data_1i98_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 1i98 _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' ' ' CYS . . . . . . . . . . . . . 78.7 m . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 121.645 0.736 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -88.54 79.07 7.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.082 -1.011 . . . . 0.0 109.92 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -151.27 -167.0 2.68 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.025 -1.047 . . . . 0.0 109.767 178.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mt -80.91 162.09 24.07 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.044 -1.035 . . . . 0.0 110.219 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -13.79 57.17 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.957 -1.089 . . . . 0.0 110.905 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.92 24.66 25.44 Favored Glycine 0 N--CA 1.497 2.716 0 C-N-CA 119.963 -1.113 . . . . 0.0 110.734 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -98.18 -157.49 0.6 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.196 -1.179 . . . . 0.0 110.363 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -82.22 -174.8 5.33 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.141 -0.975 . . . . 0.0 110.53 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -71.84 -167.33 0.27 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.377 -0.827 . . . . 0.0 110.197 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -56.09 -175.82 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.45 -0.781 . . . . 0.0 110.524 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.056 -1.028 . . . . 0.0 109.391 -178.668 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.119 0.485 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -112.03 30.12 7.3 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.329 -0.857 . . . . 0.0 110.271 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.16 53.46 0.82 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.435 -0.791 . . . . 0.0 110.467 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.93 52.97 2.09 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.423 -0.798 . . . . 0.0 110.112 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -27.86 63.5 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.24 -0.913 . . . . 0.0 110.342 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.94 32.79 1.89 Allowed Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 38.41 32.89 0.06 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.882 -0.775 . . . . 0.0 111.955 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.48 -69.05 0.67 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.397 -0.814 . . . . 0.0 109.982 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -72.74 79.95 1.12 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.78 -0.575 . . . . 0.0 110.528 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -76.79 121.01 22.74 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.324 -0.86 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.3 m . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.338 -0.851 . . . . 0.0 110.33 179.604 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 121.437 0.637 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -122.46 -82.88 0.65 Allowed 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.559 -0.713 . . . . 0.0 109.413 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -90.62 122.32 33.31 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.676 -0.64 . . . . 0.0 111.764 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.5 mt -91.12 59.25 3.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.147 -0.971 . . . . 0.0 110.277 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -67.3 -24.13 65.73 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.089 -1.007 . . . . 0.0 109.411 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.14 42.16 2.04 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 108.605 -1.798 . . . . 0.0 108.605 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.08 -151.08 0.3 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.379 -1.071 . . . . 0.0 109.642 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -82.17 -7.0 59.61 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.035 -1.041 . . . . 0.0 110.953 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -89.36 46.19 1.35 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.289 -0.882 . . . . 0.0 111.179 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -106.41 -35.65 7.05 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.27 -0.894 . . . . 0.0 110.623 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.613 -0.68 . . . . 0.0 110.091 179.703 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.496 1.854 0 CA-C-O 121.148 0.499 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -101.48 129.48 47.54 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.337 -0.852 . . . . 0.0 110.607 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -85.5 114.99 22.94 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.334 -0.854 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.3 mt -83.66 165.01 19.32 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.081 -1.012 . . . . 0.0 110.232 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -70.56 -24.83 62.85 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.109 -0.994 . . . . 0.0 109.446 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.07 32.19 7.4 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -144.72 138.49 27.26 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.37 -1.077 . . . . 0.0 110.647 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -91.35 -105.64 0.1 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.496 -0.752 . . . . 0.0 110.391 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -101.36 47.5 0.91 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.955 -1.09 . . . . 0.0 111.654 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -101.01 124.52 46.86 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.964 -1.085 . . . . 0.0 111.413 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t . . . . . 0 N--CA 1.499 1.994 0 O-C-N 121.085 -1.009 . . . . 0.0 110.394 178.894 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 121.085 0.469 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -86.55 -0.97 57.2 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.308 -0.87 . . . . 0.0 109.777 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -157.74 157.42 33.41 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.236 -0.915 . . . . 0.0 109.636 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.8 mt -73.02 83.14 1.25 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -52.78 57.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.59 -0.694 . . . . 0.0 109.893 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 9' ' ' TRP . . . -98.67 23.34 36.71 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 55.58 -89.34 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.562 -0.964 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -89.74 4.85 48.37 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.028 -1.045 . . . . 0.0 111.486 -179.569 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 ttm-85 -101.84 131.96 47.88 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.045 -1.034 . . . . 0.0 111.607 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -92.11 129.8 37.98 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.008 -1.057 . . . . 0.0 110.789 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.189 179.203 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.0 m . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 121.282 0.563 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -105.59 -171.44 1.91 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.357 -0.839 . . . . 0.0 110.46 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -84.55 -166.7 1.53 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.249 -0.907 . . . . 0.0 110.01 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.94 78.08 4.44 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.295 -0.878 . . . . 0.0 109.235 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -66.91 -27.81 67.8 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.396 -0.815 . . . . 0.0 109.856 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.76 28.39 3.96 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 54.35 25.45 5.98 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.29 -1.124 . . . . 0.0 110.554 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -84.0 -161.15 0.5 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.277 -0.889 . . . . 0.0 110.731 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -67.15 146.73 53.95 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.361 -0.837 . . . . 0.0 110.711 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -87.0 155.98 19.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.408 -0.807 . . . . 0.0 111.656 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.477 -0.764 . . . . 0.0 110.039 178.873 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.3 p . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.403 0.62 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -96.53 26.52 4.37 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.239 -0.913 . . . . 0.0 110.244 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -117.59 133.96 55.39 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.304 -0.872 . . . . 0.0 110.146 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.72 64.45 0.63 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.294 -0.878 . . . . 0.0 110.43 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.4 mtp-105 -63.73 -34.11 77.16 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.2 -0.938 . . . . 0.0 109.855 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 9' ' ' TRP . . . -106.64 35.66 4.9 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.89 -72.96 0.06 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.553 -0.969 . . . . 0.0 110.663 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -110.42 117.97 35.02 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.245 -0.91 . . . . 0.0 110.397 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.49 139.65 40.62 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.237 -0.914 . . . . 0.0 110.446 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.28 73.99 9.28 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.257 -0.902 . . . . 0.0 111.001 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.495 1.787 0 O-C-N 121.114 -0.991 . . . . 0.0 110.248 179.165 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 121.159 0.504 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -114.19 104.22 11.88 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.443 -0.786 . . . . 0.0 110.765 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -87.85 68.17 9.27 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.391 -0.818 . . . . 0.0 111.387 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mt -91.52 176.19 6.64 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.924 -1.11 . . . . 0.0 111.225 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -26.74 65.88 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.109 -0.995 . . . . 0.0 109.434 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.79 45.4 1.32 Allowed Glycine 0 N--CA 1.488 2.12 0 N-CA-C 108.187 -1.965 . . . . 0.0 108.187 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -76.41 153.73 35.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.376 -1.073 . . . . 0.0 110.328 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -101.11 -78.81 0.52 Allowed 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.696 0.76 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -76.95 138.33 39.6 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.686 -0.634 . . . . 0.0 111.314 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -88.97 102.14 14.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.381 -0.825 . . . . 0.0 110.559 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.079 -1.013 . . . . 0.0 110.033 179.538 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 121.493 0.663 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -98.58 137.85 36.62 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.433 -0.792 . . . . 0.0 109.52 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.466 ' CD2' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -155.86 -156.57 0.65 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.551 -0.718 . . . . 0.0 110.327 -179.486 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 4' ' ' TRP . 0.9 OUTLIER -77.76 -145.02 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.638 -0.664 . . . . 0.0 110.212 -179.772 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.405 ' N ' HD13 ' A' ' 5' ' ' LEU . 4.5 mtm105 -65.45 -11.29 41.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.337 -0.852 . . . . 0.0 110.345 -179.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.41 -20.27 69.46 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 108.906 -1.678 . . . . 0.0 108.906 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.98 -138.74 0.56 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.361 -1.082 . . . . 0.0 112.178 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -80.85 89.36 5.83 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.267 -0.895 . . . . 0.0 111.067 -178.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -78.79 -171.5 2.59 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.292 -0.88 . . . . 0.0 111.799 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.8 97.66 3.95 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.559 -0.713 . . . . 0.0 110.535 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.7 m . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.299 -0.876 . . . . 0.0 110.62 179.759 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.366 0.603 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.91 66.45 0.78 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -149.35 83.59 1.43 Allowed 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.28 -0.888 . . . . 0.0 110.546 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.598 ' CD1' ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -101.53 53.63 0.82 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.707 -0.621 . . . . 0.0 111.439 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -74.82 53.1 0.56 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.898 -1.126 . . . . 0.0 109.859 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.67 -6.94 0.32 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.5 t70 55.92 81.38 0.12 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.189 -1.183 . . . . 0.0 110.841 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -101.02 -155.79 0.53 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.304 -0.872 . . . . 0.0 111.152 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -70.61 -165.56 0.11 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.224 -0.922 . . . . 0.0 109.355 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -73.07 168.97 17.98 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.232 -0.917 . . . . 0.0 110.361 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.447 -0.783 . . . . 0.0 110.73 179.565 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.281 0.562 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -115.41 41.87 2.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.404 -0.81 . . . . 0.0 110.357 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -117.67 54.13 0.91 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.463 -0.773 . . . . 0.0 110.25 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.82 52.34 0.9 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.807 . . . . 0.0 109.976 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -63.56 -28.92 70.26 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.34 -0.85 . . . . 0.0 109.971 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.15 31.08 3.95 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.67 144.21 50.7 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.423 -1.045 . . . . 0.0 110.453 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -99.7 -20.98 16.01 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.294 -0.879 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -105.92 165.19 11.38 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.399 -0.813 . . . . 0.0 110.669 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -86.79 -171.68 3.64 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.264 -0.898 . . . . 0.0 110.659 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 88.5 m . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.352 -0.842 . . . . 0.0 110.119 179.473 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 121.166 0.508 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.5 ' O ' ' CD1' ' A' ' 4' ' ' TRP . 20.4 mmt180 -120.78 11.0 11.07 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.248 -0.907 . . . . 0.0 110.736 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.5 ' CD1' ' O ' ' A' ' 3' ' ' ARG . 18.8 m0 -144.54 154.97 43.43 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.225 -0.922 . . . . 0.0 110.024 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -113.05 78.48 1.14 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.58 -0.7 . . . . 0.0 109.647 179.71 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -68.06 -22.77 64.92 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.234 -0.916 . . . . 0.0 109.897 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . -129.85 30.4 3.56 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.0 -1.64 . . . . 0.0 109.0 179.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 3.4 p30 39.48 44.08 1.1 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.752 -0.852 . . . . 0.0 110.956 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -78.91 -166.37 0.89 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.236 -0.915 . . . . 0.0 109.752 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 138.83 57.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.138 -0.976 . . . . 0.0 109.283 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -68.39 139.12 55.8 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.226 -0.921 . . . . 0.0 110.438 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.3 m . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.503 -0.748 . . . . 0.0 110.527 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.499 1.976 0 CA-C-O 121.104 0.478 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.442 ' O ' ' CD1' ' A' ' 4' ' ' TRP . 16.6 mtt180 -104.14 -18.4 14.53 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.371 -0.831 . . . . 0.0 109.968 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.442 ' CD1' ' O ' ' A' ' 3' ' ' ARG . 6.0 m0 -158.43 137.9 11.8 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.462 -0.774 . . . . 0.0 110.612 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.77 66.01 1.17 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.347 -0.846 . . . . 0.0 110.166 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -66.54 -11.25 51.89 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.977 -1.077 . . . . 0.0 110.227 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.9 25.58 0.63 Allowed Glycine 0 N--CA 1.487 2.097 0 N-CA-C 108.311 -1.916 . . . . 0.0 108.311 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 t70 56.02 48.08 18.47 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.263 -1.139 . . . . 0.0 110.136 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -88.2 103.7 16.01 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.427 -0.795 . . . . 0.0 111.24 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -78.83 66.66 4.36 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.288 -0.882 . . . . 0.0 112.046 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -80.78 1.0 32.31 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.469 -1.394 . . . . 0.0 111.579 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.496 1.829 0 O-C-N 120.743 -1.223 . . . . 0.0 110.458 179.826 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.497 1.893 0 CA-C-O 121.25 0.548 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -112.76 163.44 14.58 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.286 -0.884 . . . . 0.0 110.164 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -128.67 49.87 2.16 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.336 -0.853 . . . . 0.0 110.245 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.7 mt -99.63 -164.35 1.12 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.277 -0.889 . . . . 0.0 111.281 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -66.39 -28.98 69.05 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.286 -0.883 . . . . 0.0 109.496 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.02 39.15 2.83 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -86.55 49.08 1.73 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.224 -1.162 . . . . 0.0 111.175 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -99.42 0.99 43.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.161 -0.962 . . . . 0.0 111.66 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.31 145.22 27.55 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.798 -1.189 . . . . 0.0 112.145 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -83.19 167.25 17.91 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.2 -0.938 . . . . 0.0 110.935 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.451 -0.781 . . . . 0.0 110.463 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 121.257 0.551 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.64 67.52 0.95 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.157 -0.964 . . . . 0.0 110.018 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -154.18 167.16 30.79 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.7 mt -78.91 110.45 14.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.974 -1.079 . . . . 0.0 109.666 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -70.78 -4.48 24.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.258 -0.901 . . . . 0.0 110.806 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.38 -19.0 79.78 Favored Glycine 0 N--CA 1.491 2.318 0 C-N-CA 119.528 -1.32 . . . . 0.0 109.859 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -91.47 -147.06 0.21 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.94 -1.33 . . . . 0.0 109.804 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -80.24 167.46 20.27 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.94 -1.1 . . . . 0.0 109.54 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -71.03 77.04 0.66 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.955 -1.091 . . . . 0.0 111.38 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -80.03 2.68 22.82 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.126 -0.984 . . . . 0.0 111.493 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t . . . . . 0 N--CA 1.499 1.975 0 O-C-N 120.796 -1.19 . . . . 0.0 111.09 179.84 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.917 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.7 m 51.99 -168.42 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 121.645 0.736 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -88.54 79.07 7.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.082 -1.011 . . . . 0.0 109.92 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -151.27 -167.0 2.68 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.025 -1.047 . . . . 0.0 109.767 178.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mt -80.91 162.09 24.07 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.044 -1.035 . . . . 0.0 110.219 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -13.79 57.17 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.957 -1.089 . . . . 0.0 110.905 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.92 24.66 25.44 Favored Glycine 0 N--CA 1.497 2.716 0 C-N-CA 119.963 -1.113 . . . . 0.0 110.734 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -98.18 -157.49 0.6 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.196 -1.179 . . . . 0.0 110.363 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -82.22 -174.8 5.33 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.141 -0.975 . . . . 0.0 110.53 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -71.84 -167.33 0.27 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.377 -0.827 . . . . 0.0 110.197 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -56.09 -175.82 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.45 -0.781 . . . . 0.0 110.524 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.0 m -82.67 167.8 17.89 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.056 -1.028 . . . . 0.0 109.391 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.289 0 O-C-N 119.66 -1.9 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.746 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -54.69 100.55 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.348 -0.845 . . . . 0.0 110.784 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -112.03 30.12 7.3 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.329 -0.857 . . . . 0.0 110.271 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.16 53.46 0.82 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.435 -0.791 . . . . 0.0 110.467 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.93 52.97 2.09 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.423 -0.798 . . . . 0.0 110.112 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -27.86 63.5 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.24 -0.913 . . . . 0.0 110.342 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.94 32.79 1.89 Allowed Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 38.41 32.89 0.06 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.882 -0.775 . . . . 0.0 111.955 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.48 -69.05 0.67 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.397 -0.814 . . . . 0.0 109.982 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -72.74 79.95 1.12 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.78 -0.575 . . . . 0.0 110.528 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -76.79 121.01 22.74 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.324 -0.86 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.3 m -92.1 109.59 20.95 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.338 -0.851 . . . . 0.0 110.33 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.294 0 O-C-N 119.638 -1.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.726 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 t 54.19 177.91 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.374 -0.829 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -122.46 -82.88 0.65 Allowed 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.559 -0.713 . . . . 0.0 109.413 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -90.62 122.32 33.31 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.676 -0.64 . . . . 0.0 111.764 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.5 mt -91.12 59.25 3.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.147 -0.971 . . . . 0.0 110.277 178.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -67.3 -24.13 65.73 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.089 -1.007 . . . . 0.0 109.411 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.14 42.16 2.04 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 108.605 -1.798 . . . . 0.0 108.605 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.08 -151.08 0.3 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.379 -1.071 . . . . 0.0 109.642 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -82.17 -7.0 59.61 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.035 -1.041 . . . . 0.0 110.953 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -89.36 46.19 1.35 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.289 -0.882 . . . . 0.0 111.179 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -106.41 -35.65 7.05 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.27 -0.894 . . . . 0.0 110.623 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.4 m -114.58 -43.81 3.13 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.613 -0.68 . . . . 0.0 110.091 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.89 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.687 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.7 t 53.36 93.67 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.388 -0.82 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -101.48 129.48 47.54 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.337 -0.852 . . . . 0.0 110.607 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -85.5 114.99 22.94 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.334 -0.854 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.3 mt -83.66 165.01 19.32 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.081 -1.012 . . . . 0.0 110.232 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -70.56 -24.83 62.85 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.109 -0.994 . . . . 0.0 109.446 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.07 32.19 7.4 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -144.72 138.49 27.26 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.37 -1.077 . . . . 0.0 110.647 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -91.35 -105.64 0.1 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.496 -0.752 . . . . 0.0 110.391 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -101.36 47.5 0.91 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.955 -1.09 . . . . 0.0 111.654 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -101.01 124.52 46.86 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.964 -1.085 . . . . 0.0 111.413 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t -110.15 117.43 33.7 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.085 -1.009 . . . . 0.0 110.394 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 119.743 -1.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.859 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.7 m -53.66 161.47 1.07 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.377 -0.827 . . . . 0.0 110.086 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -86.55 -0.97 57.2 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.308 -0.87 . . . . 0.0 109.777 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -157.74 157.42 33.41 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.236 -0.915 . . . . 0.0 109.636 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.8 mt -73.02 83.14 1.25 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -52.78 57.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.59 -0.694 . . . . 0.0 109.893 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 9' ' ' TRP . . . -98.67 23.34 36.71 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 55.58 -89.34 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.562 -0.964 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -89.74 4.85 48.37 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.028 -1.045 . . . . 0.0 111.486 -179.569 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 ttm-85 -101.84 131.96 47.88 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.045 -1.034 . . . . 0.0 111.607 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -92.11 129.8 37.98 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.008 -1.057 . . . . 0.0 110.789 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.2 p -83.07 172.33 12.82 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.189 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.273 0 O-C-N 119.668 -1.895 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.756 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.0 m -134.96 158.98 42.91 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 121.384 -0.822 . . . . 0.0 110.477 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -105.59 -171.44 1.91 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.357 -0.839 . . . . 0.0 110.46 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -84.55 -166.7 1.53 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.249 -0.907 . . . . 0.0 110.01 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mt -77.94 78.08 4.44 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.295 -0.878 . . . . 0.0 109.235 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -66.91 -27.81 67.8 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.396 -0.815 . . . . 0.0 109.856 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.76 28.39 3.96 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 54.35 25.45 5.98 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.29 -1.124 . . . . 0.0 110.554 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -84.0 -161.15 0.5 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.277 -0.889 . . . . 0.0 110.731 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -67.15 146.73 53.95 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.361 -0.837 . . . . 0.0 110.711 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -87.0 155.98 19.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.408 -0.807 . . . . 0.0 111.656 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 t -96.51 103.68 15.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.477 -0.764 . . . . 0.0 110.039 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 119.681 -1.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.693 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.3 p -65.53 77.66 0.07 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.455 -0.778 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -96.53 26.52 4.37 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.239 -0.913 . . . . 0.0 110.244 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -117.59 133.96 55.39 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.304 -0.872 . . . . 0.0 110.146 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.72 64.45 0.63 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.294 -0.878 . . . . 0.0 110.43 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.4 mtp-105 -63.73 -34.11 77.16 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.2 -0.938 . . . . 0.0 109.855 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 9' ' ' TRP . . . -106.64 35.66 4.9 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.89 -72.96 0.06 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.553 -0.969 . . . . 0.0 110.663 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -110.42 117.97 35.02 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.245 -0.91 . . . . 0.0 110.397 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.49 139.65 40.62 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.237 -0.914 . . . . 0.0 110.446 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.28 73.99 9.28 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.257 -0.902 . . . . 0.0 111.001 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.9 m -83.13 96.74 8.49 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.114 -0.991 . . . . 0.0 110.248 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.406 0 O-C-N 119.837 -1.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.68 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.8 m 52.7 -176.35 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.274 -0.891 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -114.19 104.22 11.88 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.443 -0.786 . . . . 0.0 110.765 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -87.85 68.17 9.27 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.391 -0.818 . . . . 0.0 111.387 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mt -91.52 176.19 6.64 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.924 -1.11 . . . . 0.0 111.225 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -26.74 65.88 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.109 -0.995 . . . . 0.0 109.434 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.79 45.4 1.32 Allowed Glycine 0 N--CA 1.488 2.12 0 N-CA-C 108.187 -1.965 . . . . 0.0 108.187 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -76.41 153.73 35.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.376 -1.073 . . . . 0.0 110.328 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -101.11 -78.81 0.52 Allowed 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.696 0.76 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -76.95 138.33 39.6 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.686 -0.634 . . . . 0.0 111.314 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -88.97 102.14 14.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.381 -0.825 . . . . 0.0 110.559 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.5 m -81.71 -174.45 5.01 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.079 -1.013 . . . . 0.0 110.033 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.805 -1.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.679 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.4 m -56.79 94.63 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.368 -0.832 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -98.58 137.85 36.62 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.433 -0.792 . . . . 0.0 109.52 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.466 ' CD2' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -155.86 -156.57 0.65 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.551 -0.718 . . . . 0.0 110.327 -179.486 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 4' ' ' TRP . 0.9 OUTLIER -77.76 -145.02 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.638 -0.664 . . . . 0.0 110.212 -179.772 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.405 ' N ' HD13 ' A' ' 5' ' ' LEU . 4.5 mtm105 -65.45 -11.29 41.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.337 -0.852 . . . . 0.0 110.345 -179.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.41 -20.27 69.46 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 108.906 -1.678 . . . . 0.0 108.906 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.98 -138.74 0.56 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.361 -1.082 . . . . 0.0 112.178 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -80.85 89.36 5.83 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.267 -0.895 . . . . 0.0 111.067 -178.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -78.79 -171.5 2.59 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.292 -0.88 . . . . 0.0 111.799 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.8 97.66 3.95 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.559 -0.713 . . . . 0.0 110.535 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.7 m -87.62 -50.56 6.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.299 -0.876 . . . . 0.0 110.62 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.679 -1.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.744 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.8 p -55.6 152.76 8.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.425 -0.797 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.91 66.45 0.78 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -149.35 83.59 1.43 Allowed 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.28 -0.888 . . . . 0.0 110.546 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.598 ' CD1' ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -101.53 53.63 0.82 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.707 -0.621 . . . . 0.0 111.439 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -74.82 53.1 0.56 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.898 -1.126 . . . . 0.0 109.859 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.67 -6.94 0.32 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.5 t70 55.92 81.38 0.12 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.189 -1.183 . . . . 0.0 110.841 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -101.02 -155.79 0.53 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.304 -0.872 . . . . 0.0 111.152 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -70.61 -165.56 0.11 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.224 -0.922 . . . . 0.0 109.355 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -73.07 168.97 17.98 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.232 -0.917 . . . . 0.0 110.361 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 t -87.68 -65.78 0.98 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.447 -0.783 . . . . 0.0 110.73 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 119.8 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.748 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.4 p -55.62 131.23 45.88 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.43 -0.794 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -115.41 41.87 2.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.404 -0.81 . . . . 0.0 110.357 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -117.67 54.13 0.91 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.463 -0.773 . . . . 0.0 110.25 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.82 52.34 0.9 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.807 . . . . 0.0 109.976 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -63.56 -28.92 70.26 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.34 -0.85 . . . . 0.0 109.971 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.15 31.08 3.95 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.67 144.21 50.7 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.423 -1.045 . . . . 0.0 110.453 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -99.7 -20.98 16.01 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.294 -0.879 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -105.92 165.19 11.38 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.399 -0.813 . . . . 0.0 110.669 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -86.79 -171.68 3.64 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.264 -0.898 . . . . 0.0 110.659 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 88.5 m -78.06 -30.8 49.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.352 -0.842 . . . . 0.0 110.119 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.701 -1.874 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.701 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.0 t 52.54 80.19 0.1 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.301 -0.875 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.5 ' O ' ' CD1' ' A' ' 4' ' ' TRP . 20.4 mmt180 -120.78 11.0 11.07 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.248 -0.907 . . . . 0.0 110.736 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.5 ' CD1' ' O ' ' A' ' 3' ' ' ARG . 18.8 m0 -144.54 154.97 43.43 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.225 -0.922 . . . . 0.0 110.024 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -113.05 78.48 1.14 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.58 -0.7 . . . . 0.0 109.647 179.71 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -68.06 -22.77 64.92 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.234 -0.916 . . . . 0.0 109.897 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . -129.85 30.4 3.56 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.0 -1.64 . . . . 0.0 109.0 179.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 3.4 p30 39.48 44.08 1.1 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.752 -0.852 . . . . 0.0 110.956 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -78.91 -166.37 0.89 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.236 -0.915 . . . . 0.0 109.752 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 138.83 57.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.138 -0.976 . . . . 0.0 109.283 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -68.39 139.12 55.8 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.226 -0.921 . . . . 0.0 110.438 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.3 m -86.81 47.74 1.54 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.503 -0.748 . . . . 0.0 110.527 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.822 -1.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.697 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.4 m 50.16 93.32 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.343 -0.848 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.442 ' O ' ' CD1' ' A' ' 4' ' ' TRP . 16.6 mtt180 -104.14 -18.4 14.53 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.371 -0.831 . . . . 0.0 109.968 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.442 ' CD1' ' O ' ' A' ' 3' ' ' ARG . 6.0 m0 -158.43 137.9 11.8 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.462 -0.774 . . . . 0.0 110.612 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.77 66.01 1.17 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.347 -0.846 . . . . 0.0 110.166 179.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -66.54 -11.25 51.89 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.977 -1.077 . . . . 0.0 110.227 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.9 25.58 0.63 Allowed Glycine 0 N--CA 1.487 2.097 0 N-CA-C 108.311 -1.916 . . . . 0.0 108.311 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 t70 56.02 48.08 18.47 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.263 -1.139 . . . . 0.0 110.136 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -88.2 103.7 16.01 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.427 -0.795 . . . . 0.0 111.24 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -78.83 66.66 4.36 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.288 -0.882 . . . . 0.0 112.046 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -80.78 1.0 32.31 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.469 -1.394 . . . . 0.0 111.579 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.3 m -82.8 -179.51 7.46 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.743 -1.223 . . . . 0.0 110.458 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.093 -1.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.772 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m 53.75 66.22 1.29 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.451 -0.781 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -112.76 163.44 14.58 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.286 -0.884 . . . . 0.0 110.164 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -128.67 49.87 2.16 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.336 -0.853 . . . . 0.0 110.245 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.7 mt -99.63 -164.35 1.12 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.277 -0.889 . . . . 0.0 111.281 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -66.39 -28.98 69.05 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.286 -0.883 . . . . 0.0 109.496 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.02 39.15 2.83 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -86.55 49.08 1.73 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.224 -1.162 . . . . 0.0 111.175 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -99.42 0.99 43.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.161 -0.962 . . . . 0.0 111.66 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.31 145.22 27.55 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.798 -1.189 . . . . 0.0 112.145 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -83.19 167.25 17.91 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.2 -0.938 . . . . 0.0 110.935 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.08 -25.18 23.18 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.451 -0.781 . . . . 0.0 110.463 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.288 0 O-C-N 119.763 -1.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.724 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 t 58.37 166.26 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.348 -0.845 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.64 67.52 0.95 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.157 -0.964 . . . . 0.0 110.018 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -154.18 167.16 30.79 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.7 mt -78.91 110.45 14.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.974 -1.079 . . . . 0.0 109.666 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -70.78 -4.48 24.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.258 -0.901 . . . . 0.0 110.806 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.38 -19.0 79.78 Favored Glycine 0 N--CA 1.491 2.318 0 C-N-CA 119.528 -1.32 . . . . 0.0 109.859 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -91.47 -147.06 0.21 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.94 -1.33 . . . . 0.0 109.804 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -80.24 167.46 20.27 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.94 -1.1 . . . . 0.0 109.54 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -71.03 77.04 0.66 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.955 -1.091 . . . . 0.0 111.38 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -80.03 2.68 22.82 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.126 -0.984 . . . . 0.0 111.493 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t -92.15 19.93 6.43 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.796 -1.19 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.487 0 O-C-N 119.578 -1.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.7 m . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 121.645 0.736 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -88.54 79.07 7.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.082 -1.011 . . . . 0.0 109.92 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -151.27 -167.0 2.68 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.025 -1.047 . . . . 0.0 109.767 178.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mt -80.91 162.09 24.07 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.044 -1.035 . . . . 0.0 110.219 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -13.79 57.17 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.957 -1.089 . . . . 0.0 110.905 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.92 24.66 25.44 Favored Glycine 0 N--CA 1.497 2.716 0 C-N-CA 119.963 -1.113 . . . . 0.0 110.734 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -98.18 -157.49 0.6 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.196 -1.179 . . . . 0.0 110.363 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -82.22 -174.8 5.33 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.141 -0.975 . . . . 0.0 110.53 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -71.84 -167.33 0.27 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.377 -0.827 . . . . 0.0 110.197 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -56.09 -175.82 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.45 -0.781 . . . . 0.0 110.524 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.056 -1.028 . . . . 0.0 109.391 -178.668 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.119 0.485 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -112.03 30.12 7.3 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.329 -0.857 . . . . 0.0 110.271 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.16 53.46 0.82 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.435 -0.791 . . . . 0.0 110.467 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.93 52.97 2.09 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.423 -0.798 . . . . 0.0 110.112 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -27.86 63.5 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.24 -0.913 . . . . 0.0 110.342 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.94 32.79 1.89 Allowed Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 38.41 32.89 0.06 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.882 -0.775 . . . . 0.0 111.955 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.48 -69.05 0.67 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.397 -0.814 . . . . 0.0 109.982 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -72.74 79.95 1.12 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.78 -0.575 . . . . 0.0 110.528 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -76.79 121.01 22.74 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.324 -0.86 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.3 m . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.338 -0.851 . . . . 0.0 110.33 179.604 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 121.437 0.637 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -122.46 -82.88 0.65 Allowed 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.559 -0.713 . . . . 0.0 109.413 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -90.62 122.32 33.31 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.676 -0.64 . . . . 0.0 111.764 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 9' ' ' TRP . 21.5 mt -91.12 59.25 3.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.147 -0.971 . . . . 0.0 110.277 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -67.3 -24.13 65.73 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.089 -1.007 . . . . 0.0 109.411 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.14 42.16 2.04 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 108.605 -1.798 . . . . 0.0 108.605 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.08 -151.08 0.3 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.379 -1.071 . . . . 0.0 109.642 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.401 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -82.17 -7.0 59.61 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.035 -1.041 . . . . 0.0 110.953 -179.699 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -89.36 46.19 1.35 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.289 -0.882 . . . . 0.0 111.179 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -106.41 -35.65 7.05 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.27 -0.894 . . . . 0.0 110.623 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.613 -0.68 . . . . 0.0 110.091 179.703 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.496 1.854 0 CA-C-O 121.148 0.499 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -101.48 129.48 47.54 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.337 -0.852 . . . . 0.0 110.607 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -85.5 114.99 22.94 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.334 -0.854 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.3 mt -83.66 165.01 19.32 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.081 -1.012 . . . . 0.0 110.232 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -70.56 -24.83 62.85 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.109 -0.994 . . . . 0.0 109.446 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.07 32.19 7.4 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -144.72 138.49 27.26 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.37 -1.077 . . . . 0.0 110.647 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -91.35 -105.64 0.1 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.496 -0.752 . . . . 0.0 110.391 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -101.36 47.5 0.91 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.955 -1.09 . . . . 0.0 111.654 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -101.01 124.52 46.86 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.964 -1.085 . . . . 0.0 111.413 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t . . . . . 0 N--CA 1.499 1.994 0 O-C-N 121.085 -1.009 . . . . 0.0 110.394 178.894 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 121.085 0.469 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -86.55 -0.97 57.2 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.308 -0.87 . . . . 0.0 109.777 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -157.74 157.42 33.41 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.236 -0.915 . . . . 0.0 109.636 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.8 mt -73.02 83.14 1.25 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -52.78 57.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.59 -0.694 . . . . 0.0 109.893 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 9' ' ' TRP . . . -98.67 23.34 36.71 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 55.58 -89.34 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.562 -0.964 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -89.74 4.85 48.37 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.028 -1.045 . . . . 0.0 111.486 -179.569 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 ttm-85 -101.84 131.96 47.88 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.045 -1.034 . . . . 0.0 111.607 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -92.11 129.8 37.98 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.008 -1.057 . . . . 0.0 110.789 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.189 179.203 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.0 m . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 121.282 0.563 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -105.59 -171.44 1.91 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.357 -0.839 . . . . 0.0 110.46 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -84.55 -166.7 1.53 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.249 -0.907 . . . . 0.0 110.01 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 11' ' ' GLN . 10.8 mt -77.94 78.08 4.44 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.295 -0.878 . . . . 0.0 109.235 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -66.91 -27.81 67.8 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.396 -0.815 . . . . 0.0 109.856 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.76 28.39 3.96 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 54.35 25.45 5.98 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.29 -1.124 . . . . 0.0 110.554 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -84.0 -161.15 0.5 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.277 -0.889 . . . . 0.0 110.731 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -67.15 146.73 53.95 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.361 -0.837 . . . . 0.0 110.711 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.518 ' CG ' HD21 ' A' ' 5' ' ' LEU . 32.6 mt-30 -87.0 155.98 19.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.408 -0.807 . . . . 0.0 111.656 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.477 -0.764 . . . . 0.0 110.039 178.873 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.3 p . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.403 0.62 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -96.53 26.52 4.37 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.239 -0.913 . . . . 0.0 110.244 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -117.59 133.96 55.39 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.304 -0.872 . . . . 0.0 110.146 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.419 ' H ' HD23 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -112.72 64.45 0.63 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.294 -0.878 . . . . 0.0 110.43 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.4 mtp-105 -63.73 -34.11 77.16 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.2 -0.938 . . . . 0.0 109.855 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 9' ' ' TRP . . . -106.64 35.66 4.9 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.89 -72.96 0.06 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.553 -0.969 . . . . 0.0 110.663 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -110.42 117.97 35.02 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.245 -0.91 . . . . 0.0 110.397 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.49 139.65 40.62 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.237 -0.914 . . . . 0.0 110.446 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.28 73.99 9.28 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.257 -0.902 . . . . 0.0 111.001 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.495 1.787 0 O-C-N 121.114 -0.991 . . . . 0.0 110.248 179.165 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 121.159 0.504 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -114.19 104.22 11.88 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.443 -0.786 . . . . 0.0 110.765 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -87.85 68.17 9.27 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.391 -0.818 . . . . 0.0 111.387 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mt -91.52 176.19 6.64 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.924 -1.11 . . . . 0.0 111.225 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -26.74 65.88 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.109 -0.995 . . . . 0.0 109.434 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.79 45.4 1.32 Allowed Glycine 0 N--CA 1.488 2.12 0 N-CA-C 108.187 -1.965 . . . . 0.0 108.187 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -76.41 153.73 35.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.376 -1.073 . . . . 0.0 110.328 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -101.11 -78.81 0.52 Allowed 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.696 0.76 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -76.95 138.33 39.6 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.686 -0.634 . . . . 0.0 111.314 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -88.97 102.14 14.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.381 -0.825 . . . . 0.0 110.559 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.079 -1.013 . . . . 0.0 110.033 179.538 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 121.493 0.663 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -98.58 137.85 36.62 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.433 -0.792 . . . . 0.0 109.52 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.555 ' CZ3' HD21 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -155.86 -156.57 0.65 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.551 -0.718 . . . . 0.0 110.327 -179.486 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.555 HD21 ' CZ3' ' A' ' 4' ' ' TRP . 0.9 OUTLIER -77.76 -145.02 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.638 -0.664 . . . . 0.0 110.212 -179.772 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.416 ' N ' HD12 ' A' ' 5' ' ' LEU . 4.5 mtm105 -65.45 -11.29 41.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.337 -0.852 . . . . 0.0 110.345 -179.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.41 -20.27 69.46 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 108.906 -1.678 . . . . 0.0 108.906 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.98 -138.74 0.56 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.361 -1.082 . . . . 0.0 112.178 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -80.85 89.36 5.83 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.267 -0.895 . . . . 0.0 111.067 -178.372 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -78.79 -171.5 2.59 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.292 -0.88 . . . . 0.0 111.799 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.8 97.66 3.95 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.559 -0.713 . . . . 0.0 110.535 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.7 m . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.299 -0.876 . . . . 0.0 110.62 179.759 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.366 0.603 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.91 66.45 0.78 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -149.35 83.59 1.43 Allowed 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.28 -0.888 . . . . 0.0 110.546 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.928 ' H ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -101.53 53.63 0.82 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.707 -0.621 . . . . 0.0 111.439 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -74.82 53.1 0.56 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.898 -1.126 . . . . 0.0 109.859 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.67 -6.94 0.32 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.5 t70 55.92 81.38 0.12 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.189 -1.183 . . . . 0.0 110.841 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -101.02 -155.79 0.53 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.304 -0.872 . . . . 0.0 111.152 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -70.61 -165.56 0.11 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.224 -0.922 . . . . 0.0 109.355 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -73.07 168.97 17.98 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.232 -0.917 . . . . 0.0 110.361 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.447 -0.783 . . . . 0.0 110.73 179.565 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.281 0.562 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -115.41 41.87 2.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.404 -0.81 . . . . 0.0 110.357 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -117.67 54.13 0.91 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.463 -0.773 . . . . 0.0 110.25 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.82 52.34 0.9 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.807 . . . . 0.0 109.976 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -63.56 -28.92 70.26 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.34 -0.85 . . . . 0.0 109.971 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.15 31.08 3.95 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.67 144.21 50.7 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.423 -1.045 . . . . 0.0 110.453 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -99.7 -20.98 16.01 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.294 -0.879 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -105.92 165.19 11.38 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.399 -0.813 . . . . 0.0 110.669 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -86.79 -171.68 3.64 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.264 -0.898 . . . . 0.0 110.659 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 88.5 m . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.352 -0.842 . . . . 0.0 110.119 179.473 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 121.166 0.508 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.5 ' O ' ' CD1' ' A' ' 4' ' ' TRP . 20.4 mmt180 -120.78 11.0 11.07 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.248 -0.907 . . . . 0.0 110.736 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.5 ' CD1' ' O ' ' A' ' 3' ' ' ARG . 18.8 m0 -144.54 154.97 43.43 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.225 -0.922 . . . . 0.0 110.024 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -113.05 78.48 1.14 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.58 -0.7 . . . . 0.0 109.647 179.71 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -68.06 -22.77 64.92 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.234 -0.916 . . . . 0.0 109.897 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . -129.85 30.4 3.56 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.0 -1.64 . . . . 0.0 109.0 179.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 3.4 p30 39.48 44.08 1.1 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.752 -0.852 . . . . 0.0 110.956 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -78.91 -166.37 0.89 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.236 -0.915 . . . . 0.0 109.752 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 138.83 57.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.138 -0.976 . . . . 0.0 109.283 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -68.39 139.12 55.8 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.226 -0.921 . . . . 0.0 110.438 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.3 m . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.503 -0.748 . . . . 0.0 110.527 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.499 1.976 0 CA-C-O 121.104 0.478 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.442 ' O ' ' CD1' ' A' ' 4' ' ' TRP . 16.6 mtt180 -104.14 -18.4 14.53 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.371 -0.831 . . . . 0.0 109.968 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.442 ' CD1' ' O ' ' A' ' 3' ' ' ARG . 6.0 m0 -158.43 137.9 11.8 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.462 -0.774 . . . . 0.0 110.612 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.512 ' H ' HD23 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -100.77 66.01 1.17 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.347 -0.846 . . . . 0.0 110.166 179.192 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -66.54 -11.25 51.89 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.977 -1.077 . . . . 0.0 110.227 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.9 25.58 0.63 Allowed Glycine 0 N--CA 1.487 2.097 0 N-CA-C 108.311 -1.916 . . . . 0.0 108.311 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 t70 56.02 48.08 18.47 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.263 -1.139 . . . . 0.0 110.136 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -88.2 103.7 16.01 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.427 -0.795 . . . . 0.0 111.24 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -78.83 66.66 4.36 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.288 -0.882 . . . . 0.0 112.046 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -80.78 1.0 32.31 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.469 -1.394 . . . . 0.0 111.579 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.496 1.829 0 O-C-N 120.743 -1.223 . . . . 0.0 110.458 179.826 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.497 1.893 0 CA-C-O 121.25 0.548 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -112.76 163.44 14.58 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.286 -0.884 . . . . 0.0 110.164 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -128.67 49.87 2.16 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.336 -0.853 . . . . 0.0 110.245 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.7 mt -99.63 -164.35 1.12 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.277 -0.889 . . . . 0.0 111.281 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -66.39 -28.98 69.05 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.286 -0.883 . . . . 0.0 109.496 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.02 39.15 2.83 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -86.55 49.08 1.73 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.224 -1.162 . . . . 0.0 111.175 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -99.42 0.99 43.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.161 -0.962 . . . . 0.0 111.66 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.31 145.22 27.55 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.798 -1.189 . . . . 0.0 112.145 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -83.19 167.25 17.91 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.2 -0.938 . . . . 0.0 110.935 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.451 -0.781 . . . . 0.0 110.463 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 121.257 0.551 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.64 67.52 0.95 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.157 -0.964 . . . . 0.0 110.018 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -154.18 167.16 30.79 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.7 mt -78.91 110.45 14.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.974 -1.079 . . . . 0.0 109.666 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -70.78 -4.48 24.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.258 -0.901 . . . . 0.0 110.806 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.38 -19.0 79.78 Favored Glycine 0 N--CA 1.491 2.318 0 C-N-CA 119.528 -1.32 . . . . 0.0 109.859 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -91.47 -147.06 0.21 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.94 -1.33 . . . . 0.0 109.804 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -80.24 167.46 20.27 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.94 -1.1 . . . . 0.0 109.54 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -71.03 77.04 0.66 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.955 -1.091 . . . . 0.0 111.38 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -80.03 2.68 22.82 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.126 -0.984 . . . . 0.0 111.493 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t . . . . . 0 N--CA 1.499 1.975 0 O-C-N 120.796 -1.19 . . . . 0.0 111.09 179.84 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.481 ' H1 ' ' HA ' ' A' ' 11' ' ' GLN . . . . . . . . 0 C--O 1.212 -0.917 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.7 m 51.99 -168.42 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 121.645 0.736 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -88.54 79.07 7.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.082 -1.011 . . . . 0.0 109.92 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -151.27 -167.0 2.68 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.025 -1.047 . . . . 0.0 109.767 178.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mt -80.91 162.09 24.07 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.044 -1.035 . . . . 0.0 110.219 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -13.79 57.17 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.957 -1.089 . . . . 0.0 110.905 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.92 24.66 25.44 Favored Glycine 0 N--CA 1.497 2.716 0 C-N-CA 119.963 -1.113 . . . . 0.0 110.734 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -98.18 -157.49 0.6 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.196 -1.179 . . . . 0.0 110.363 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -82.22 -174.8 5.33 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.141 -0.975 . . . . 0.0 110.53 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -71.84 -167.33 0.27 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.377 -0.827 . . . . 0.0 110.197 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.481 ' HA ' ' H1 ' ' A' ' 1' ' ' ACE . 3.9 tt0 -56.09 -175.82 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.45 -0.781 . . . . 0.0 110.524 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.0 m -82.67 167.8 17.89 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.056 -1.028 . . . . 0.0 109.391 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.289 0 O-C-N 119.66 -1.9 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.746 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -54.69 100.55 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.348 -0.845 . . . . 0.0 110.784 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -112.03 30.12 7.3 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.329 -0.857 . . . . 0.0 110.271 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.16 53.46 0.82 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.435 -0.791 . . . . 0.0 110.467 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.93 52.97 2.09 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.423 -0.798 . . . . 0.0 110.112 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -27.86 63.5 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.24 -0.913 . . . . 0.0 110.342 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.94 32.79 1.89 Allowed Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 38.41 32.89 0.06 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.882 -0.775 . . . . 0.0 111.955 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.48 -69.05 0.67 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.397 -0.814 . . . . 0.0 109.982 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -72.74 79.95 1.12 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.78 -0.575 . . . . 0.0 110.528 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -76.79 121.01 22.74 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.324 -0.86 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.3 m -92.1 109.59 20.95 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.338 -0.851 . . . . 0.0 110.33 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.294 0 O-C-N 119.638 -1.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.726 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 t 54.19 177.91 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.374 -0.829 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -122.46 -82.88 0.65 Allowed 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.559 -0.713 . . . . 0.0 109.413 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -90.62 122.32 33.31 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.676 -0.64 . . . . 0.0 111.764 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 9' ' ' TRP . 21.5 mt -91.12 59.25 3.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.147 -0.971 . . . . 0.0 110.277 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -67.3 -24.13 65.73 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.089 -1.007 . . . . 0.0 109.411 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.14 42.16 2.04 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 108.605 -1.798 . . . . 0.0 108.605 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.08 -151.08 0.3 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.379 -1.071 . . . . 0.0 109.642 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.401 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -82.17 -7.0 59.61 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.035 -1.041 . . . . 0.0 110.953 -179.699 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -89.36 46.19 1.35 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.289 -0.882 . . . . 0.0 111.179 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -106.41 -35.65 7.05 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.27 -0.894 . . . . 0.0 110.623 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.4 m -114.58 -43.81 3.13 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.613 -0.68 . . . . 0.0 110.091 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.89 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.687 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.7 t 53.36 93.67 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.388 -0.82 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -101.48 129.48 47.54 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.337 -0.852 . . . . 0.0 110.607 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -85.5 114.99 22.94 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.334 -0.854 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.3 mt -83.66 165.01 19.32 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.081 -1.012 . . . . 0.0 110.232 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -70.56 -24.83 62.85 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.109 -0.994 . . . . 0.0 109.446 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.07 32.19 7.4 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -144.72 138.49 27.26 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.37 -1.077 . . . . 0.0 110.647 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -91.35 -105.64 0.1 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.496 -0.752 . . . . 0.0 110.391 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -101.36 47.5 0.91 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.955 -1.09 . . . . 0.0 111.654 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -101.01 124.52 46.86 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.964 -1.085 . . . . 0.0 111.413 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t -110.15 117.43 33.7 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.085 -1.009 . . . . 0.0 110.394 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 119.743 -1.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.859 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.7 m -53.66 161.47 1.07 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.377 -0.827 . . . . 0.0 110.086 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -86.55 -0.97 57.2 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.308 -0.87 . . . . 0.0 109.777 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -157.74 157.42 33.41 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.236 -0.915 . . . . 0.0 109.636 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.8 mt -73.02 83.14 1.25 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -52.78 57.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.59 -0.694 . . . . 0.0 109.893 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 9' ' ' TRP . . . -98.67 23.34 36.71 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 55.58 -89.34 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.562 -0.964 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -89.74 4.85 48.37 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.028 -1.045 . . . . 0.0 111.486 -179.569 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 ttm-85 -101.84 131.96 47.88 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.045 -1.034 . . . . 0.0 111.607 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -92.11 129.8 37.98 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.008 -1.057 . . . . 0.0 110.789 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.2 p -83.07 172.33 12.82 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.189 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.273 0 O-C-N 119.668 -1.895 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.756 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.0 m -134.96 158.98 42.91 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 121.384 -0.822 . . . . 0.0 110.477 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -105.59 -171.44 1.91 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.357 -0.839 . . . . 0.0 110.46 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -84.55 -166.7 1.53 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.249 -0.907 . . . . 0.0 110.01 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 11' ' ' GLN . 10.8 mt -77.94 78.08 4.44 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.295 -0.878 . . . . 0.0 109.235 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -66.91 -27.81 67.8 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.396 -0.815 . . . . 0.0 109.856 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.76 28.39 3.96 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 54.35 25.45 5.98 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.29 -1.124 . . . . 0.0 110.554 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -84.0 -161.15 0.5 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.277 -0.889 . . . . 0.0 110.731 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -67.15 146.73 53.95 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.361 -0.837 . . . . 0.0 110.711 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.518 ' CG ' HD21 ' A' ' 5' ' ' LEU . 32.6 mt-30 -87.0 155.98 19.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.408 -0.807 . . . . 0.0 111.656 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 t -96.51 103.68 15.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.477 -0.764 . . . . 0.0 110.039 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 119.681 -1.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.693 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.3 p -65.53 77.66 0.07 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.455 -0.778 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -96.53 26.52 4.37 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.239 -0.913 . . . . 0.0 110.244 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -117.59 133.96 55.39 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.304 -0.872 . . . . 0.0 110.146 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.419 ' H ' HD23 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -112.72 64.45 0.63 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.294 -0.878 . . . . 0.0 110.43 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.4 mtp-105 -63.73 -34.11 77.16 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.2 -0.938 . . . . 0.0 109.855 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 9' ' ' TRP . . . -106.64 35.66 4.9 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.89 -72.96 0.06 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.553 -0.969 . . . . 0.0 110.663 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -110.42 117.97 35.02 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.245 -0.91 . . . . 0.0 110.397 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.49 139.65 40.62 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.237 -0.914 . . . . 0.0 110.446 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.28 73.99 9.28 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.257 -0.902 . . . . 0.0 111.001 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.9 m -83.13 96.74 8.49 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.114 -0.991 . . . . 0.0 110.248 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.406 0 O-C-N 119.837 -1.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.68 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.8 m 52.7 -176.35 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.274 -0.891 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -114.19 104.22 11.88 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.443 -0.786 . . . . 0.0 110.765 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -87.85 68.17 9.27 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.391 -0.818 . . . . 0.0 111.387 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mt -91.52 176.19 6.64 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.924 -1.11 . . . . 0.0 111.225 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -26.74 65.88 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.109 -0.995 . . . . 0.0 109.434 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.79 45.4 1.32 Allowed Glycine 0 N--CA 1.488 2.12 0 N-CA-C 108.187 -1.965 . . . . 0.0 108.187 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -76.41 153.73 35.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.376 -1.073 . . . . 0.0 110.328 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -101.11 -78.81 0.52 Allowed 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.696 0.76 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -76.95 138.33 39.6 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.686 -0.634 . . . . 0.0 111.314 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -88.97 102.14 14.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.381 -0.825 . . . . 0.0 110.559 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.5 m -81.71 -174.45 5.01 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.079 -1.013 . . . . 0.0 110.033 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.805 -1.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.622 ' H1 ' ' HZ2' ' A' ' 9' ' ' TRP . . . . . . . . 0 C--O 1.216 -0.679 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.4 m -56.79 94.63 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.368 -0.832 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -98.58 137.85 36.62 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.433 -0.792 . . . . 0.0 109.52 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.555 ' CZ3' HD21 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -155.86 -156.57 0.65 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.551 -0.718 . . . . 0.0 110.327 -179.486 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.555 HD21 ' CZ3' ' A' ' 4' ' ' TRP . 0.9 OUTLIER -77.76 -145.02 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.638 -0.664 . . . . 0.0 110.212 -179.772 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.416 ' N ' HD12 ' A' ' 5' ' ' LEU . 4.5 mtm105 -65.45 -11.29 41.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.337 -0.852 . . . . 0.0 110.345 -179.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.41 -20.27 69.46 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 108.906 -1.678 . . . . 0.0 108.906 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.98 -138.74 0.56 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.361 -1.082 . . . . 0.0 112.178 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.622 ' HZ2' ' H1 ' ' A' ' 1' ' ' ACE . 0.6 OUTLIER -80.85 89.36 5.83 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.267 -0.895 . . . . 0.0 111.067 -178.372 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -78.79 -171.5 2.59 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.292 -0.88 . . . . 0.0 111.799 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.8 97.66 3.95 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.559 -0.713 . . . . 0.0 110.535 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.7 m -87.62 -50.56 6.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.299 -0.876 . . . . 0.0 110.62 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.679 -1.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.744 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.8 p -55.6 152.76 8.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.425 -0.797 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.91 66.45 0.78 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -149.35 83.59 1.43 Allowed 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.28 -0.888 . . . . 0.0 110.546 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.928 ' H ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -101.53 53.63 0.82 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.707 -0.621 . . . . 0.0 111.439 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -74.82 53.1 0.56 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.898 -1.126 . . . . 0.0 109.859 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.67 -6.94 0.32 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.5 t70 55.92 81.38 0.12 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.189 -1.183 . . . . 0.0 110.841 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -101.02 -155.79 0.53 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.304 -0.872 . . . . 0.0 111.152 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -70.61 -165.56 0.11 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.224 -0.922 . . . . 0.0 109.355 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -73.07 168.97 17.98 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.232 -0.917 . . . . 0.0 110.361 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 t -87.68 -65.78 0.98 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.447 -0.783 . . . . 0.0 110.73 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 119.8 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.748 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.4 p -55.62 131.23 45.88 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.43 -0.794 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -115.41 41.87 2.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.404 -0.81 . . . . 0.0 110.357 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -117.67 54.13 0.91 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.463 -0.773 . . . . 0.0 110.25 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.82 52.34 0.9 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.807 . . . . 0.0 109.976 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -63.56 -28.92 70.26 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.34 -0.85 . . . . 0.0 109.971 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.15 31.08 3.95 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.67 144.21 50.7 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.423 -1.045 . . . . 0.0 110.453 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -99.7 -20.98 16.01 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.294 -0.879 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -105.92 165.19 11.38 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.399 -0.813 . . . . 0.0 110.669 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -86.79 -171.68 3.64 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.264 -0.898 . . . . 0.0 110.659 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 88.5 m -78.06 -30.8 49.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.352 -0.842 . . . . 0.0 110.119 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.701 -1.874 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.701 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.0 t 52.54 80.19 0.1 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.301 -0.875 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.5 ' O ' ' CD1' ' A' ' 4' ' ' TRP . 20.4 mmt180 -120.78 11.0 11.07 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.248 -0.907 . . . . 0.0 110.736 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.5 ' CD1' ' O ' ' A' ' 3' ' ' ARG . 18.8 m0 -144.54 154.97 43.43 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.225 -0.922 . . . . 0.0 110.024 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -113.05 78.48 1.14 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.58 -0.7 . . . . 0.0 109.647 179.71 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -68.06 -22.77 64.92 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.234 -0.916 . . . . 0.0 109.897 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . -129.85 30.4 3.56 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.0 -1.64 . . . . 0.0 109.0 179.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 3.4 p30 39.48 44.08 1.1 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.752 -0.852 . . . . 0.0 110.956 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -78.91 -166.37 0.89 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.236 -0.915 . . . . 0.0 109.752 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 138.83 57.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.138 -0.976 . . . . 0.0 109.283 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -68.39 139.12 55.8 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.226 -0.921 . . . . 0.0 110.438 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.3 m -86.81 47.74 1.54 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.503 -0.748 . . . . 0.0 110.527 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.822 -1.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.697 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.4 m 50.16 93.32 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.343 -0.848 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.442 ' O ' ' CD1' ' A' ' 4' ' ' TRP . 16.6 mtt180 -104.14 -18.4 14.53 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.371 -0.831 . . . . 0.0 109.968 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.442 ' CD1' ' O ' ' A' ' 3' ' ' ARG . 6.0 m0 -158.43 137.9 11.8 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.462 -0.774 . . . . 0.0 110.612 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.512 ' H ' HD23 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -100.77 66.01 1.17 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.347 -0.846 . . . . 0.0 110.166 179.192 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -66.54 -11.25 51.89 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.977 -1.077 . . . . 0.0 110.227 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.9 25.58 0.63 Allowed Glycine 0 N--CA 1.487 2.097 0 N-CA-C 108.311 -1.916 . . . . 0.0 108.311 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 t70 56.02 48.08 18.47 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.263 -1.139 . . . . 0.0 110.136 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -88.2 103.7 16.01 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.427 -0.795 . . . . 0.0 111.24 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -78.83 66.66 4.36 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.288 -0.882 . . . . 0.0 112.046 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -80.78 1.0 32.31 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.469 -1.394 . . . . 0.0 111.579 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.3 m -82.8 -179.51 7.46 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.743 -1.223 . . . . 0.0 110.458 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.093 -1.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.772 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m 53.75 66.22 1.29 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.451 -0.781 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -112.76 163.44 14.58 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.286 -0.884 . . . . 0.0 110.164 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -128.67 49.87 2.16 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.336 -0.853 . . . . 0.0 110.245 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.7 mt -99.63 -164.35 1.12 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.277 -0.889 . . . . 0.0 111.281 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -66.39 -28.98 69.05 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.286 -0.883 . . . . 0.0 109.496 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.02 39.15 2.83 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -86.55 49.08 1.73 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.224 -1.162 . . . . 0.0 111.175 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -99.42 0.99 43.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.161 -0.962 . . . . 0.0 111.66 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.31 145.22 27.55 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.798 -1.189 . . . . 0.0 112.145 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -83.19 167.25 17.91 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.2 -0.938 . . . . 0.0 110.935 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.08 -25.18 23.18 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.451 -0.781 . . . . 0.0 110.463 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.288 0 O-C-N 119.763 -1.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.724 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 t 58.37 166.26 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.348 -0.845 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.64 67.52 0.95 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.157 -0.964 . . . . 0.0 110.018 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -154.18 167.16 30.79 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.7 mt -78.91 110.45 14.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.974 -1.079 . . . . 0.0 109.666 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -70.78 -4.48 24.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.258 -0.901 . . . . 0.0 110.806 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.38 -19.0 79.78 Favored Glycine 0 N--CA 1.491 2.318 0 C-N-CA 119.528 -1.32 . . . . 0.0 109.859 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -91.47 -147.06 0.21 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.94 -1.33 . . . . 0.0 109.804 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -80.24 167.46 20.27 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.94 -1.1 . . . . 0.0 109.54 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -71.03 77.04 0.66 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.955 -1.091 . . . . 0.0 111.38 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -80.03 2.68 22.82 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.126 -0.984 . . . . 0.0 111.493 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t -92.15 19.93 6.43 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.796 -1.19 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.487 0 O-C-N 119.578 -1.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.7 m . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 121.645 0.736 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -88.54 79.07 7.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.082 -1.011 . . . . 0.0 109.92 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -151.27 -167.0 2.68 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.025 -1.047 . . . . 0.0 109.767 178.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mt -80.91 162.09 24.07 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.044 -1.035 . . . . 0.0 110.219 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -13.79 57.17 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.957 -1.089 . . . . 0.0 110.905 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.92 24.66 25.44 Favored Glycine 0 N--CA 1.497 2.716 0 C-N-CA 119.963 -1.113 . . . . 0.0 110.734 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -98.18 -157.49 0.6 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.196 -1.179 . . . . 0.0 110.363 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -82.22 -174.8 5.33 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.141 -0.975 . . . . 0.0 110.53 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -71.84 -167.33 0.27 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.377 -0.827 . . . . 0.0 110.197 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -56.09 -175.82 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.45 -0.781 . . . . 0.0 110.524 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.056 -1.028 . . . . 0.0 109.391 -178.668 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.119 0.485 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -112.03 30.12 7.3 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.329 -0.857 . . . . 0.0 110.271 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.16 53.46 0.82 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.435 -0.791 . . . . 0.0 110.467 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.93 52.97 2.09 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.423 -0.798 . . . . 0.0 110.112 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -27.86 63.5 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.24 -0.913 . . . . 0.0 110.342 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.94 32.79 1.89 Allowed Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 38.41 32.89 0.06 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.882 -0.775 . . . . 0.0 111.955 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.48 -69.05 0.67 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.397 -0.814 . . . . 0.0 109.982 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -72.74 79.95 1.12 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.78 -0.575 . . . . 0.0 110.528 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -76.79 121.01 22.74 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.324 -0.86 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.3 m . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.338 -0.851 . . . . 0.0 110.33 179.604 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.495 1.788 0 CA-C-O 121.437 0.637 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -122.46 -82.88 0.65 Allowed 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.559 -0.713 . . . . 0.0 109.413 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -90.62 122.32 33.31 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.676 -0.64 . . . . 0.0 111.764 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 9' ' ' TRP . 21.5 mt -91.12 59.25 3.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.147 -0.971 . . . . 0.0 110.277 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -67.3 -24.13 65.73 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.089 -1.007 . . . . 0.0 109.411 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.14 42.16 2.04 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 108.605 -1.798 . . . . 0.0 108.605 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.08 -151.08 0.3 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.379 -1.071 . . . . 0.0 109.642 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.401 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -82.17 -7.0 59.61 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.035 -1.041 . . . . 0.0 110.953 -179.699 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -89.36 46.19 1.35 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.289 -0.882 . . . . 0.0 111.179 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -106.41 -35.65 7.05 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.27 -0.894 . . . . 0.0 110.623 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.613 -0.68 . . . . 0.0 110.091 179.703 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.496 1.854 0 CA-C-O 121.148 0.499 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -101.48 129.48 47.54 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.337 -0.852 . . . . 0.0 110.607 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -85.5 114.99 22.94 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.334 -0.854 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.3 mt -83.66 165.01 19.32 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.081 -1.012 . . . . 0.0 110.232 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -70.56 -24.83 62.85 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.109 -0.994 . . . . 0.0 109.446 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.07 32.19 7.4 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -144.72 138.49 27.26 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.37 -1.077 . . . . 0.0 110.647 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -91.35 -105.64 0.1 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.496 -0.752 . . . . 0.0 110.391 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -101.36 47.5 0.91 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.955 -1.09 . . . . 0.0 111.654 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -101.01 124.52 46.86 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.964 -1.085 . . . . 0.0 111.413 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t . . . . . 0 N--CA 1.499 1.994 0 O-C-N 121.085 -1.009 . . . . 0.0 110.394 178.894 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 121.085 0.469 . . . . 0.0 110.086 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -86.55 -0.97 57.2 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.308 -0.87 . . . . 0.0 109.777 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -157.74 157.42 33.41 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.236 -0.915 . . . . 0.0 109.636 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.8 mt -73.02 83.14 1.25 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -52.78 57.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.59 -0.694 . . . . 0.0 109.893 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 9' ' ' TRP . . . -98.67 23.34 36.71 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 55.58 -89.34 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.562 -0.964 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -89.74 4.85 48.37 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.028 -1.045 . . . . 0.0 111.486 -179.569 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 ttm-85 -101.84 131.96 47.88 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.045 -1.034 . . . . 0.0 111.607 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -92.11 129.8 37.98 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.008 -1.057 . . . . 0.0 110.789 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.2 p . . . . . 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.189 179.203 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.0 m . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 121.282 0.563 . . . . 0.0 110.477 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -105.59 -171.44 1.91 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.357 -0.839 . . . . 0.0 110.46 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -84.55 -166.7 1.53 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.249 -0.907 . . . . 0.0 110.01 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 11' ' ' GLN . 10.8 mt -77.94 78.08 4.44 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.295 -0.878 . . . . 0.0 109.235 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -66.91 -27.81 67.8 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.396 -0.815 . . . . 0.0 109.856 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.76 28.39 3.96 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 54.35 25.45 5.98 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.29 -1.124 . . . . 0.0 110.554 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -84.0 -161.15 0.5 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.277 -0.889 . . . . 0.0 110.731 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -67.15 146.73 53.95 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.361 -0.837 . . . . 0.0 110.711 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.518 ' CG ' HD21 ' A' ' 5' ' ' LEU . 32.6 mt-30 -87.0 155.98 19.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.408 -0.807 . . . . 0.0 111.656 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 t . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.477 -0.764 . . . . 0.0 110.039 178.873 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.3 p . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.403 0.62 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -96.53 26.52 4.37 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.239 -0.913 . . . . 0.0 110.244 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -117.59 133.96 55.39 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.304 -0.872 . . . . 0.0 110.146 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.419 HD23 ' H ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -112.72 64.45 0.63 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.294 -0.878 . . . . 0.0 110.43 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.4 mtp-105 -63.73 -34.11 77.16 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.2 -0.938 . . . . 0.0 109.855 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 9' ' ' TRP . . . -106.64 35.66 4.9 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.89 -72.96 0.06 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.553 -0.969 . . . . 0.0 110.663 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -110.42 117.97 35.02 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.245 -0.91 . . . . 0.0 110.397 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.49 139.65 40.62 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.237 -0.914 . . . . 0.0 110.446 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.28 73.99 9.28 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.257 -0.902 . . . . 0.0 111.001 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.495 1.787 0 O-C-N 121.114 -0.991 . . . . 0.0 110.248 179.165 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 121.159 0.504 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -114.19 104.22 11.88 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.443 -0.786 . . . . 0.0 110.765 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -87.85 68.17 9.27 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.391 -0.818 . . . . 0.0 111.387 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mt -91.52 176.19 6.64 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.924 -1.11 . . . . 0.0 111.225 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -26.74 65.88 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.109 -0.995 . . . . 0.0 109.434 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.79 45.4 1.32 Allowed Glycine 0 N--CA 1.488 2.12 0 N-CA-C 108.187 -1.965 . . . . 0.0 108.187 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -76.41 153.73 35.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.376 -1.073 . . . . 0.0 110.328 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -101.11 -78.81 0.52 Allowed 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.696 0.76 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -76.95 138.33 39.6 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.686 -0.634 . . . . 0.0 111.314 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -88.97 102.14 14.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.381 -0.825 . . . . 0.0 110.559 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.079 -1.013 . . . . 0.0 110.033 179.538 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.488 1.427 0 CA-C-O 121.493 0.663 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -98.58 137.85 36.62 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.433 -0.792 . . . . 0.0 109.52 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.555 ' CZ3' HD21 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -155.86 -156.57 0.65 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.551 -0.718 . . . . 0.0 110.327 -179.486 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.555 HD21 ' CZ3' ' A' ' 4' ' ' TRP . 0.9 OUTLIER -77.76 -145.02 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.638 -0.664 . . . . 0.0 110.212 -179.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.416 ' N ' HD12 ' A' ' 5' ' ' LEU . 4.5 mtm105 -65.45 -11.29 41.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.337 -0.852 . . . . 0.0 110.345 -179.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.41 -20.27 69.46 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 108.906 -1.678 . . . . 0.0 108.906 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.98 -138.74 0.56 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.361 -1.082 . . . . 0.0 112.178 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -80.85 89.36 5.83 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.267 -0.895 . . . . 0.0 111.067 -178.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -78.79 -171.5 2.59 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.292 -0.88 . . . . 0.0 111.799 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.8 97.66 3.95 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.559 -0.713 . . . . 0.0 110.535 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.7 m . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.299 -0.876 . . . . 0.0 110.62 179.759 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.366 0.603 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.91 66.45 0.78 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -149.35 83.59 1.43 Allowed 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.28 -0.888 . . . . 0.0 110.546 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.928 HD13 ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -101.53 53.63 0.82 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.707 -0.621 . . . . 0.0 111.439 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -74.82 53.1 0.56 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.898 -1.126 . . . . 0.0 109.859 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.67 -6.94 0.32 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.5 t70 55.92 81.38 0.12 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.189 -1.183 . . . . 0.0 110.841 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -101.02 -155.79 0.53 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.304 -0.872 . . . . 0.0 111.152 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -70.61 -165.56 0.11 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.224 -0.922 . . . . 0.0 109.355 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -73.07 168.97 17.98 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.232 -0.917 . . . . 0.0 110.361 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.447 -0.783 . . . . 0.0 110.73 179.565 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.281 0.562 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -115.41 41.87 2.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.404 -0.81 . . . . 0.0 110.357 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -117.67 54.13 0.91 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.463 -0.773 . . . . 0.0 110.25 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.82 52.34 0.9 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.807 . . . . 0.0 109.976 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -63.56 -28.92 70.26 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.34 -0.85 . . . . 0.0 109.971 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.15 31.08 3.95 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.67 144.21 50.7 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.423 -1.045 . . . . 0.0 110.453 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -99.7 -20.98 16.01 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.294 -0.879 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -105.92 165.19 11.38 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.399 -0.813 . . . . 0.0 110.669 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -86.79 -171.68 3.64 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.264 -0.898 . . . . 0.0 110.659 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 88.5 m . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.352 -0.842 . . . . 0.0 110.119 179.473 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 121.166 0.508 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.5 ' O ' ' CD1' ' A' ' 4' ' ' TRP . 20.4 mmt180 -120.78 11.0 11.07 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.248 -0.907 . . . . 0.0 110.736 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.5 ' CD1' ' O ' ' A' ' 3' ' ' ARG . 18.8 m0 -144.54 154.97 43.43 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.225 -0.922 . . . . 0.0 110.024 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -113.05 78.48 1.14 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.58 -0.7 . . . . 0.0 109.647 179.71 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -68.06 -22.77 64.92 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.234 -0.916 . . . . 0.0 109.897 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . -129.85 30.4 3.56 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.0 -1.64 . . . . 0.0 109.0 179.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 3.4 p30 39.48 44.08 1.1 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.752 -0.852 . . . . 0.0 110.956 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -78.91 -166.37 0.89 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.236 -0.915 . . . . 0.0 109.752 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 138.83 57.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.138 -0.976 . . . . 0.0 109.283 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -68.39 139.12 55.8 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.226 -0.921 . . . . 0.0 110.438 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.3 m . . . . . 0 N--CA 1.491 1.591 0 O-C-N 121.503 -0.748 . . . . 0.0 110.527 179.885 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.4 m . . . . . 0 N--CA 1.499 1.976 0 CA-C-O 121.104 0.478 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.442 ' O ' ' CD1' ' A' ' 4' ' ' TRP . 16.6 mtt180 -104.14 -18.4 14.53 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.371 -0.831 . . . . 0.0 109.968 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.442 ' CD1' ' O ' ' A' ' 3' ' ' ARG . 6.0 m0 -158.43 137.9 11.8 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.462 -0.774 . . . . 0.0 110.612 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.512 HD23 ' H ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -100.77 66.01 1.17 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.347 -0.846 . . . . 0.0 110.166 179.192 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -66.54 -11.25 51.89 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.977 -1.077 . . . . 0.0 110.227 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.9 25.58 0.63 Allowed Glycine 0 N--CA 1.487 2.097 0 N-CA-C 108.311 -1.916 . . . . 0.0 108.311 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 t70 56.02 48.08 18.47 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.263 -1.139 . . . . 0.0 110.136 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -88.2 103.7 16.01 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.427 -0.795 . . . . 0.0 111.24 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -78.83 66.66 4.36 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.288 -0.882 . . . . 0.0 112.046 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -80.78 1.0 32.31 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.469 -1.394 . . . . 0.0 111.579 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.3 m . . . . . 0 N--CA 1.496 1.829 0 O-C-N 120.743 -1.223 . . . . 0.0 110.458 179.826 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.497 1.893 0 CA-C-O 121.25 0.548 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -112.76 163.44 14.58 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.286 -0.884 . . . . 0.0 110.164 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -128.67 49.87 2.16 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.336 -0.853 . . . . 0.0 110.245 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.7 mt -99.63 -164.35 1.12 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.277 -0.889 . . . . 0.0 111.281 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -66.39 -28.98 69.05 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.286 -0.883 . . . . 0.0 109.496 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.02 39.15 2.83 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -86.55 49.08 1.73 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.224 -1.162 . . . . 0.0 111.175 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -99.42 0.99 43.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.161 -0.962 . . . . 0.0 111.66 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.31 145.22 27.55 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.798 -1.189 . . . . 0.0 112.145 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -83.19 167.25 17.91 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.2 -0.938 . . . . 0.0 110.935 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.451 -0.781 . . . . 0.0 110.463 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.498 1.951 0 CA-C-O 121.257 0.551 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.64 67.52 0.95 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.157 -0.964 . . . . 0.0 110.018 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -154.18 167.16 30.79 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.7 mt -78.91 110.45 14.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.974 -1.079 . . . . 0.0 109.666 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -70.78 -4.48 24.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.258 -0.901 . . . . 0.0 110.806 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.38 -19.0 79.78 Favored Glycine 0 N--CA 1.491 2.318 0 C-N-CA 119.528 -1.32 . . . . 0.0 109.859 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -91.47 -147.06 0.21 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.94 -1.33 . . . . 0.0 109.804 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -80.24 167.46 20.27 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.94 -1.1 . . . . 0.0 109.54 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -71.03 77.04 0.66 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.955 -1.091 . . . . 0.0 111.38 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -80.03 2.68 22.82 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.126 -0.984 . . . . 0.0 111.493 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t . . . . . 0 N--CA 1.499 1.975 0 O-C-N 120.796 -1.19 . . . . 0.0 111.09 179.84 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.481 ' H1 ' ' HA ' ' A' ' 11' ' ' GLN . . . . . . . . 0 C--O 1.212 -0.917 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 78.7 m 51.99 -168.42 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 CA-C-O 121.645 0.736 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.0 mmm-85 -88.54 79.07 7.7 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.082 -1.011 . . . . 0.0 109.92 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -151.27 -167.0 2.68 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 121.025 -1.047 . . . . 0.0 109.767 178.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mt -80.91 162.09 24.07 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.044 -1.035 . . . . 0.0 110.219 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -13.79 57.17 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.957 -1.089 . . . . 0.0 110.905 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.92 24.66 25.44 Favored Glycine 0 N--CA 1.497 2.716 0 C-N-CA 119.963 -1.113 . . . . 0.0 110.734 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -98.18 -157.49 0.6 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.196 -1.179 . . . . 0.0 110.363 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -82.22 -174.8 5.33 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.141 -0.975 . . . . 0.0 110.53 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -71.84 -167.33 0.27 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.377 -0.827 . . . . 0.0 110.197 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.481 ' HA ' ' H1 ' ' A' ' 1' ' ' ACE . 3.9 tt0 -56.09 -175.82 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.45 -0.781 . . . . 0.0 110.524 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.0 m -82.67 167.8 17.89 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.056 -1.028 . . . . 0.0 109.391 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.289 0 O-C-N 119.66 -1.9 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.746 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 m -54.69 100.55 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.348 -0.845 . . . . 0.0 110.784 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -112.03 30.12 7.3 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.329 -0.857 . . . . 0.0 110.271 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.16 53.46 0.82 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.435 -0.791 . . . . 0.0 110.467 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -91.93 52.97 2.09 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.423 -0.798 . . . . 0.0 110.112 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.8 -27.86 63.5 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.24 -0.913 . . . . 0.0 110.342 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.94 32.79 1.89 Allowed Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 p30 38.41 32.89 0.06 Allowed 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.882 -0.775 . . . . 0.0 111.955 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.48 -69.05 0.67 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.397 -0.814 . . . . 0.0 109.982 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -72.74 79.95 1.12 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.78 -0.575 . . . . 0.0 110.528 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -76.79 121.01 22.74 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.324 -0.86 . . . . 0.0 110.551 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.3 m -92.1 109.59 20.95 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.338 -0.851 . . . . 0.0 110.33 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.294 0 O-C-N 119.638 -1.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.726 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.4 t 54.19 177.91 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.374 -0.829 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -122.46 -82.88 0.65 Allowed 'General case' 0 C--N 1.303 -1.419 0 O-C-N 121.559 -0.713 . . . . 0.0 109.413 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -90.62 122.32 33.31 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.676 -0.64 . . . . 0.0 111.764 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 9' ' ' TRP . 21.5 mt -91.12 59.25 3.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.147 -0.971 . . . . 0.0 110.277 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -67.3 -24.13 65.73 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.089 -1.007 . . . . 0.0 109.411 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.14 42.16 2.04 Favored Glycine 0 N--CA 1.491 2.322 0 N-CA-C 108.605 -1.798 . . . . 0.0 108.605 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.08 -151.08 0.3 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.379 -1.071 . . . . 0.0 109.642 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.401 ' HA ' HD22 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -82.17 -7.0 59.61 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.035 -1.041 . . . . 0.0 110.953 -179.699 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.8 mtt85 -89.36 46.19 1.35 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.289 -0.882 . . . . 0.0 111.179 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -106.41 -35.65 7.05 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.27 -0.894 . . . . 0.0 110.623 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.4 m -114.58 -43.81 3.13 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.613 -0.68 . . . . 0.0 110.091 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.89 -1.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.687 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.7 t 53.36 93.67 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.388 -0.82 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.6 mtt85 -101.48 129.48 47.54 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.337 -0.852 . . . . 0.0 110.607 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -85.5 114.99 22.94 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.334 -0.854 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 29.3 mt -83.66 165.01 19.32 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.081 -1.012 . . . . 0.0 110.232 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -70.56 -24.83 62.85 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.109 -0.994 . . . . 0.0 109.446 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.07 32.19 7.4 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 108.992 -1.643 . . . . 0.0 108.992 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -144.72 138.49 27.26 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.37 -1.077 . . . . 0.0 110.647 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.7 m-90 -91.35 -105.64 0.1 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.496 -0.752 . . . . 0.0 110.391 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -101.36 47.5 0.91 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.955 -1.09 . . . . 0.0 111.654 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -101.01 124.52 46.86 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.964 -1.085 . . . . 0.0 111.413 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t -110.15 117.43 33.7 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.085 -1.009 . . . . 0.0 110.394 178.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.302 0 O-C-N 119.743 -1.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.859 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.7 m -53.66 161.47 1.07 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.377 -0.827 . . . . 0.0 110.086 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -86.55 -0.97 57.2 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.308 -0.87 . . . . 0.0 109.777 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -157.74 157.42 33.41 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.236 -0.915 . . . . 0.0 109.636 179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.8 mt -73.02 83.14 1.25 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -52.78 57.34 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.59 -0.694 . . . . 0.0 109.893 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 9' ' ' TRP . . . -98.67 23.34 36.71 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 179.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 55.58 -89.34 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.562 -0.964 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' A' ' 7' ' ' GLY . 1.0 OUTLIER -89.74 4.85 48.37 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.028 -1.045 . . . . 0.0 111.486 -179.569 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.5 ttm-85 -101.84 131.96 47.88 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.045 -1.034 . . . . 0.0 111.607 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -92.11 129.8 37.98 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.008 -1.057 . . . . 0.0 110.789 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.2 p -83.07 172.33 12.82 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.046 -1.034 . . . . 0.0 110.189 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.273 0 O-C-N 119.668 -1.895 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.756 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 54.0 m -134.96 158.98 42.91 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 121.384 -0.822 . . . . 0.0 110.477 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -105.59 -171.44 1.91 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.357 -0.839 . . . . 0.0 110.46 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 4.0 m0 -84.55 -166.7 1.53 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.249 -0.907 . . . . 0.0 110.01 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.518 HD21 ' CG ' ' A' ' 11' ' ' GLN . 10.8 mt -77.94 78.08 4.44 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.295 -0.878 . . . . 0.0 109.235 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -66.91 -27.81 67.8 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.396 -0.815 . . . . 0.0 109.856 -179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.76 28.39 3.96 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 108.622 -1.791 . . . . 0.0 108.622 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 54.35 25.45 5.98 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.29 -1.124 . . . . 0.0 110.554 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -84.0 -161.15 0.5 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.277 -0.889 . . . . 0.0 110.731 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -67.15 146.73 53.95 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.361 -0.837 . . . . 0.0 110.711 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.518 ' CG ' HD21 ' A' ' 5' ' ' LEU . 32.6 mt-30 -87.0 155.98 19.95 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.408 -0.807 . . . . 0.0 111.656 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.1 t -96.51 103.68 15.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.477 -0.764 . . . . 0.0 110.039 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.397 0 O-C-N 119.681 -1.887 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.693 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.3 p -65.53 77.66 0.07 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.455 -0.778 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.5 mpp_? -96.53 26.52 4.37 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.239 -0.913 . . . . 0.0 110.244 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -117.59 133.96 55.39 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 121.304 -0.872 . . . . 0.0 110.146 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.419 HD23 ' H ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -112.72 64.45 0.63 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.294 -0.878 . . . . 0.0 110.43 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.4 mtp-105 -63.73 -34.11 77.16 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.2 -0.938 . . . . 0.0 109.855 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 9' ' ' TRP . . . -106.64 35.66 4.9 Favored Glycine 0 N--CA 1.496 2.681 0 N-CA-C 109.366 -1.494 . . . . 0.0 109.366 179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 64.89 -72.96 0.06 Allowed 'General case' 0 N--CA 1.499 2.024 0 O-C-N 121.553 -0.969 . . . . 0.0 110.663 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLY . 0.9 OUTLIER -110.42 117.97 35.02 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.245 -0.91 . . . . 0.0 110.397 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.49 139.65 40.62 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.237 -0.914 . . . . 0.0 110.446 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.28 73.99 9.28 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.257 -0.902 . . . . 0.0 111.001 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.9 m -83.13 96.74 8.49 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.114 -0.991 . . . . 0.0 110.248 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.406 0 O-C-N 119.837 -1.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.68 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.8 m 52.7 -176.35 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.274 -0.891 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -114.19 104.22 11.88 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.443 -0.786 . . . . 0.0 110.765 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -87.85 68.17 9.27 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.391 -0.818 . . . . 0.0 111.387 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.6 mt -91.52 176.19 6.64 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.924 -1.11 . . . . 0.0 111.225 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -26.74 65.88 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.109 -0.995 . . . . 0.0 109.434 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.79 45.4 1.32 Allowed Glycine 0 N--CA 1.488 2.12 0 N-CA-C 108.187 -1.965 . . . . 0.0 108.187 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -76.41 153.73 35.44 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.376 -1.073 . . . . 0.0 110.328 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -101.11 -78.81 0.52 Allowed 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.696 0.76 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -76.95 138.33 39.6 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.686 -0.634 . . . . 0.0 111.314 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -88.97 102.14 14.78 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.381 -0.825 . . . . 0.0 110.559 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.5 m -81.71 -174.45 5.01 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.079 -1.013 . . . . 0.0 110.033 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.805 -1.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.622 ' H1 ' ' HZ2' ' A' ' 9' ' ' TRP . . . . . . . . 0 C--O 1.216 -0.679 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.4 m -56.79 94.63 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.368 -0.832 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -98.58 137.85 36.62 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.433 -0.792 . . . . 0.0 109.52 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.555 ' CZ3' HD21 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -155.86 -156.57 0.65 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.551 -0.718 . . . . 0.0 110.327 -179.486 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.555 HD21 ' CZ3' ' A' ' 4' ' ' TRP . 0.9 OUTLIER -77.76 -145.02 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.638 -0.664 . . . . 0.0 110.212 -179.772 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.416 ' N ' HD12 ' A' ' 5' ' ' LEU . 4.5 mtm105 -65.45 -11.29 41.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.337 -0.852 . . . . 0.0 110.345 -179.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.41 -20.27 69.46 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 108.906 -1.678 . . . . 0.0 108.906 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.98 -138.74 0.56 Allowed 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.361 -1.082 . . . . 0.0 112.178 178.619 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.622 ' HZ2' ' H1 ' ' A' ' 1' ' ' ACE . 0.6 OUTLIER -80.85 89.36 5.83 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.267 -0.895 . . . . 0.0 111.067 -178.372 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -78.79 -171.5 2.59 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.292 -0.88 . . . . 0.0 111.799 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.8 97.66 3.95 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.559 -0.713 . . . . 0.0 110.535 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.7 m -87.62 -50.56 6.43 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.299 -0.876 . . . . 0.0 110.62 179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.679 -1.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.744 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.8 p -55.6 152.76 8.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.425 -0.797 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.91 66.45 0.78 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.4 t90 -149.35 83.59 1.43 Allowed 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.28 -0.888 . . . . 0.0 110.546 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.928 HD13 ' H ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -101.53 53.63 0.82 Allowed 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.707 -0.621 . . . . 0.0 111.439 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -74.82 53.1 0.56 Allowed 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.898 -1.126 . . . . 0.0 109.859 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.67 -6.94 0.32 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.5 t70 55.92 81.38 0.12 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.189 -1.183 . . . . 0.0 110.841 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -101.02 -155.79 0.53 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.304 -0.872 . . . . 0.0 111.152 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -70.61 -165.56 0.11 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.224 -0.922 . . . . 0.0 109.355 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -73.07 168.97 17.98 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.232 -0.917 . . . . 0.0 110.361 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 t -87.68 -65.78 0.98 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.447 -0.783 . . . . 0.0 110.73 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 119.8 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.748 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.4 p -55.62 131.23 45.88 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.43 -0.794 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -115.41 41.87 2.38 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.404 -0.81 . . . . 0.0 110.357 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 2.8 m0 -117.67 54.13 0.91 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.463 -0.773 . . . . 0.0 110.25 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.82 52.34 0.9 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.41 -0.807 . . . . 0.0 109.976 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -63.56 -28.92 70.26 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.34 -0.85 . . . . 0.0 109.971 -179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.15 31.08 3.95 Favored Glycine 0 N--CA 1.495 2.602 0 N-CA-C 109.192 -1.563 . . . . 0.0 109.192 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.67 144.21 50.7 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.423 -1.045 . . . . 0.0 110.453 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -99.7 -20.98 16.01 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.294 -0.879 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.6 mtt180 -105.92 165.19 11.38 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.399 -0.813 . . . . 0.0 110.669 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -86.79 -171.68 3.64 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.264 -0.898 . . . . 0.0 110.659 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 88.5 m -78.06 -30.8 49.96 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.352 -0.842 . . . . 0.0 110.119 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.701 -1.874 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.701 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.0 t 52.54 80.19 0.1 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.301 -0.875 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.5 ' O ' ' CD1' ' A' ' 4' ' ' TRP . 20.4 mmt180 -120.78 11.0 11.07 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.248 -0.907 . . . . 0.0 110.736 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.5 ' CD1' ' O ' ' A' ' 3' ' ' ARG . 18.8 m0 -144.54 154.97 43.43 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.225 -0.922 . . . . 0.0 110.024 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -113.05 78.48 1.14 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.58 -0.7 . . . . 0.0 109.647 179.71 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -68.06 -22.77 64.92 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.234 -0.916 . . . . 0.0 109.897 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . -129.85 30.4 3.56 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 109.0 -1.64 . . . . 0.0 109.0 179.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.419 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 3.4 p30 39.48 44.08 1.1 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.752 -0.852 . . . . 0.0 110.956 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -78.91 -166.37 0.89 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.236 -0.915 . . . . 0.0 109.752 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.46 138.83 57.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.138 -0.976 . . . . 0.0 109.283 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -68.39 139.12 55.8 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.226 -0.921 . . . . 0.0 110.438 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 89.3 m -86.81 47.74 1.54 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.503 -0.748 . . . . 0.0 110.527 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.822 -1.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.697 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.4 m 50.16 93.32 0.02 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.343 -0.848 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.442 ' O ' ' CD1' ' A' ' 4' ' ' TRP . 16.6 mtt180 -104.14 -18.4 14.53 Favored 'General case' 0 C--N 1.305 -1.334 0 O-C-N 121.371 -0.831 . . . . 0.0 109.968 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.442 ' CD1' ' O ' ' A' ' 3' ' ' ARG . 6.0 m0 -158.43 137.9 11.8 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.462 -0.774 . . . . 0.0 110.612 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.512 HD23 ' H ' ' A' ' 5' ' ' LEU . 0.5 OUTLIER -100.77 66.01 1.17 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.347 -0.846 . . . . 0.0 110.166 179.192 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -66.54 -11.25 51.89 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 120.977 -1.077 . . . . 0.0 110.227 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.9 25.58 0.63 Allowed Glycine 0 N--CA 1.487 2.097 0 N-CA-C 108.311 -1.916 . . . . 0.0 108.311 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 t70 56.02 48.08 18.47 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.263 -1.139 . . . . 0.0 110.136 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -88.2 103.7 16.01 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.427 -0.795 . . . . 0.0 111.24 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ttt180 -78.83 66.66 4.36 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.288 -0.882 . . . . 0.0 112.046 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -80.78 1.0 32.31 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 120.469 -1.394 . . . . 0.0 111.579 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 18.3 m -82.8 -179.51 7.46 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.743 -1.223 . . . . 0.0 110.458 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.347 0 O-C-N 120.093 -1.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.772 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 m 53.75 66.22 1.29 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.451 -0.781 . . . . 0.0 110.753 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -112.76 163.44 14.58 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.286 -0.884 . . . . 0.0 110.164 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 1.8 t90 -128.67 49.87 2.16 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 121.336 -0.853 . . . . 0.0 110.245 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.7 mt -99.63 -164.35 1.12 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.277 -0.889 . . . . 0.0 111.281 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.5 ptt85 -66.39 -28.98 69.05 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.286 -0.883 . . . . 0.0 109.496 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.02 39.15 2.83 Favored Glycine 0 N--CA 1.491 2.353 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -86.55 49.08 1.73 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.224 -1.162 . . . . 0.0 111.175 -179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -99.42 0.99 43.78 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.161 -0.962 . . . . 0.0 111.66 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.31 145.22 27.55 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.798 -1.189 . . . . 0.0 112.145 -179.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -83.19 167.25 17.91 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.2 -0.938 . . . . 0.0 110.935 178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.08 -25.18 23.18 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.451 -0.781 . . . . 0.0 110.463 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.288 0 O-C-N 119.763 -1.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.724 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.2 t 58.37 166.26 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.348 -0.845 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.64 67.52 0.95 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.157 -0.964 . . . . 0.0 110.018 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -154.18 167.16 30.79 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.7 mt -78.91 110.45 14.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.974 -1.079 . . . . 0.0 109.666 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 mtp85 -70.78 -4.48 24.18 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.258 -0.901 . . . . 0.0 110.806 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.38 -19.0 79.78 Favored Glycine 0 N--CA 1.491 2.318 0 C-N-CA 119.528 -1.32 . . . . 0.0 109.859 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -91.47 -147.06 0.21 Allowed 'General case' 0 N--CA 1.501 2.101 0 O-C-N 120.94 -1.33 . . . . 0.0 109.804 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -80.24 167.46 20.27 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.94 -1.1 . . . . 0.0 109.54 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -71.03 77.04 0.66 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.955 -1.091 . . . . 0.0 111.38 -178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -80.03 2.68 22.82 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.126 -0.984 . . . . 0.0 111.493 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.7 t -92.15 19.93 6.43 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.796 -1.19 . . . . 0.0 111.09 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.487 0 O-C-N 119.578 -1.951 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_