09 Allowed 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 113.04 -1.891 . . . . 0.0 110.507 176.221 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.31 -22.13 0.22 Allowed 'General case' 0 C--N 1.294 -1.821 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.17 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.8 m -75.65 -9.42 58.57 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.175 -0.953 . . . . 0.0 109.08 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 11' ' ' NH2 . . . -123.58 -8.42 6.35 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.537 ' CD2' ' O ' ' A' ' 8' ' ' HIS . 2.8 t60 -81.36 -25.83 36.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.294 -1.121 . . . . 0.0 110.2 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -89.47 -34.04 16.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 0.0 110.223 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -106.46 -22.48 12.78 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.282 -0.886 . . . . 0.0 109.03 179.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . 0.414 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.311 -1.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.446 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.71 82.41 1.71 Allowed 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.285 -1.127 . . . . 0.0 109.64 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -50.91 -28.79 10.43 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 104.767 -2.309 . . . . 0.0 104.767 176.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.446 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.13 -69.86 0.08 Allowed 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 113.216 -1.811 . . . . 0.0 110.628 176.111 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.4 -22.54 0.27 Allowed 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.067 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 3' ' ' LEU . 4.3 m -77.48 -7.11 55.72 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.217 -0.927 . . . . 0.0 109.27 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.97 -8.97 7.04 Favored Glycine 0 N--CA 1.484 1.881 0 N-CA-C 109.319 -1.513 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.505 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.0 t60 -89.93 -24.98 21.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.219 -1.166 . . . . 0.0 110.184 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -83.9 -62.03 1.67 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.303 -0.873 . . . . 0.0 110.23 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.4 ptm -106.3 -22.08 12.92 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.465 -0.772 . . . . 0.0 109.039 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.457 0 O-C-N 120.373 -1.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.452 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.78 82.53 1.72 Allowed 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.35 -1.088 . . . . 0.0 109.65 179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.473 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -50.78 -28.81 10.05 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 176.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.452 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.2 -70.13 0.08 Allowed 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 113.203 -1.817 . . . . 0.0 110.579 176.121 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.45 -22.63 0.28 Allowed 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.033 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 4.2 m -77.53 -7.07 55.72 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.208 -0.932 . . . . 0.0 109.228 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 -9.67 7.25 Favored Glycine 0 N--CA 1.483 1.799 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.46 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.5 t60 -82.54 -25.15 33.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.299 -1.118 . . . . 0.0 110.181 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -93.92 -33.86 13.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 0.0 110.222 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.45 -22.53 12.76 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.274 -0.891 . . . . 0.0 108.987 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 O-C-N 120.31 -1.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.438 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.85 82.77 1.74 Allowed 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.295 -1.121 . . . . 0.0 109.492 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -50.75 -28.86 10.05 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 176.804 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.438 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.29 -70.25 0.08 Allowed 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 113.127 -1.852 . . . . 0.0 110.575 176.069 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.54 -22.62 0.29 Allowed 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.044 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.5 m -74.01 -10.44 59.64 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.186 -0.946 . . . . 0.0 109.142 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.29 -9.56 33.53 Favored Glycine 0 N--CA 1.484 1.896 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -90.07 -25.91 20.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.439 -1.036 . . . . 0.0 110.131 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -84.99 -35.58 21.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.273 -0.892 . . . . 0.0 110.242 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.43 -22.57 12.76 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.339 -0.85 . . . . 0.0 109.071 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 120.363 -1.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.448 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.76 82.42 1.7 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.26 -1.141 . . . . 0.0 109.6 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 6' ' ' THR . 2.1 mt -50.73 -28.77 9.81 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.448 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.3 -69.56 0.09 Allowed 'General case' 0 C--N 1.297 -1.674 0 CA-C-N 113.169 -1.832 . . . . 0.0 110.527 176.12 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.84 -21.34 0.4 Allowed 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 114.304 -1.317 . . . . 0.0 111.089 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.9 m -76.4 -8.77 57.84 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.24 -0.912 . . . . 0.0 109.22 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.34 -8.01 7.32 Favored Glycine 0 N--CA 1.483 1.779 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.48 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.6 t60 -80.41 -24.68 39.5 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.34 -1.094 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -93.3 -48.69 6.31 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 0.0 110.275 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.6 mmt -106.55 -21.98 12.9 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.448 -0.782 . . . . 0.0 108.994 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.428 0 O-C-N 120.349 -1.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.436 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.8 82.71 1.74 Allowed 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.177 -1.19 . . . . 0.0 109.569 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -50.74 -28.89 10.08 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 104.776 -2.305 . . . . 0.0 104.776 176.85 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.436 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.2 -70.03 0.08 Allowed 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 113.218 -1.81 . . . . 0.0 110.53 176.196 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.64 -22.36 0.28 Allowed 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 114.329 -1.305 . . . . 0.0 111.016 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.4 m -74.71 -9.7 58.81 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.144 -0.972 . . . . 0.0 109.211 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.15 -7.76 37.33 Favored Glycine 0 N--CA 1.484 1.84 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -90.02 -29.29 18.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.405 -1.056 . . . . 0.0 110.2 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -79.58 -34.1 41.11 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.922 . . . . 0.0 110.26 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 6' ' ' THR . 5.4 ptp -106.27 -22.49 12.82 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.293 -0.879 . . . . 0.0 109.047 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.451 0 O-C-N 120.343 -1.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 -106.91 82.85 1.75 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.348 -1.09 . . . . 0.0 109.469 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 6' ' ' THR . 2.5 mp -50.77 -28.81 9.99 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 104.869 -2.271 . . . . 0.0 104.869 176.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.4 -69.24 0.09 Allowed 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 113.191 -1.822 . . . . 0.0 110.621 176.073 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.38 -18.95 0.72 Allowed 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.259 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.6 m -75.77 -10.0 59.06 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.189 -0.944 . . . . 0.0 109.272 179.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.56 -14.43 6.31 Favored Glycine 0 N--CA 1.484 1.889 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.46 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.8 t60 -90.12 -26.56 20.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.41 -1.053 . . . . 0.0 110.202 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -89.02 -56.46 3.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -0.898 . . . . 0.0 110.258 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -106.42 -22.36 12.82 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.436 -0.79 . . . . 0.0 108.971 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.444 0 O-C-N 120.397 -1.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.455 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.85 82.75 1.74 Allowed 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.258 -1.142 . . . . 0.0 109.545 179.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -50.95 -28.66 10.27 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 176.833 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.455 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.44 -70.24 0.08 Allowed 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 113.177 -1.828 . . . . 0.0 110.57 176.143 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 9' ' ' PHE . . . -49.08 -20.88 0.61 Allowed 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 114.4 -1.273 . . . . 0.0 111.016 -179.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.514 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.6 m -75.92 -9.61 58.75 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.182 -0.949 . . . . 0.0 109.249 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.67 -9.73 22.58 Favored Glycine 0 N--CA 1.484 1.858 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.456 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.8 t60 -90.08 -26.03 20.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -1.072 . . . . 0.0 110.259 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 5' ' ' ALA . 22.5 m-85 -78.97 -43.84 23.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 110.194 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.5 mtt -106.42 -22.58 12.76 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.417 -0.802 . . . . 0.0 109.017 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 120.288 -1.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.447 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 121.648 0.737 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -50.69 -28.99 10.1 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 176.892 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.447 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.28 -69.8 0.08 Allowed 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 113.16 -1.836 . . . . 0.0 110.608 176.18 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.36 -20.37 0.66 Allowed 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 114.364 -1.289 . . . . 0.0 111.144 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 3' ' ' LEU . 5.5 m -77.87 -7.65 57.0 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.194 -0.941 . . . . 0.0 109.304 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.62 -13.86 6.56 Favored Glycine 0 N--CA 1.484 1.89 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -90.09 -38.95 13.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.44 -1.035 . . . . 0.0 110.226 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.395 -0.816 . . . . 0.0 110.229 -179.934 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.463 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.9 m120 . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.594 0.712 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -50.3 -29.14 9.11 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 176.838 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.463 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.1 OUTLIER -33.27 -66.52 0.14 Allowed 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 113.146 -1.843 . . . . 0.0 110.468 176.128 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.32 -18.34 64.48 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.067 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.2 m -81.24 -7.12 59.51 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.176 -0.953 . . . . 0.0 109.091 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.42 -14.46 5.37 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -90.13 -25.85 20.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.37 -1.077 . . . . 0.0 110.119 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.315 -0.866 . . . . 0.0 110.201 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.661 0.743 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -50.83 -28.82 10.22 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 104.851 -2.277 . . . . 0.0 104.851 176.868 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.25 -69.6 0.08 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.544 176.086 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.64 -22.13 0.26 Allowed 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 114.362 -1.29 . . . . 0.0 111.045 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.7 m -74.51 -10.07 59.2 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.133 -0.979 . . . . 0.0 109.121 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.37 -11.31 18.08 Favored Glycine 0 N--CA 1.483 1.818 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -90.03 -37.08 14.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.396 -1.061 . . . . 0.0 110.215 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 N--CA 1.49 1.575 0 O-C-N 121.371 -0.831 . . . . 0.0 110.196 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.48 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 121.603 0.716 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.5 OUTLIER -51.06 -28.45 10.44 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 176.844 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.48 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -32.95 -69.13 0.09 Allowed 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 113.204 -1.817 . . . . 0.0 110.607 176.01 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' A' ' 8' ' ' HIS . . . -45.59 -22.52 0.17 Allowed 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 114.235 -1.348 . . . . 0.0 111.155 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.7 m -74.83 -9.84 58.94 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.166 -0.959 . . . . 0.0 109.01 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.69 -10.32 5.95 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' HIS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 5' ' ' ALA . 5.7 t-80 -80.26 -26.31 39.06 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.373 -1.075 . . . . 0.0 110.197 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.224 -0.922 . . . . 0.0 110.211 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.464 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.632 0.73 . . . . 0.0 109.562 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 6' ' ' THR . 10.2 mt -50.59 -28.93 9.64 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.464 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.367 0.2 OUTLIER -33.34 -66.32 0.15 Allowed 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 113.193 -1.821 . . . . 0.0 110.475 176.144 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.32 -17.99 64.39 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.143 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.2 m -81.42 -6.8 59.31 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.178 -0.951 . . . . 0.0 109.075 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.99 -8.79 5.46 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -90.07 -33.66 16.21 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.256 -1.143 . . . . 0.0 110.19 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.88 . . . . 0.0 110.283 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.464 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.603 0.716 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -50.82 -28.82 10.21 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 176.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.464 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.27 -69.84 0.08 Allowed 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 113.223 -1.808 . . . . 0.0 110.584 176.128 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.93 -21.33 0.41 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.078 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.5 m -75.03 -9.99 59.05 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.195 -0.941 . . . . 0.0 109.226 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.66 -10.4 19.25 Favored Glycine 0 N--CA 1.484 1.86 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -89.96 -25.52 20.85 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.41 -1.053 . . . . 0.0 110.188 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.281 -0.887 . . . . 0.0 110.215 -179.89 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.487 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 121.693 0.759 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.3 mm? -50.03 -29.43 8.7 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 176.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.487 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.363 0.4 OUTLIER -33.29 -69.67 0.08 Allowed 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 113.008 -1.905 . . . . 0.0 110.714 176.174 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.26 -19.48 0.81 Allowed 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.166 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.7 m -76.41 -9.39 58.61 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.215 -0.928 . . . . 0.0 109.275 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.17 -11.68 6.73 Favored Glycine 0 N--CA 1.485 1.908 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -90.11 -32.35 16.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.359 -1.083 . . . . 0.0 110.191 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.357 -0.839 . . . . 0.0 110.198 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.465 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 121.602 0.715 . . . . 0.0 109.577 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.5 OUTLIER -50.48 -28.92 9.24 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 176.831 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.465 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.2 OUTLIER -33.33 -66.99 0.13 Allowed 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 113.138 -1.846 . . . . 0.0 110.436 176.175 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.62 -20.58 66.37 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-N 114.093 -1.412 . . . . 0.0 111.012 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.3 m -81.52 -6.01 58.54 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.213 -0.929 . . . . 0.0 109.092 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.3 -7.99 6.16 Favored Glycine 0 N--CA 1.485 1.926 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -86.33 -28.86 23.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.328 -1.101 . . . . 0.0 110.144 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.318 -0.864 . . . . 0.0 110.141 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.472 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 121.66 0.743 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -50.71 -28.84 9.87 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 176.785 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.472 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.41 -69.58 0.09 Allowed 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 113.178 -1.828 . . . . 0.0 110.599 176.129 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.61 -18.39 1.14 Allowed 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.324 -1.307 . . . . 0.0 111.201 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.4 m -75.65 -10.64 59.61 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.213 -0.93 . . . . 0.0 109.249 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.04 -10.98 23.35 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -90.2 -26.3 20.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.37 -1.077 . . . . 0.0 110.231 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.308 -0.87 . . . . 0.0 110.288 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.439 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 121.664 0.745 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 6' ' ' THR . 1.1 mp -50.91 -28.73 10.31 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 176.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.439 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.12 -69.91 0.08 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 113.199 -1.819 . . . . 0.0 110.55 176.162 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.96 -22.96 0.24 Allowed 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 114.374 -1.284 . . . . 0.0 111.12 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.6 m -75.15 -9.44 58.55 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.159 -0.963 . . . . 0.0 109.193 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.12 -8.98 23.02 Favored Glycine 0 N--CA 1.483 1.827 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -89.99 -24.16 21.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.336 -1.097 . . . . 0.0 110.179 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.25 -0.906 . . . . 0.0 110.134 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.464 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 121.633 0.73 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.3 mm? -50.17 -29.34 9.04 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 176.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.464 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.15 -69.96 0.08 Allowed 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 113.079 -1.873 . . . . 0.0 110.656 176.155 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.74 -17.87 1.56 Allowed 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.176 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 3' ' ' LEU . 5.4 m -79.54 -7.08 58.24 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.218 -0.926 . . . . 0.0 109.395 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.05 -10.48 7.47 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -87.34 -34.52 18.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.282 -1.128 . . . . 0.0 110.245 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.364 -0.835 . . . . 0.0 110.233 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.704 0.764 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 3' ' ' LEU . 12.7 mt -50.65 -28.89 9.76 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 104.754 -2.313 . . . . 0.0 104.754 176.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.461 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.2 OUTLIER -33.32 -66.45 0.15 Allowed 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 113.265 -1.789 . . . . 0.0 110.497 176.068 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.99 -18.22 64.66 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.048 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.3 m -81.69 -6.09 58.71 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.164 -0.96 . . . . 0.0 109.251 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.14 -9.66 7.2 Favored Glycine 0 N--CA 1.485 1.91 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -86.43 -24.43 25.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.377 -1.072 . . . . 0.0 110.139 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.211 -0.93 . . . . 0.0 110.194 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.462 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 . . . . . 0 N--CA 1.482 1.125 0 CA-C-O 121.618 0.723 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.3 mm? -50.14 -29.36 8.99 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 176.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.462 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.1 -69.43 0.09 Allowed 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 113.04 -1.891 . . . . 0.0 110.507 176.221 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.31 -22.13 0.22 Allowed 'General case' 0 C--N 1.294 -1.821 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.17 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.8 m -75.65 -9.42 58.57 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.175 -0.953 . . . . 0.0 109.08 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.58 -8.42 6.35 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -81.36 -25.83 36.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.294 -1.121 . . . . 0.0 110.2 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 0.0 110.223 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.446 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.644 0.735 . . . . 0.0 109.64 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -50.91 -28.79 10.43 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 104.767 -2.309 . . . . 0.0 104.767 176.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.446 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.13 -69.86 0.08 Allowed 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 113.216 -1.811 . . . . 0.0 110.628 176.111 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.4 -22.54 0.27 Allowed 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.067 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 3' ' ' LEU . 4.3 m -77.48 -7.11 55.72 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.217 -0.927 . . . . 0.0 109.27 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.97 -8.97 7.04 Favored Glycine 0 N--CA 1.484 1.881 0 N-CA-C 109.319 -1.513 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -89.93 -24.98 21.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.219 -1.166 . . . . 0.0 110.184 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.303 -0.873 . . . . 0.0 110.23 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.452 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 121.66 0.743 . . . . 0.0 109.65 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.473 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -50.78 -28.81 10.05 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 176.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.452 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.2 -70.13 0.08 Allowed 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 113.203 -1.817 . . . . 0.0 110.579 176.121 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.45 -22.63 0.28 Allowed 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.033 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 4.2 m -77.53 -7.07 55.72 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.208 -0.932 . . . . 0.0 109.228 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 -9.67 7.25 Favored Glycine 0 N--CA 1.483 1.799 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -82.54 -25.15 33.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.299 -1.118 . . . . 0.0 110.181 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 0.0 110.222 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.438 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 121.702 0.763 . . . . 0.0 109.492 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -50.75 -28.86 10.05 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 176.804 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.438 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.29 -70.25 0.08 Allowed 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 113.127 -1.852 . . . . 0.0 110.575 176.069 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.54 -22.62 0.29 Allowed 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.044 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.5 m -74.01 -10.44 59.64 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.186 -0.946 . . . . 0.0 109.142 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.29 -9.56 33.53 Favored Glycine 0 N--CA 1.484 1.896 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -90.07 -25.91 20.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.439 -1.036 . . . . 0.0 110.131 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.273 -0.892 . . . . 0.0 110.242 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.448 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.618 0.723 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 6' ' ' THR . 2.1 mt -50.73 -28.77 9.81 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.448 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.3 -69.56 0.09 Allowed 'General case' 0 C--N 1.297 -1.674 0 CA-C-N 113.169 -1.832 . . . . 0.0 110.527 176.12 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.84 -21.34 0.4 Allowed 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 114.304 -1.317 . . . . 0.0 111.089 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.9 m -76.4 -8.77 57.84 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.24 -0.912 . . . . 0.0 109.22 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.34 -8.01 7.32 Favored Glycine 0 N--CA 1.483 1.779 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -80.41 -24.68 39.5 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.34 -1.094 . . . . 0.0 110.249 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 0.0 110.275 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.436 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.674 0.749 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -50.74 -28.89 10.08 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 104.776 -2.305 . . . . 0.0 104.776 176.85 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.436 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.2 -70.03 0.08 Allowed 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 113.218 -1.81 . . . . 0.0 110.53 176.196 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.64 -22.36 0.28 Allowed 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 114.329 -1.305 . . . . 0.0 111.016 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.4 m -74.71 -9.7 58.81 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.144 -0.972 . . . . 0.0 109.211 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.15 -7.76 37.33 Favored Glycine 0 N--CA 1.484 1.84 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -90.02 -29.29 18.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.405 -1.056 . . . . 0.0 110.2 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.922 . . . . 0.0 110.26 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.752 0.787 . . . . 0.0 109.469 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 6' ' ' THR . 2.5 mp -50.77 -28.81 9.99 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 104.869 -2.271 . . . . 0.0 104.869 176.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.4 -69.24 0.09 Allowed 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 113.191 -1.822 . . . . 0.0 110.621 176.073 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.38 -18.95 0.72 Allowed 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.259 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.6 m -75.77 -10.0 59.06 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.189 -0.944 . . . . 0.0 109.272 179.37 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.56 -14.43 6.31 Favored Glycine 0 N--CA 1.484 1.889 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -90.12 -26.56 20.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.41 -1.053 . . . . 0.0 110.202 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.263 -0.898 . . . . 0.0 110.258 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASN . . . . . 0.455 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 121.629 0.728 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -50.95 -28.66 10.27 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 176.833 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.455 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.44 -70.24 0.08 Allowed 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 113.177 -1.828 . . . . 0.0 110.57 176.143 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 9' ' ' PHE . . . -49.08 -20.88 0.61 Allowed 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 114.4 -1.273 . . . . 0.0 111.016 -179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.6 m -75.92 -9.61 58.75 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.182 -0.949 . . . . 0.0 109.249 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.67 -9.73 22.58 Favored Glycine 0 N--CA 1.484 1.858 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -90.08 -26.03 20.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -1.072 . . . . 0.0 110.259 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 5' ' ' ALA . 22.5 m-85 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 110.194 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.447 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.87 82.92 1.76 Allowed 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.214 -1.168 . . . . 0.0 109.466 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -50.69 -28.99 10.1 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 176.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.447 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.28 -69.8 0.08 Allowed 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 113.16 -1.836 . . . . 0.0 110.608 176.18 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.36 -20.37 0.66 Allowed 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 114.364 -1.289 . . . . 0.0 111.144 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 3' ' ' LEU . 5.5 m -77.87 -7.65 57.0 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.194 -0.941 . . . . 0.0 109.304 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.62 -13.86 6.56 Favored Glycine 0 N--CA 1.484 1.89 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -90.09 -38.95 13.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.44 -1.035 . . . . 0.0 110.226 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -95.13 -34.3 12.32 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.395 -0.816 . . . . 0.0 110.229 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.8 mmt -106.42 -23.03 12.63 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.326 -0.859 . . . . 0.0 109.081 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.437 0 O-C-N 120.372 -1.455 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.353 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.463 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.9 m120 -106.72 82.68 1.74 Allowed 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.295 -1.121 . . . . 0.0 109.567 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -50.3 -29.14 9.11 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 176.838 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.463 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.1 OUTLIER -33.27 -66.52 0.14 Allowed 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 113.146 -1.843 . . . . 0.0 110.468 176.128 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.32 -18.34 64.48 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.067 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.2 m -81.24 -7.12 59.51 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.176 -0.953 . . . . 0.0 109.091 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.42 -14.46 5.37 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -90.13 -25.85 20.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.37 -1.077 . . . . 0.0 110.119 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -94.21 -34.15 13.0 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.315 -0.866 . . . . 0.0 110.201 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.1 ttp -106.4 -21.31 13.12 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.373 -0.829 . . . . 0.0 109.046 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.401 0 O-C-N 120.325 -1.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.8 82.62 1.73 Allowed 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.236 -1.155 . . . . 0.0 109.631 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -50.83 -28.82 10.22 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 104.851 -2.277 . . . . 0.0 104.851 176.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.25 -69.6 0.08 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.544 176.086 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.64 -22.13 0.26 Allowed 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 114.362 -1.29 . . . . 0.0 111.045 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.7 m -74.51 -10.07 59.2 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.133 -0.979 . . . . 0.0 109.121 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.37 -11.31 18.08 Favored Glycine 0 N--CA 1.483 1.818 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -90.03 -37.08 14.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.396 -1.061 . . . . 0.0 110.215 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -95.12 -33.72 12.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.371 -0.831 . . . . 0.0 110.196 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.34 -22.48 12.8 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.354 -0.841 . . . . 0.0 108.967 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.416 0 O-C-N 120.351 -1.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.48 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.81 82.21 1.67 Allowed 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.255 -1.144 . . . . 0.0 109.618 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.5 OUTLIER -51.06 -28.45 10.44 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 176.844 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.48 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -32.95 -69.13 0.09 Allowed 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 113.204 -1.817 . . . . 0.0 110.607 176.01 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' A' ' 8' ' ' HIS . . . -45.59 -22.52 0.17 Allowed 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 114.235 -1.348 . . . . 0.0 111.155 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.7 m -74.83 -9.84 58.94 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.166 -0.959 . . . . 0.0 109.01 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' NH2 . . . -122.69 -10.32 5.95 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 5' ' ' ALA . 5.7 t-80 -80.26 -26.31 39.06 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.373 -1.075 . . . . 0.0 110.197 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -72.14 -37.92 69.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.224 -0.922 . . . . 0.0 110.211 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.1 tpt -106.57 -23.61 12.42 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.286 -0.884 . . . . 0.0 108.989 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . 0.438 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 120.289 -1.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.569 -1.413 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.464 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.87 82.85 1.75 Allowed 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.186 -1.185 . . . . 0.0 109.562 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 6' ' ' THR . 10.2 mt -50.59 -28.93 9.64 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.464 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.367 0.2 OUTLIER -33.34 -66.32 0.15 Allowed 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 113.193 -1.821 . . . . 0.0 110.475 176.144 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.32 -17.99 64.39 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.143 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.521 ' O ' ' CG ' ' A' ' 10' ' ' MET . 3.2 m -81.42 -6.8 59.31 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.178 -0.951 . . . . 0.0 109.075 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.99 -8.79 5.46 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -90.07 -33.66 16.21 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.256 -1.143 . . . . 0.0 110.19 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -95.16 -41.74 8.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.88 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.521 ' CG ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -106.31 -24.41 12.28 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.404 -0.81 . . . . 0.0 109.091 179.556 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.447 0 O-C-N 120.444 -1.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.464 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.74 82.7 1.74 Allowed 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.261 -1.141 . . . . 0.0 109.546 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -50.82 -28.82 10.21 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 176.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.464 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.27 -69.84 0.08 Allowed 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 113.223 -1.808 . . . . 0.0 110.584 176.128 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.93 -21.33 0.41 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.078 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.5 m -75.03 -9.99 59.05 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.195 -0.941 . . . . 0.0 109.226 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.66 -10.4 19.25 Favored Glycine 0 N--CA 1.484 1.86 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -89.96 -25.52 20.85 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.41 -1.053 . . . . 0.0 110.188 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -94.8 -34.09 12.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.281 -0.887 . . . . 0.0 110.215 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.9 ttt -106.48 -22.24 12.84 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.337 -0.852 . . . . 0.0 108.961 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 O-C-N 120.475 -1.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.487 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 -106.75 82.52 1.72 Allowed 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.256 -1.144 . . . . 0.0 109.592 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.3 mm? -50.03 -29.43 8.7 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 176.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.487 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.363 0.4 OUTLIER -33.29 -69.67 0.08 Allowed 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 113.008 -1.905 . . . . 0.0 110.714 176.174 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.26 -19.48 0.81 Allowed 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.166 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.7 m -76.41 -9.39 58.61 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.215 -0.928 . . . . 0.0 109.275 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.17 -11.68 6.73 Favored Glycine 0 N--CA 1.485 1.908 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -90.11 -32.35 16.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.359 -1.083 . . . . 0.0 110.191 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -95.06 -33.9 12.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.357 -0.839 . . . . 0.0 110.198 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.4 ttp -106.36 -22.51 12.79 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.429 -0.794 . . . . 0.0 109.057 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.408 0 O-C-N 120.33 -1.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.371 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.465 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.74 82.52 1.72 Allowed 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.24 -1.153 . . . . 0.0 109.577 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.5 OUTLIER -50.48 -28.92 9.24 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 176.831 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.465 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.2 OUTLIER -33.33 -66.99 0.13 Allowed 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 113.138 -1.846 . . . . 0.0 110.436 176.175 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.62 -20.58 66.37 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-N 114.093 -1.412 . . . . 0.0 111.012 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.3 m -81.52 -6.01 58.54 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.213 -0.929 . . . . 0.0 109.092 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.3 -7.99 6.16 Favored Glycine 0 N--CA 1.485 1.926 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -86.33 -28.86 23.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.328 -1.101 . . . . 0.0 110.144 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -95.1 -33.82 12.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.318 -0.864 . . . . 0.0 110.141 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.5 ttt -106.41 -22.5 12.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.362 -0.836 . . . . 0.0 109.022 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.408 -1.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.472 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.86 82.66 1.73 Allowed 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.276 -1.132 . . . . 0.0 109.502 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -50.71 -28.84 9.87 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 176.785 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.472 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.41 -69.58 0.09 Allowed 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 113.178 -1.828 . . . . 0.0 110.599 176.129 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.61 -18.39 1.14 Allowed 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.324 -1.307 . . . . 0.0 111.201 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.4 m -75.65 -10.64 59.61 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.213 -0.93 . . . . 0.0 109.249 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.04 -10.98 23.35 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -90.2 -26.3 20.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.37 -1.077 . . . . 0.0 110.231 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -90.1 -34.17 16.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.308 -0.87 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.42 -22.6 12.75 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.258 -0.901 . . . . 0.0 109.041 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.441 0 O-C-N 120.383 -1.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.439 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.83 82.58 1.72 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.205 -1.174 . . . . 0.0 109.579 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 6' ' ' THR . 1.1 mp -50.91 -28.73 10.31 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 176.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.439 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.12 -69.91 0.08 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 113.199 -1.819 . . . . 0.0 110.55 176.162 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.96 -22.96 0.24 Allowed 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 114.374 -1.284 . . . . 0.0 111.12 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.6 m -75.15 -9.44 58.55 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.159 -0.963 . . . . 0.0 109.193 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.12 -8.98 23.02 Favored Glycine 0 N--CA 1.483 1.827 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -89.99 -24.16 21.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.336 -1.097 . . . . 0.0 110.179 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -86.22 -34.79 20.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.25 -0.906 . . . . 0.0 110.134 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.42 -21.8 12.98 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.395 -0.815 . . . . 0.0 108.998 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.41 0 O-C-N 120.376 -1.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.464 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 -106.64 82.21 1.69 Allowed 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.272 -1.134 . . . . 0.0 109.571 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.3 mm? -50.17 -29.34 9.04 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 176.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.464 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.15 -69.96 0.08 Allowed 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 113.079 -1.873 . . . . 0.0 110.656 176.155 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.74 -17.87 1.56 Allowed 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.176 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 3' ' ' LEU . 5.4 m -79.54 -7.08 58.24 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.218 -0.926 . . . . 0.0 109.395 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.05 -10.48 7.47 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -87.34 -34.52 18.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.282 -1.128 . . . . 0.0 110.245 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -94.94 -33.14 12.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.364 -0.835 . . . . 0.0 110.233 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -106.31 -18.83 13.88 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.409 -0.807 . . . . 0.0 108.938 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.423 0 O-C-N 120.4 -1.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.8 82.9 1.77 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.236 -1.156 . . . . 0.0 109.563 179.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 3' ' ' LEU . 12.7 mt -50.65 -28.89 9.76 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 104.754 -2.313 . . . . 0.0 104.754 176.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.461 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.2 OUTLIER -33.32 -66.45 0.15 Allowed 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 113.265 -1.789 . . . . 0.0 110.497 176.068 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.99 -18.22 64.66 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.048 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.3 m -81.69 -6.09 58.71 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.164 -0.96 . . . . 0.0 109.251 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.14 -9.66 7.2 Favored Glycine 0 N--CA 1.485 1.91 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -86.43 -24.43 25.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.377 -1.072 . . . . 0.0 110.139 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -94.96 -33.79 12.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.211 -0.93 . . . . 0.0 110.194 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.41 -22.75 12.71 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.346 -0.846 . . . . 0.0 108.939 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.416 0 O-C-N 120.351 -1.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.462 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 -106.88 82.42 1.69 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.305 -1.114 . . . . 0.0 109.542 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.3 mm? -50.14 -29.36 8.99 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 176.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.462 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.1 -69.43 0.09 Allowed 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 113.04 -1.891 . . . . 0.0 110.507 176.221 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.31 -22.13 0.22 Allowed 'General case' 0 C--N 1.294 -1.821 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.17 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.8 m -75.65 -9.42 58.57 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.175 -0.953 . . . . 0.0 109.08 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 11' ' ' NH2 . . . -123.58 -8.42 6.35 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -81.36 -25.83 36.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.294 -1.121 . . . . 0.0 110.2 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -89.47 -34.04 16.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 0.0 110.223 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -106.46 -22.48 12.78 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.282 -0.886 . . . . 0.0 109.03 179.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . 0.414 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.311 -1.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.446 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.71 82.41 1.71 Allowed 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.285 -1.127 . . . . 0.0 109.64 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -50.91 -28.79 10.43 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 104.767 -2.309 . . . . 0.0 104.767 176.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.446 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.13 -69.86 0.08 Allowed 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 113.216 -1.811 . . . . 0.0 110.628 176.111 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.4 -22.54 0.27 Allowed 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.067 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 3' ' ' LEU . 4.3 m -77.48 -7.11 55.72 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.217 -0.927 . . . . 0.0 109.27 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.97 -8.97 7.04 Favored Glycine 0 N--CA 1.484 1.881 0 N-CA-C 109.319 -1.513 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -89.93 -24.98 21.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.219 -1.166 . . . . 0.0 110.184 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -83.9 -62.03 1.67 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.303 -0.873 . . . . 0.0 110.23 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.4 ptm -106.3 -22.08 12.92 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.465 -0.772 . . . . 0.0 109.039 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.457 0 O-C-N 120.373 -1.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.452 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.78 82.53 1.72 Allowed 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.35 -1.088 . . . . 0.0 109.65 179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.473 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -50.78 -28.81 10.05 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 176.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.452 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.2 -70.13 0.08 Allowed 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 113.203 -1.817 . . . . 0.0 110.579 176.121 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.45 -22.63 0.28 Allowed 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.033 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 4.2 m -77.53 -7.07 55.72 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.208 -0.932 . . . . 0.0 109.228 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 -9.67 7.25 Favored Glycine 0 N--CA 1.483 1.799 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -82.54 -25.15 33.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.299 -1.118 . . . . 0.0 110.181 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -93.92 -33.86 13.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 0.0 110.222 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.45 -22.53 12.76 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.274 -0.891 . . . . 0.0 108.987 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 O-C-N 120.31 -1.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.438 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.85 82.77 1.74 Allowed 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.295 -1.121 . . . . 0.0 109.492 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -50.75 -28.86 10.05 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 176.804 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.438 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.29 -70.25 0.08 Allowed 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 113.127 -1.852 . . . . 0.0 110.575 176.069 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.54 -22.62 0.29 Allowed 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.044 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.5 m -74.01 -10.44 59.64 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.186 -0.946 . . . . 0.0 109.142 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.29 -9.56 33.53 Favored Glycine 0 N--CA 1.484 1.896 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -90.07 -25.91 20.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.439 -1.036 . . . . 0.0 110.131 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -84.99 -35.58 21.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.273 -0.892 . . . . 0.0 110.242 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.43 -22.57 12.76 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.339 -0.85 . . . . 0.0 109.071 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 120.363 -1.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.448 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.76 82.42 1.7 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.26 -1.141 . . . . 0.0 109.6 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 6' ' ' THR . 2.1 mt -50.73 -28.77 9.81 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.448 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.3 -69.56 0.09 Allowed 'General case' 0 C--N 1.297 -1.674 0 CA-C-N 113.169 -1.832 . . . . 0.0 110.527 176.12 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.84 -21.34 0.4 Allowed 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 114.304 -1.317 . . . . 0.0 111.089 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.9 m -76.4 -8.77 57.84 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.24 -0.912 . . . . 0.0 109.22 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.34 -8.01 7.32 Favored Glycine 0 N--CA 1.483 1.779 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -80.41 -24.68 39.5 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.34 -1.094 . . . . 0.0 110.249 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -93.3 -48.69 6.31 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 0.0 110.275 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.6 mmt -106.55 -21.98 12.9 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.448 -0.782 . . . . 0.0 108.994 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.428 0 O-C-N 120.349 -1.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.436 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.8 82.71 1.74 Allowed 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.177 -1.19 . . . . 0.0 109.569 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -50.74 -28.89 10.08 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 104.776 -2.305 . . . . 0.0 104.776 176.85 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.436 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.2 -70.03 0.08 Allowed 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 113.218 -1.81 . . . . 0.0 110.53 176.196 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.64 -22.36 0.28 Allowed 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 114.329 -1.305 . . . . 0.0 111.016 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.4 m -74.71 -9.7 58.81 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.144 -0.972 . . . . 0.0 109.211 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.15 -7.76 37.33 Favored Glycine 0 N--CA 1.484 1.84 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -90.02 -29.29 18.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.405 -1.056 . . . . 0.0 110.2 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -79.58 -34.1 41.11 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.922 . . . . 0.0 110.26 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' A' ' 6' ' ' THR . 5.4 ptp -106.27 -22.49 12.82 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.293 -0.879 . . . . 0.0 109.047 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.451 0 O-C-N 120.343 -1.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 -106.91 82.85 1.75 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.348 -1.09 . . . . 0.0 109.469 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 6' ' ' THR . 2.5 mp -50.77 -28.81 9.99 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 104.869 -2.271 . . . . 0.0 104.869 176.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.4 -69.24 0.09 Allowed 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 113.191 -1.822 . . . . 0.0 110.621 176.073 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.38 -18.95 0.72 Allowed 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.259 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.6 m -75.77 -10.0 59.06 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.189 -0.944 . . . . 0.0 109.272 179.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.56 -14.43 6.31 Favored Glycine 0 N--CA 1.484 1.889 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -90.12 -26.56 20.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.41 -1.053 . . . . 0.0 110.202 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -89.02 -56.46 3.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -0.898 . . . . 0.0 110.258 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -106.42 -22.36 12.82 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.436 -0.79 . . . . 0.0 108.971 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.444 0 O-C-N 120.397 -1.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.455 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.85 82.75 1.74 Allowed 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.258 -1.142 . . . . 0.0 109.545 179.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -50.95 -28.66 10.27 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 176.833 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.455 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.44 -70.24 0.08 Allowed 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 113.177 -1.828 . . . . 0.0 110.57 176.143 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 9' ' ' PHE . . . -49.08 -20.88 0.61 Allowed 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 114.4 -1.273 . . . . 0.0 111.016 -179.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.6 m -75.92 -9.61 58.75 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.182 -0.949 . . . . 0.0 109.249 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.67 -9.73 22.58 Favored Glycine 0 N--CA 1.484 1.858 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -90.08 -26.03 20.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -1.072 . . . . 0.0 110.259 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 5' ' ' ALA . 22.5 m-85 -78.97 -43.84 23.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 110.194 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.5 mtt -106.42 -22.58 12.76 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.417 -0.802 . . . . 0.0 109.017 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 120.288 -1.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.447 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 121.648 0.737 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -50.69 -28.99 10.1 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 176.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.447 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.28 -69.8 0.08 Allowed 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 113.16 -1.836 . . . . 0.0 110.608 176.18 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.36 -20.37 0.66 Allowed 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 114.364 -1.289 . . . . 0.0 111.144 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 3' ' ' LEU . 5.5 m -77.87 -7.65 57.0 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.194 -0.941 . . . . 0.0 109.304 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.62 -13.86 6.56 Favored Glycine 0 N--CA 1.484 1.89 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -90.09 -38.95 13.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.44 -1.035 . . . . 0.0 110.226 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.395 -0.816 . . . . 0.0 110.229 -179.934 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.463 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.9 m120 . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.594 0.712 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -50.3 -29.14 9.11 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 176.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.463 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.1 OUTLIER -33.27 -66.52 0.14 Allowed 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 113.146 -1.843 . . . . 0.0 110.468 176.128 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.32 -18.34 64.48 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.067 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.2 m -81.24 -7.12 59.51 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.176 -0.953 . . . . 0.0 109.091 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.42 -14.46 5.37 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 8' ' ' HIS . 7.3 t60 -90.13 -25.85 20.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.37 -1.077 . . . . 0.0 110.119 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.315 -0.866 . . . . 0.0 110.201 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.661 0.743 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -50.83 -28.82 10.22 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 104.851 -2.277 . . . . 0.0 104.851 176.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.25 -69.6 0.08 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.544 176.086 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.64 -22.13 0.26 Allowed 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 114.362 -1.29 . . . . 0.0 111.045 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.7 m -74.51 -10.07 59.2 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.133 -0.979 . . . . 0.0 109.121 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.37 -11.31 18.08 Favored Glycine 0 N--CA 1.483 1.818 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.509 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 3.3 t60 -90.03 -37.08 14.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.396 -1.061 . . . . 0.0 110.215 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 N--CA 1.49 1.575 0 O-C-N 121.371 -0.831 . . . . 0.0 110.196 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.48 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.481 1.108 0 CA-C-O 121.603 0.716 . . . . 0.0 109.618 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.5 OUTLIER -51.06 -28.45 10.44 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 176.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.48 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -32.95 -69.13 0.09 Allowed 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 113.204 -1.817 . . . . 0.0 110.607 176.01 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' A' ' 8' ' ' HIS . . . -45.59 -22.52 0.17 Allowed 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 114.235 -1.348 . . . . 0.0 111.155 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.7 m -74.83 -9.84 58.94 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.166 -0.959 . . . . 0.0 109.01 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.69 -10.32 5.95 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 5' ' ' ALA . 9.1 t60 -80.26 -26.31 39.06 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.373 -1.075 . . . . 0.0 110.197 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.224 -0.922 . . . . 0.0 110.211 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.464 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 121.632 0.73 . . . . 0.0 109.562 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 6' ' ' THR . 10.2 mt -50.59 -28.93 9.64 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.464 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.367 0.2 OUTLIER -33.34 -66.32 0.15 Allowed 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 113.193 -1.821 . . . . 0.0 110.475 176.144 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.32 -17.99 64.39 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.143 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.491 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.2 m -81.42 -6.8 59.31 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.178 -0.951 . . . . 0.0 109.075 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.99 -8.79 5.46 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -90.07 -33.66 16.21 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.256 -1.143 . . . . 0.0 110.19 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.88 . . . . 0.0 110.283 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.464 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.603 0.716 . . . . 0.0 109.546 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -50.82 -28.82 10.21 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 176.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.464 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.27 -69.84 0.08 Allowed 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 113.223 -1.808 . . . . 0.0 110.584 176.128 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.93 -21.33 0.41 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.078 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.5 m -75.03 -9.99 59.05 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.195 -0.941 . . . . 0.0 109.226 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.66 -10.4 19.25 Favored Glycine 0 N--CA 1.484 1.86 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.493 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.0 t60 -89.96 -25.52 20.85 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.41 -1.053 . . . . 0.0 110.188 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.281 -0.887 . . . . 0.0 110.215 -179.89 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.487 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 121.693 0.759 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.3 mm? -50.03 -29.43 8.7 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 176.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.487 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.363 0.4 OUTLIER -33.29 -69.67 0.08 Allowed 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 113.008 -1.905 . . . . 0.0 110.714 176.174 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.26 -19.48 0.81 Allowed 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.166 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.7 m -76.41 -9.39 58.61 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.215 -0.928 . . . . 0.0 109.275 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.17 -11.68 6.73 Favored Glycine 0 N--CA 1.485 1.908 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.44 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.9 t60 -90.11 -32.35 16.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.359 -1.083 . . . . 0.0 110.191 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 . . . . . 0 N--CA 1.492 1.628 0 O-C-N 121.357 -0.839 . . . . 0.0 110.198 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.465 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 121.602 0.715 . . . . 0.0 109.577 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.5 OUTLIER -50.48 -28.92 9.24 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 176.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.465 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.2 OUTLIER -33.33 -66.99 0.13 Allowed 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 113.138 -1.846 . . . . 0.0 110.436 176.175 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.62 -20.58 66.37 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-N 114.093 -1.412 . . . . 0.0 111.012 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.3 m -81.52 -6.01 58.54 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.213 -0.929 . . . . 0.0 109.092 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.3 -7.99 6.16 Favored Glycine 0 N--CA 1.485 1.926 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 8' ' ' HIS . 6.2 t60 -86.33 -28.86 23.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.328 -1.101 . . . . 0.0 110.144 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.318 -0.864 . . . . 0.0 110.141 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.472 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 121.66 0.743 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -50.71 -28.84 9.87 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 176.785 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.472 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.41 -69.58 0.09 Allowed 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 113.178 -1.828 . . . . 0.0 110.599 176.129 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.61 -18.39 1.14 Allowed 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.324 -1.307 . . . . 0.0 111.201 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.4 m -75.65 -10.64 59.61 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.213 -0.93 . . . . 0.0 109.249 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.04 -10.98 23.35 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.457 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.7 t60 -90.2 -26.3 20.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.37 -1.077 . . . . 0.0 110.231 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.308 -0.87 . . . . 0.0 110.288 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.439 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 121.664 0.745 . . . . 0.0 109.579 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 6' ' ' THR . 1.1 mp -50.91 -28.73 10.31 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 176.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.439 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.12 -69.91 0.08 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 113.199 -1.819 . . . . 0.0 110.55 176.162 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.96 -22.96 0.24 Allowed 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 114.374 -1.284 . . . . 0.0 111.12 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.6 m -75.15 -9.44 58.55 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.159 -0.963 . . . . 0.0 109.193 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.12 -8.98 23.02 Favored Glycine 0 N--CA 1.483 1.827 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.48 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.6 t60 -89.99 -24.16 21.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.336 -1.097 . . . . 0.0 110.179 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 N--CA 1.492 1.667 0 O-C-N 121.25 -0.906 . . . . 0.0 110.134 -179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.464 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 121.633 0.73 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.3 mm? -50.17 -29.34 9.04 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 176.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.464 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.15 -69.96 0.08 Allowed 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 113.079 -1.873 . . . . 0.0 110.656 176.155 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.74 -17.87 1.56 Allowed 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.176 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 3' ' ' LEU . 5.4 m -79.54 -7.08 58.24 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.218 -0.926 . . . . 0.0 109.395 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.05 -10.48 7.47 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -87.34 -34.52 18.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.282 -1.128 . . . . 0.0 110.245 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.364 -0.835 . . . . 0.0 110.233 -179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.704 0.764 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 3' ' ' LEU . 12.7 mt -50.65 -28.89 9.76 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 104.754 -2.313 . . . . 0.0 104.754 176.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.461 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.2 OUTLIER -33.32 -66.45 0.15 Allowed 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 113.265 -1.789 . . . . 0.0 110.497 176.068 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.99 -18.22 64.66 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.048 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.3 m -81.69 -6.09 58.71 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.164 -0.96 . . . . 0.0 109.251 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.14 -9.66 7.2 Favored Glycine 0 N--CA 1.485 1.91 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.499 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.3 t60 -86.43 -24.43 25.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.377 -1.072 . . . . 0.0 110.139 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.211 -0.93 . . . . 0.0 110.194 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.462 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 . . . . . 0 N--CA 1.482 1.125 0 CA-C-O 121.618 0.723 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.3 mm? -50.14 -29.36 8.99 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 176.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.462 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.1 -69.43 0.09 Allowed 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 113.04 -1.891 . . . . 0.0 110.507 176.221 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.31 -22.13 0.22 Allowed 'General case' 0 C--N 1.294 -1.821 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.17 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.8 m -75.65 -9.42 58.57 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.175 -0.953 . . . . 0.0 109.08 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.58 -8.42 6.35 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.537 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 2.8 t60 -81.36 -25.83 36.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.294 -1.121 . . . . 0.0 110.2 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 0.0 110.223 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.446 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.644 0.735 . . . . 0.0 109.64 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -50.91 -28.79 10.43 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 104.767 -2.309 . . . . 0.0 104.767 176.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.446 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.13 -69.86 0.08 Allowed 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 113.216 -1.811 . . . . 0.0 110.628 176.111 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.4 -22.54 0.27 Allowed 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.067 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 3' ' ' LEU . 4.3 m -77.48 -7.11 55.72 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.217 -0.927 . . . . 0.0 109.27 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.97 -8.97 7.04 Favored Glycine 0 N--CA 1.484 1.881 0 N-CA-C 109.319 -1.513 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.505 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.0 t60 -89.93 -24.98 21.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.219 -1.166 . . . . 0.0 110.184 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 . . . . . 0 N--CA 1.492 1.653 0 O-C-N 121.303 -0.873 . . . . 0.0 110.23 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.452 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 121.66 0.743 . . . . 0.0 109.65 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.473 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -50.78 -28.81 10.05 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 176.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.452 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.2 -70.13 0.08 Allowed 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 113.203 -1.817 . . . . 0.0 110.579 176.121 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.45 -22.63 0.28 Allowed 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.033 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 4.2 m -77.53 -7.07 55.72 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.208 -0.932 . . . . 0.0 109.228 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 -9.67 7.25 Favored Glycine 0 N--CA 1.483 1.799 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.46 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.5 t60 -82.54 -25.15 33.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.299 -1.118 . . . . 0.0 110.181 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 . . . . . 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 0.0 110.222 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.438 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 121.702 0.763 . . . . 0.0 109.492 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -50.75 -28.86 10.05 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 176.804 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.438 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.29 -70.25 0.08 Allowed 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 113.127 -1.852 . . . . 0.0 110.575 176.069 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.54 -22.62 0.29 Allowed 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.044 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.5 m -74.01 -10.44 59.64 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.186 -0.946 . . . . 0.0 109.142 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.29 -9.56 33.53 Favored Glycine 0 N--CA 1.484 1.896 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -90.07 -25.91 20.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.439 -1.036 . . . . 0.0 110.131 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.273 -0.892 . . . . 0.0 110.242 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.448 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 121.618 0.723 . . . . 0.0 109.6 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 6' ' ' THR . 2.1 mt -50.73 -28.77 9.81 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.448 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.3 -69.56 0.09 Allowed 'General case' 0 C--N 1.297 -1.674 0 CA-C-N 113.169 -1.832 . . . . 0.0 110.527 176.12 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.84 -21.34 0.4 Allowed 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 114.304 -1.317 . . . . 0.0 111.089 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.9 m -76.4 -8.77 57.84 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.24 -0.912 . . . . 0.0 109.22 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.34 -8.01 7.32 Favored Glycine 0 N--CA 1.483 1.779 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.48 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.6 t60 -80.41 -24.68 39.5 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.34 -1.094 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 0.0 110.275 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.436 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 121.674 0.749 . . . . 0.0 109.569 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -50.74 -28.89 10.08 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 104.776 -2.305 . . . . 0.0 104.776 176.85 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.436 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.2 -70.03 0.08 Allowed 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 113.218 -1.81 . . . . 0.0 110.53 176.196 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.64 -22.36 0.28 Allowed 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 114.329 -1.305 . . . . 0.0 111.016 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.4 m -74.71 -9.7 58.81 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.144 -0.972 . . . . 0.0 109.211 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.15 -7.76 37.33 Favored Glycine 0 N--CA 1.484 1.84 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -90.02 -29.29 18.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.405 -1.056 . . . . 0.0 110.2 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.922 . . . . 0.0 110.26 -179.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 . . . . . 0 N--CA 1.481 1.113 0 CA-C-O 121.752 0.787 . . . . 0.0 109.469 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 6' ' ' THR . 2.5 mp -50.77 -28.81 9.99 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 104.869 -2.271 . . . . 0.0 104.869 176.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.4 -69.24 0.09 Allowed 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 113.191 -1.822 . . . . 0.0 110.621 176.073 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.38 -18.95 0.72 Allowed 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.259 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.6 m -75.77 -10.0 59.06 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.189 -0.944 . . . . 0.0 109.272 179.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.56 -14.43 6.31 Favored Glycine 0 N--CA 1.484 1.889 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.46 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.8 t60 -90.12 -26.56 20.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.41 -1.053 . . . . 0.0 110.202 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.263 -0.898 . . . . 0.0 110.258 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . 0.455 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 121.629 0.728 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -50.95 -28.66 10.27 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 176.833 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.455 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.44 -70.24 0.08 Allowed 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 113.177 -1.828 . . . . 0.0 110.57 176.143 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 9' ' ' PHE . . . -49.08 -20.88 0.61 Allowed 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 114.4 -1.273 . . . . 0.0 111.016 -179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.6 m -75.92 -9.61 58.75 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.182 -0.949 . . . . 0.0 109.249 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.67 -9.73 22.58 Favored Glycine 0 N--CA 1.484 1.858 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' HIS . . . . . 0.456 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.8 t60 -90.08 -26.03 20.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -1.072 . . . . 0.0 110.259 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 5' ' ' ALA . 22.5 m-85 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 110.194 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.447 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.87 82.92 1.76 Allowed 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.214 -1.168 . . . . 0.0 109.466 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -50.69 -28.99 10.1 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.82 -2.289 . . . . 0.0 104.82 176.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.447 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.28 -69.8 0.08 Allowed 'General case' 0 C--N 1.298 -1.671 0 CA-C-N 113.16 -1.836 . . . . 0.0 110.608 176.18 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.36 -20.37 0.66 Allowed 'General case' 0 C--N 1.294 -1.824 0 CA-C-N 114.364 -1.289 . . . . 0.0 111.144 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 3' ' ' LEU . 5.5 m -77.87 -7.65 57.0 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.194 -0.941 . . . . 0.0 109.304 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.62 -13.86 6.56 Favored Glycine 0 N--CA 1.484 1.89 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -90.09 -38.95 13.2 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.44 -1.035 . . . . 0.0 110.226 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -95.13 -34.3 12.32 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.395 -0.816 . . . . 0.0 110.229 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.8 mmt -106.42 -23.03 12.63 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.326 -0.859 . . . . 0.0 109.081 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.437 0 O-C-N 120.372 -1.455 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.353 0 N-CA-C 109.64 -1.384 . . . . 0.0 109.64 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.463 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.9 m120 -106.72 82.68 1.74 Allowed 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.295 -1.121 . . . . 0.0 109.567 179.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -50.3 -29.14 9.11 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 104.78 -2.304 . . . . 0.0 104.78 176.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.463 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.1 OUTLIER -33.27 -66.52 0.14 Allowed 'General case' 0 C--N 1.297 -1.698 0 CA-C-N 113.146 -1.843 . . . . 0.0 110.468 176.128 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.32 -18.34 64.48 Favored 'General case' 0 C--N 1.293 -1.848 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.067 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.2 m -81.24 -7.12 59.51 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.176 -0.953 . . . . 0.0 109.091 179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.42 -14.46 5.37 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 109.195 -1.562 . . . . 0.0 109.195 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.43 ' CD2' ' C ' ' A' ' 8' ' ' HIS . 7.3 t60 -90.13 -25.85 20.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.37 -1.077 . . . . 0.0 110.119 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -94.21 -34.15 13.0 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.315 -0.866 . . . . 0.0 110.201 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.1 ttp -106.4 -21.31 13.12 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.373 -0.829 . . . . 0.0 109.046 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.401 0 O-C-N 120.325 -1.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.8 82.62 1.73 Allowed 'General case' 0 C--N 1.306 -1.315 0 O-C-N 121.236 -1.155 . . . . 0.0 109.631 179.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -50.83 -28.82 10.22 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 104.851 -2.277 . . . . 0.0 104.851 176.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.25 -69.6 0.08 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-N 113.182 -1.826 . . . . 0.0 110.544 176.086 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.64 -22.13 0.26 Allowed 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 114.362 -1.29 . . . . 0.0 111.045 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.7 m -74.51 -10.07 59.2 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.133 -0.979 . . . . 0.0 109.121 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.37 -11.31 18.08 Favored Glycine 0 N--CA 1.483 1.818 0 N-CA-C 109.311 -1.515 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.509 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 3.3 t60 -90.03 -37.08 14.54 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.396 -1.061 . . . . 0.0 110.215 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -95.12 -33.72 12.55 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.371 -0.831 . . . . 0.0 110.196 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.34 -22.48 12.8 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.354 -0.841 . . . . 0.0 108.967 179.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.416 0 O-C-N 120.351 -1.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.328 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.48 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.81 82.21 1.67 Allowed 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.255 -1.144 . . . . 0.0 109.618 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.478 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.5 OUTLIER -51.06 -28.45 10.44 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 104.899 -2.26 . . . . 0.0 104.899 176.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.48 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -32.95 -69.13 0.09 Allowed 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 113.204 -1.817 . . . . 0.0 110.607 176.01 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.424 ' HA ' ' HB3' ' A' ' 8' ' ' HIS . . . -45.59 -22.52 0.17 Allowed 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 114.235 -1.348 . . . . 0.0 111.155 -179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.7 m -74.83 -9.84 58.94 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.166 -0.959 . . . . 0.0 109.01 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 11' ' ' NH2 . . . -122.69 -10.32 5.95 Favored Glycine 0 N--CA 1.484 1.845 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 5' ' ' ALA . 9.1 t60 -80.26 -26.31 39.06 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.373 -1.075 . . . . 0.0 110.197 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -72.14 -37.92 69.33 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.224 -0.922 . . . . 0.0 110.211 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.1 tpt -106.57 -23.61 12.42 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.286 -0.884 . . . . 0.0 108.989 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . 0.438 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 120.289 -1.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.569 -1.413 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.464 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.87 82.85 1.75 Allowed 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.186 -1.185 . . . . 0.0 109.562 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 6' ' ' THR . 10.2 mt -50.59 -28.93 9.64 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.464 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.367 0.2 OUTLIER -33.34 -66.32 0.15 Allowed 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 113.193 -1.821 . . . . 0.0 110.475 176.144 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.32 -17.99 64.39 Favored 'General case' 0 C--N 1.292 -1.901 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.143 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.521 ' O ' ' CG ' ' A' ' 10' ' ' MET . 3.2 m -81.42 -6.8 59.31 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.178 -0.951 . . . . 0.0 109.075 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.99 -8.79 5.46 Favored Glycine 0 N--CA 1.486 1.992 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -90.07 -33.66 16.21 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.256 -1.143 . . . . 0.0 110.19 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -95.16 -41.74 8.93 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.293 -0.88 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.521 ' CG ' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -106.31 -24.41 12.28 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.404 -0.81 . . . . 0.0 109.091 179.556 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.447 0 O-C-N 120.444 -1.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.464 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.74 82.7 1.74 Allowed 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.261 -1.141 . . . . 0.0 109.546 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -50.82 -28.82 10.21 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 104.805 -2.294 . . . . 0.0 104.805 176.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.464 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.27 -69.84 0.08 Allowed 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 113.223 -1.808 . . . . 0.0 110.584 176.128 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.93 -21.33 0.41 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 114.34 -1.3 . . . . 0.0 111.078 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.5 m -75.03 -9.99 59.05 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.195 -0.941 . . . . 0.0 109.226 179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.66 -10.4 19.25 Favored Glycine 0 N--CA 1.484 1.86 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.493 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.0 t60 -89.96 -25.52 20.85 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.41 -1.053 . . . . 0.0 110.188 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -94.8 -34.09 12.62 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.281 -0.887 . . . . 0.0 110.215 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.9 ttt -106.48 -22.24 12.84 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.337 -0.852 . . . . 0.0 108.961 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 O-C-N 120.475 -1.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.487 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 -106.75 82.52 1.72 Allowed 'General case' 0 C--N 1.304 -1.381 0 O-C-N 121.256 -1.144 . . . . 0.0 109.592 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.3 mm? -50.03 -29.43 8.7 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 104.939 -2.245 . . . . 0.0 104.939 176.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.487 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.363 0.4 OUTLIER -33.29 -69.67 0.08 Allowed 'General case' 0 C--N 1.297 -1.717 0 CA-C-N 113.008 -1.905 . . . . 0.0 110.714 176.174 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.26 -19.48 0.81 Allowed 'General case' 0 C--N 1.294 -1.813 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.166 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.7 m -76.41 -9.39 58.61 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.215 -0.928 . . . . 0.0 109.275 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.17 -11.68 6.73 Favored Glycine 0 N--CA 1.485 1.908 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.44 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.9 t60 -90.11 -32.35 16.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.359 -1.083 . . . . 0.0 110.191 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -95.06 -33.9 12.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.357 -0.839 . . . . 0.0 110.198 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.4 ttp -106.36 -22.51 12.79 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.429 -0.794 . . . . 0.0 109.057 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.408 0 O-C-N 120.33 -1.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.371 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.465 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.74 82.52 1.72 Allowed 'General case' 0 C--N 1.304 -1.406 0 O-C-N 121.24 -1.153 . . . . 0.0 109.577 179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.5 OUTLIER -50.48 -28.92 9.24 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 176.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.465 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.2 OUTLIER -33.33 -66.99 0.13 Allowed 'General case' 0 C--N 1.297 -1.706 0 CA-C-N 113.138 -1.846 . . . . 0.0 110.436 176.175 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.62 -20.58 66.37 Favored 'General case' 0 C--N 1.293 -1.874 0 CA-C-N 114.093 -1.412 . . . . 0.0 111.012 -178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.494 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.3 m -81.52 -6.01 58.54 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.213 -0.929 . . . . 0.0 109.092 179.272 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.3 -7.99 6.16 Favored Glycine 0 N--CA 1.485 1.926 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 8' ' ' HIS . 6.2 t60 -86.33 -28.86 23.42 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.328 -1.101 . . . . 0.0 110.144 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -95.1 -33.82 12.53 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.318 -0.864 . . . . 0.0 110.141 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.5 ttt -106.41 -22.5 12.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.362 -0.836 . . . . 0.0 109.022 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.408 -1.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.472 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.86 82.66 1.73 Allowed 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.276 -1.132 . . . . 0.0 109.502 179.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.4 OUTLIER -50.71 -28.84 9.87 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 104.835 -2.283 . . . . 0.0 104.835 176.785 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.472 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.41 -69.58 0.09 Allowed 'General case' 0 C--N 1.297 -1.693 0 CA-C-N 113.178 -1.828 . . . . 0.0 110.599 176.129 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -51.61 -18.39 1.14 Allowed 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.324 -1.307 . . . . 0.0 111.201 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.505 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.4 m -75.65 -10.64 59.61 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.213 -0.93 . . . . 0.0 109.249 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.04 -10.98 23.35 Favored Glycine 0 N--CA 1.484 1.891 0 N-CA-C 109.294 -1.523 . . . . 0.0 109.294 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.457 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.7 t60 -90.2 -26.3 20.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.37 -1.077 . . . . 0.0 110.231 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -90.1 -34.17 16.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.308 -0.87 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.42 -22.6 12.75 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.258 -0.901 . . . . 0.0 109.041 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.441 0 O-C-N 120.383 -1.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.439 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.83 82.58 1.72 Allowed 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.205 -1.174 . . . . 0.0 109.579 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 6' ' ' THR . 1.1 mp -50.91 -28.73 10.31 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.785 -2.302 . . . . 0.0 104.785 176.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.439 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.12 -69.91 0.08 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 113.199 -1.819 . . . . 0.0 110.55 176.162 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -45.96 -22.96 0.24 Allowed 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 114.374 -1.284 . . . . 0.0 111.12 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.6 m -75.15 -9.44 58.55 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.159 -0.963 . . . . 0.0 109.193 179.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.12 -8.98 23.02 Favored Glycine 0 N--CA 1.483 1.827 0 N-CA-C 109.307 -1.517 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.48 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.6 t60 -89.99 -24.16 21.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.336 -1.097 . . . . 0.0 110.179 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -86.22 -34.79 20.35 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.25 -0.906 . . . . 0.0 110.134 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.42 -21.8 12.98 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.395 -0.815 . . . . 0.0 108.998 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.41 0 O-C-N 120.376 -1.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.464 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 -106.64 82.21 1.69 Allowed 'General case' 0 C--N 1.306 -1.325 0 O-C-N 121.272 -1.134 . . . . 0.0 109.571 179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.556 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.3 mm? -50.17 -29.34 9.04 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 176.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.464 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.15 -69.96 0.08 Allowed 'General case' 0 C--N 1.295 -1.78 0 CA-C-N 113.079 -1.873 . . . . 0.0 110.656 176.155 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -52.74 -17.87 1.56 Allowed 'General case' 0 C--N 1.293 -1.853 0 CA-C-N 114.384 -1.28 . . . . 0.0 111.176 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.47 ' HB ' ' O ' ' A' ' 3' ' ' LEU . 5.4 m -79.54 -7.08 58.24 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.218 -0.926 . . . . 0.0 109.395 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.05 -10.48 7.47 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 109.368 -1.493 . . . . 0.0 109.368 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -87.34 -34.52 18.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.282 -1.128 . . . . 0.0 110.245 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -94.94 -33.14 12.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.364 -0.835 . . . . 0.0 110.233 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -106.31 -18.83 13.88 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.409 -0.807 . . . . 0.0 108.938 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.423 0 O-C-N 120.4 -1.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.461 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.8 82.9 1.77 Allowed 'General case' 0 C--N 1.304 -1.374 0 O-C-N 121.236 -1.156 . . . . 0.0 109.563 179.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 3' ' ' LEU . 12.7 mt -50.65 -28.89 9.76 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 104.754 -2.313 . . . . 0.0 104.754 176.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.461 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.2 OUTLIER -33.32 -66.45 0.15 Allowed 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 113.265 -1.789 . . . . 0.0 110.497 176.068 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.99 -18.22 64.66 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 114.019 -1.446 . . . . 0.0 111.048 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.489 ' N ' ' O ' ' A' ' 3' ' ' LEU . 3.3 m -81.69 -6.09 58.71 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.164 -0.96 . . . . 0.0 109.251 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.14 -9.66 7.2 Favored Glycine 0 N--CA 1.485 1.91 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.499 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.3 t60 -86.43 -24.43 25.68 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.377 -1.072 . . . . 0.0 110.139 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -94.96 -33.79 12.62 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.211 -0.93 . . . . 0.0 110.194 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.41 -22.75 12.71 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.346 -0.846 . . . . 0.0 108.939 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.416 0 O-C-N 120.351 -1.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.596 -1.402 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.462 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 -106.88 82.42 1.69 Allowed 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.305 -1.114 . . . . 0.0 109.542 179.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 3' ' ' LEU . 3.3 mm? -50.14 -29.36 8.99 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 176.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.462 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.1 -69.43 0.09 Allowed 'General case' 0 C--N 1.297 -1.713 0 CA-C-N 113.04 -1.891 . . . . 0.0 110.507 176.221 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.31 -22.13 0.22 Allowed 'General case' 0 C--N 1.294 -1.821 0 CA-C-N 114.298 -1.319 . . . . 0.0 111.17 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.8 m -75.65 -9.42 58.57 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.175 -0.953 . . . . 0.0 109.08 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 11' ' ' NH2 . . . -123.58 -8.42 6.35 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.537 ' O ' ' CD2' ' A' ' 8' ' ' HIS . 2.8 t60 -81.36 -25.83 36.01 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.294 -1.121 . . . . 0.0 110.2 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -89.47 -34.04 16.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 0.0 110.223 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -106.46 -22.48 12.78 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.282 -0.886 . . . . 0.0 109.03 179.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . 0.414 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . . . . . . 0 C--N 1.304 -1.373 0 O-C-N 120.311 -1.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.446 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.71 82.41 1.71 Allowed 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.285 -1.127 . . . . 0.0 109.64 179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -50.91 -28.79 10.43 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 104.767 -2.309 . . . . 0.0 104.767 176.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.446 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.13 -69.86 0.08 Allowed 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 113.216 -1.811 . . . . 0.0 110.628 176.111 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.4 -22.54 0.27 Allowed 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 114.422 -1.263 . . . . 0.0 111.067 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.487 ' N ' ' O ' ' A' ' 3' ' ' LEU . 4.3 m -77.48 -7.11 55.72 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.217 -0.927 . . . . 0.0 109.27 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.97 -8.97 7.04 Favored Glycine 0 N--CA 1.484 1.881 0 N-CA-C 109.319 -1.513 . . . . 0.0 109.319 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.505 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.0 t60 -89.93 -24.98 21.16 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.219 -1.166 . . . . 0.0 110.184 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -83.9 -62.03 1.67 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.303 -0.873 . . . . 0.0 110.23 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 9.4 ptm -106.3 -22.08 12.92 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.465 -0.772 . . . . 0.0 109.039 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.457 0 O-C-N 120.373 -1.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.452 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.78 82.53 1.72 Allowed 'General case' 0 C--N 1.306 -1.309 0 O-C-N 121.35 -1.088 . . . . 0.0 109.65 179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.473 ' O ' ' CB ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -50.78 -28.81 10.05 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 104.783 -2.303 . . . . 0.0 104.783 176.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.452 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.2 -70.13 0.08 Allowed 'General case' 0 C--N 1.298 -1.67 0 CA-C-N 113.203 -1.817 . . . . 0.0 110.579 176.121 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.45 -22.63 0.28 Allowed 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 114.398 -1.274 . . . . 0.0 111.033 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 4.2 m -77.53 -7.07 55.72 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.208 -0.932 . . . . 0.0 109.228 179.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.06 -9.67 7.25 Favored Glycine 0 N--CA 1.483 1.799 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.46 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.5 t60 -82.54 -25.15 33.65 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.299 -1.118 . . . . 0.0 110.181 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -93.92 -33.86 13.32 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.212 -0.93 . . . . 0.0 110.222 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.45 -22.53 12.76 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.274 -0.891 . . . . 0.0 108.987 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.442 0 O-C-N 120.31 -1.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.369 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.438 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.85 82.77 1.74 Allowed 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.295 -1.121 . . . . 0.0 109.492 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -50.75 -28.86 10.05 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 104.874 -2.269 . . . . 0.0 104.874 176.804 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.438 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.29 -70.25 0.08 Allowed 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 113.127 -1.852 . . . . 0.0 110.575 176.069 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.54 -22.62 0.29 Allowed 'General case' 0 C--N 1.293 -1.86 0 CA-C-N 114.383 -1.28 . . . . 0.0 111.044 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.515 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.5 m -74.01 -10.44 59.64 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.186 -0.946 . . . . 0.0 109.142 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.29 -9.56 33.53 Favored Glycine 0 N--CA 1.484 1.896 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -90.07 -25.91 20.53 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.439 -1.036 . . . . 0.0 110.131 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -84.99 -35.58 21.88 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.273 -0.892 . . . . 0.0 110.242 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -106.43 -22.57 12.76 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.339 -0.85 . . . . 0.0 109.071 179.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 120.363 -1.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.348 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.448 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.76 82.42 1.7 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.26 -1.141 . . . . 0.0 109.6 179.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 6' ' ' THR . 2.1 mt -50.73 -28.77 9.81 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.448 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.366 0.4 OUTLIER -33.3 -69.56 0.09 Allowed 'General case' 0 C--N 1.297 -1.674 0 CA-C-N 113.169 -1.832 . . . . 0.0 110.527 176.12 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -47.84 -21.34 0.4 Allowed 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 114.304 -1.317 . . . . 0.0 111.089 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.9 m -76.4 -8.77 57.84 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.24 -0.912 . . . . 0.0 109.22 179.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -122.34 -8.01 7.32 Favored Glycine 0 N--CA 1.483 1.779 0 N-CA-C 109.391 -1.484 . . . . 0.0 109.391 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.48 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 4.6 t60 -80.41 -24.68 39.5 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.34 -1.094 . . . . 0.0 110.249 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -93.3 -48.69 6.31 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.342 -0.849 . . . . 0.0 110.275 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.6 mmt -106.55 -21.98 12.9 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.448 -0.782 . . . . 0.0 108.994 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.428 0 O-C-N 120.349 -1.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.436 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.7 m120 -106.8 82.71 1.74 Allowed 'General case' 0 C--N 1.306 -1.303 0 O-C-N 121.177 -1.19 . . . . 0.0 109.569 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -50.74 -28.89 10.08 Favored 'General case' 0 N--CA 1.496 1.825 0 N-CA-C 104.776 -2.305 . . . . 0.0 104.776 176.85 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.436 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.2 -70.03 0.08 Allowed 'General case' 0 C--N 1.297 -1.696 0 CA-C-N 113.218 -1.81 . . . . 0.0 110.53 176.196 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.64 -22.36 0.28 Allowed 'General case' 0 C--N 1.294 -1.811 0 CA-C-N 114.329 -1.305 . . . . 0.0 111.016 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.513 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.4 m -74.71 -9.7 58.81 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.144 -0.972 . . . . 0.0 109.211 179.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.15 -7.76 37.33 Favored Glycine 0 N--CA 1.484 1.84 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -90.02 -29.29 18.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.405 -1.056 . . . . 0.0 110.2 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -79.58 -34.1 41.11 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.224 -0.922 . . . . 0.0 110.26 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' A' ' 6' ' ' THR . 5.4 ptp -106.27 -22.49 12.82 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.293 -0.879 . . . . 0.0 109.047 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.451 0 O-C-N 120.343 -1.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.47 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.6 m120 -106.91 82.85 1.75 Allowed 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.348 -1.09 . . . . 0.0 109.469 179.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.506 ' O ' ' CB ' ' A' ' 6' ' ' THR . 2.5 mp -50.77 -28.81 9.99 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 104.869 -2.271 . . . . 0.0 104.869 176.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.47 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.365 0.4 OUTLIER -33.4 -69.24 0.09 Allowed 'General case' 0 C--N 1.297 -1.682 0 CA-C-N 113.191 -1.822 . . . . 0.0 110.621 176.073 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.38 -18.95 0.72 Allowed 'General case' 0 C--N 1.294 -1.806 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.259 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.506 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.6 m -75.77 -10.0 59.06 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.189 -0.944 . . . . 0.0 109.272 179.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.56 -14.43 6.31 Favored Glycine 0 N--CA 1.484 1.889 0 N-CA-C 109.261 -1.536 . . . . 0.0 109.261 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.46 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.8 t60 -90.12 -26.56 20.14 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.41 -1.053 . . . . 0.0 110.202 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -89.02 -56.46 3.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.263 -0.898 . . . . 0.0 110.258 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -106.42 -22.36 12.82 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.436 -0.79 . . . . 0.0 108.971 179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.444 0 O-C-N 120.397 -1.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.455 ' C ' ' N ' ' A' ' 4' ' ' TRP . 5.8 m120 -106.85 82.75 1.74 Allowed 'General case' 0 C--N 1.305 -1.338 0 O-C-N 121.258 -1.142 . . . . 0.0 109.545 179.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' A' ' 6' ' ' THR . 0.3 OUTLIER -50.95 -28.66 10.27 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 104.862 -2.273 . . . . 0.0 104.862 176.833 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.455 ' N ' ' C ' ' A' ' 2' ' ' ASN 0.364 0.4 OUTLIER -33.44 -70.24 0.08 Allowed 'General case' 0 C--N 1.297 -1.71 0 CA-C-N 113.177 -1.828 . . . . 0.0 110.57 176.143 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 9' ' ' PHE . . . -49.08 -20.88 0.61 Allowed 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 114.4 -1.273 . . . . 0.0 111.016 -179.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 3' ' ' LEU . 1.6 m -75.92 -9.61 58.75 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.182 -0.949 . . . . 0.0 109.249 179.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.67 -9.73 22.58 Favored Glycine 0 N--CA 1.484 1.858 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.456 ' C ' ' CD2' ' A' ' 8' ' ' HIS . 5.8 t60 -90.08 -26.03 20.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.378 -1.072 . . . . 0.0 110.259 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 5' ' ' ALA . 22.5 m-85 -78.97 -43.84 23.66 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.27 -0.894 . . . . 0.0 110.194 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.5 mtt -106.42 -22.58 12.76 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.417 -0.802 . . . . 0.0 109.017 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 120.288 -1.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_