data_1qxq_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 1qxq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 11.0 pt . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.241 0.543 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER 68.57 100.48 0.06 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.254 -0.904 . . . . 0.0 110.288 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.69 69.87 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.454 -0.778 . . . . 0.0 110.191 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 5' ' ' TRP . 0.1 OUTLIER -134.94 68.06 1.48 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.285 -0.884 . . . . 0.0 109.897 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.417 ' O ' ' O ' ' A' ' 4' ' ' LYS . 26.9 m95 52.6 100.77 0.03 OUTLIER Pre-proline 0 C--N 1.295 -1.796 0 O-C-N 121.845 -0.534 . . . . 0.0 110.15 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -73.22 82.59 1.57 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 O-C-N 124.024 1.539 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -120.88 55.22 1.05 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.397 -0.814 . . . . 0.0 110.035 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.57 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 26.8 t-105 -112.79 110.58 51.96 Favored Pre-proline 0 C--N 1.297 -1.683 0 O-C-N 121.637 -0.664 . . . . 0.0 110.239 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -86.48 32.24 0.45 Allowed 'Trans proline' 0 C--N 1.307 -1.645 0 O-C-N 123.914 1.481 . . . . 0.0 110.751 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.57 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -110.02 -65.49 1.15 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.441 -0.787 . . . . 0.0 110.364 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.07 63.61 1.23 Allowed 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.412 -0.805 . . . . 0.0 109.938 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.84 86.74 0.23 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.558 -0.714 . . . . 0.0 110.192 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.83 42.58 6.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.248 -0.907 . . . . 0.0 110.28 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.417 0 O-C-N 119.86 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.453 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 3.5 pt . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.206 0.527 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 14.0 tp 179.98 100.77 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.859 . . . . 0.0 110.159 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.28 62.93 0.05 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.361 -0.837 . . . . 0.0 110.219 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.513 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 1.2 ttpp -147.94 74.92 1.32 Allowed 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.301 -0.874 . . . . 0.0 109.948 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.462 ' O ' ' O ' ' A' ' 4' ' ' LYS . 27.7 m95 53.05 105.79 0.03 OUTLIER Pre-proline 0 C--N 1.293 -1.848 0 O-C-N 121.857 -0.527 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -72.67 83.03 1.38 Allowed 'Trans proline' 0 C--N 1.305 -1.758 0 O-C-N 124.05 1.553 . . . . 0.0 110.405 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -126.09 57.11 1.39 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.375 -0.828 . . . . 0.0 110.358 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.56 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 27.1 t-105 -104.67 111.9 65.27 Favored Pre-proline 0 C--N 1.299 -1.623 0 O-C-N 121.522 -0.736 . . . . 0.0 110.234 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -85.49 28.23 0.57 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 O-C-N 123.945 1.497 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.56 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -107.68 -46.57 3.79 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.433 -0.792 . . . . 0.0 110.334 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.31 61.64 0.91 Allowed 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.44 -0.787 . . . . 0.0 109.914 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -93.38 145.94 24.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.55 -0.719 . . . . 0.0 110.177 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt 59.73 51.75 6.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.216 -0.928 . . . . 0.0 110.229 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.838 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 12.0 pt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.288 0.566 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.457 ' CB ' ' O ' ' A' ' 1' ' ' ILE . 1.2 mt 171.37 103.76 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.205 -0.935 . . . . 0.0 110.138 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -175.42 70.12 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.499 -0.751 . . . . 0.0 110.229 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 5' ' ' TRP . 9.3 mttp -131.73 66.47 1.54 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.299 -0.876 . . . . 0.0 109.926 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.467 ' O ' ' O ' ' A' ' 4' ' ' LYS . 51.8 m95 49.4 101.64 0.03 OUTLIER Pre-proline 0 C--N 1.295 -1.792 0 O-C-N 121.865 -0.522 . . . . 0.0 110.32 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.56 83.41 1.31 Allowed 'Trans proline' 0 C--N 1.304 -1.785 0 O-C-N 123.994 1.523 . . . . 0.0 110.412 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -129.2 59.11 1.59 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.434 -0.791 . . . . 0.0 110.211 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.513 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 24.3 t-105 -141.41 108.46 6.15 Favored Pre-proline 0 C--N 1.297 -1.683 0 O-C-N 121.434 -0.792 . . . . 0.0 110.37 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -87.1 31.94 0.44 Allowed 'Trans proline' 0 C--N 1.306 -1.698 0 O-C-N 124.056 1.556 . . . . 0.0 110.483 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.513 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.48 -63.99 1.27 Allowed 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.568 -0.708 . . . . 0.0 110.372 -179.822 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.59 63.77 1.28 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.386 -0.821 . . . . 0.0 110.04 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.94 69.91 1.06 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.504 -0.747 . . . . 0.0 110.113 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.59 56.6 0.22 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.335 -0.853 . . . . 0.0 110.217 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.426 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 9.2 pt . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.261 0.553 . . . . 0.0 110.121 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.464 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 0.2 OUTLIER 66.18 99.94 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.273 -0.892 . . . . 0.0 110.092 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 10.0 mttm 62.62 61.14 1.24 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.513 -0.742 . . . . 0.0 110.075 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -138.65 69.34 1.38 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.865 0.84 . . . . 0.0 110.006 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.46 ' O ' ' O ' ' A' ' 4' ' ' LYS . 37.9 m95 53.69 106.28 0.03 OUTLIER Pre-proline 0 C--N 1.295 -1.779 0 O-C-N 121.703 -0.623 . . . . 0.0 110.232 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -72.75 83.62 1.34 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 O-C-N 124.073 1.565 . . . . 0.0 110.366 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -121.46 55.39 1.08 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.335 -0.853 . . . . 0.0 110.221 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.567 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 27.8 t-105 -97.88 111.25 58.59 Favored Pre-proline 0 C--N 1.297 -1.71 0 O-C-N 121.603 -0.686 . . . . 0.0 110.132 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -86.15 30.09 0.5 Allowed 'Trans proline' 0 C--N 1.306 -1.677 0 O-C-N 123.971 1.511 . . . . 0.0 110.747 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.567 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.69 -47.1 3.53 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.471 -0.768 . . . . 0.0 110.45 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -121.45 61.85 0.92 Allowed 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.415 -0.803 . . . . 0.0 109.991 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.527 ' O ' ' CG ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -104.0 130.33 51.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.537 -0.727 . . . . 0.0 110.263 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 10.6 ptmt 38.84 28.33 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.587 -0.696 . . . . 0.0 110.633 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.473 ' N ' ' O ' ' A' ' 12' ' ' ARG . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 2' ' ' LEU . 16.4 mt . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.268 0.556 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.486 ' N ' HG22 ' A' ' 1' ' ' ILE . 6.4 tp 68.1 100.32 0.05 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.219 -0.926 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.502 ' O ' ' C ' ' A' ' 4' ' ' LYS . 15.0 mttm 65.13 61.02 0.76 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.505 -0.747 . . . . 0.0 110.406 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 3' ' ' LYS . 24.7 mtmt 31.12 65.74 0.16 Allowed 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.888 0.851 . . . . 0.0 110.981 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 27.6 m95 52.44 99.66 0.04 OUTLIER Pre-proline 0 C--N 1.297 -1.685 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.296 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 46.5 Cg_endo -73.99 82.52 1.76 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 O-C-N 123.898 1.473 . . . . 0.0 110.465 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -127.95 58.25 1.52 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.363 -0.836 . . . . 0.0 110.19 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.519 ' NE1' ' HB2' ' A' ' 10' ' ' TRP . 33.7 t-105 -129.87 107.94 16.84 Favored Pre-proline 0 C--N 1.299 -1.596 0 O-C-N 121.523 -0.736 . . . . 0.0 110.182 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -87.74 32.62 0.41 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 O-C-N 124.055 1.555 . . . . 0.0 110.607 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.519 ' HB2' ' NE1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.04 -63.08 1.36 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.523 -0.735 . . . . 0.0 110.259 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.16 63.3 1.16 Allowed 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.458 -0.776 . . . . 0.0 109.871 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.39 147.09 27.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.441 -0.787 . . . . 0.0 110.23 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.98 55.76 0.69 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.183 -0.948 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 119.799 -1.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.499 ' O ' ' CD1' ' A' ' 2' ' ' LEU . 17.2 mt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.3 0.572 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 1' ' ' ILE . 0.0 OUTLIER 172.29 103.54 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.234 -0.916 . . . . 0.0 110.185 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -178.84 66.48 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.476 -0.765 . . . . 0.0 110.147 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 5' ' ' TRP . 0.6 OUTLIER -135.03 67.92 1.48 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.254 -0.904 . . . . 0.0 109.93 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.455 ' O ' ' O ' ' A' ' 4' ' ' LYS . 35.0 m95 50.11 100.39 0.04 OUTLIER Pre-proline 0 C--N 1.295 -1.789 0 O-C-N 121.768 -0.583 . . . . 0.0 110.105 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.63 82.66 1.41 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 O-C-N 124.029 1.542 . . . . 0.0 110.605 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -129.33 58.17 1.63 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.464 -0.773 . . . . 0.0 110.095 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.552 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 29.1 t-105 -123.82 109.44 30.12 Favored Pre-proline 0 C--N 1.298 -1.647 0 O-C-N 121.5 -0.75 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -87.26 32.37 0.43 Allowed 'Trans proline' 0 C--N 1.304 -1.797 0 O-C-N 124.049 1.552 . . . . 0.0 110.635 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.552 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.68 -65.46 1.13 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.468 -0.77 . . . . 0.0 110.389 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -127.24 64.02 1.33 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.368 -0.833 . . . . 0.0 109.883 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.44 82.24 1.36 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.508 -0.745 . . . . 0.0 110.248 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.26 47.72 1.09 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.236 -0.915 . . . . 0.0 110.286 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.895 -1.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.415 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 21.2 mm . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.269 0.557 . . . . 0.0 110.184 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 0.2 OUTLIER 175.07 102.87 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.264 -0.898 . . . . 0.0 110.111 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.0 mtmp? 62.0 59.75 1.64 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.534 -0.729 . . . . 0.0 110.371 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 5' ' ' TRP . 0.5 OUTLIER 38.0 67.89 0.36 Allowed 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 121.999 0.904 . . . . 0.0 110.561 179.646 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.462 ' O ' ' O ' ' A' ' 4' ' ' LYS . 39.1 m95 52.27 105.2 0.03 OUTLIER Pre-proline 0 C--N 1.291 -1.967 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.196 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -72.62 83.11 1.36 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 O-C-N 123.956 1.503 . . . . 0.0 110.5 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -127.0 57.27 1.47 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.484 -0.76 . . . . 0.0 110.307 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.549 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 27.3 t-105 -100.95 110.69 61.76 Favored Pre-proline 0 C--N 1.297 -1.679 0 O-C-N 121.478 -0.764 . . . . 0.0 110.147 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -86.25 28.67 0.54 Allowed 'Trans proline' 0 C--N 1.306 -1.707 0 O-C-N 123.928 1.488 . . . . 0.0 110.737 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.549 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -106.36 -46.27 4.08 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.524 -0.735 . . . . 0.0 110.246 -179.805 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -122.01 62.29 0.94 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.519 -0.738 . . . . 0.0 109.91 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -60.68 134.42 57.07 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.576 -0.702 . . . . 0.0 110.219 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.71 80.74 0.5 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.239 -0.913 . . . . 0.0 110.077 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.803 -1.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.427 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 1.6 pt . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.288 0.566 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.427 ' CB ' ' O ' ' A' ' 1' ' ' ILE . 1.5 tp 66.44 99.63 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.277 -0.89 . . . . 0.0 110.067 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.3 66.33 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.425 -0.797 . . . . 0.0 110.192 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 5' ' ' TRP . 1.0 OUTLIER -130.16 66.1 1.5 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.254 -0.904 . . . . 0.0 109.878 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.47 ' O ' ' O ' ' A' ' 4' ' ' LYS . 17.8 m95 41.65 94.37 0.04 OUTLIER Pre-proline 0 C--N 1.296 -1.744 0 O-C-N 121.827 -0.545 . . . . 0.0 110.268 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -72.05 81.41 1.42 Allowed 'Trans proline' 0 C--N 1.304 -1.785 0 O-C-N 123.955 1.503 . . . . 0.0 110.568 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -131.14 57.58 1.75 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.332 -0.855 . . . . 0.0 110.211 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.537 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 27.1 t-105 -99.01 110.5 57.97 Favored Pre-proline 0 C--N 1.296 -1.738 0 O-C-N 121.513 -0.742 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -86.22 28.09 0.56 Allowed 'Trans proline' 0 C--N 1.305 -1.721 0 O-C-N 123.98 1.516 . . . . 0.0 110.686 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.537 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -105.6 -45.21 4.48 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.46 -0.775 . . . . 0.0 110.401 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -121.4 61.89 0.91 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.385 -0.822 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.74 -174.09 2.8 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.482 -0.761 . . . . 0.0 110.294 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.89 -120.52 0.25 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.266 -0.897 . . . . 0.0 110.093 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.627 -1.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' A' ' 2' ' ' LEU . 3.4 pt . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.156 0.503 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER 175.22 102.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.322 -0.861 . . . . 0.0 110.138 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -178.35 70.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.499 -0.751 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 5' ' ' TRP . 0.4 OUTLIER -134.56 67.0 1.52 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 0.0 110.055 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.477 ' O ' ' O ' ' A' ' 4' ' ' LYS . 43.9 m95 50.43 103.43 0.03 OUTLIER Pre-proline 0 C--N 1.295 -1.774 0 O-C-N 121.803 -0.561 . . . . 0.0 110.232 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -71.44 83.55 1.02 Allowed 'Trans proline' 0 C--N 1.304 -1.799 0 O-C-N 124.011 1.532 . . . . 0.0 110.366 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -122.95 56.43 1.16 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.423 -0.798 . . . . 0.0 110.073 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.514 ' NE1' ' HB2' ' A' ' 10' ' ' TRP . 32.8 t-105 -147.72 107.54 3.76 Favored Pre-proline 0 C--N 1.298 -1.638 0 O-C-N 121.486 -0.759 . . . . 0.0 110.206 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -87.72 32.95 0.41 Allowed 'Trans proline' 0 C--N 1.304 -1.789 0 O-C-N 124.078 1.568 . . . . 0.0 110.534 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.514 ' HB2' ' NE1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.48 -65.52 1.12 Allowed 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.488 -0.757 . . . . 0.0 110.399 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.35 63.13 1.18 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.462 -0.774 . . . . 0.0 109.927 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.68 96.63 8.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.597 -0.689 . . . . 0.0 110.168 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -121.33 -120.45 0.29 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.243 -0.911 . . . . 0.0 110.095 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.649 -1.907 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.496 HG13 ' N ' ' A' ' 2' ' ' LEU . 1.9 tp . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.19 0.519 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.496 ' N ' HG13 ' A' ' 1' ' ' ILE . 0.1 OUTLIER 66.86 99.71 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.315 -0.865 . . . . 0.0 110.14 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 4' ' ' LYS . 20.2 mtmm 61.66 60.09 1.69 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.451 -0.78 . . . . 0.0 110.202 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.573 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 29.38 58.87 0.16 Allowed 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 122.629 1.204 . . . . 0.0 111.483 179.627 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' LYS . 34.3 m95 49.83 102.09 0.03 OUTLIER Pre-proline 0 C--N 1.29 -1.999 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.275 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.449 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 45.0 Cg_endo -72.2 82.57 1.31 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 O-C-N 123.948 1.499 . . . . 0.0 110.535 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -134.77 60.15 1.71 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.374 -0.829 . . . . 0.0 110.158 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.564 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 24.9 t-105 -126.61 109.58 22.96 Favored Pre-proline 0 C--N 1.299 -1.624 0 O-C-N 121.426 -0.796 . . . . 0.0 110.399 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -87.02 29.41 0.5 Allowed 'Trans proline' 0 C--N 1.305 -1.749 0 O-C-N 123.998 1.525 . . . . 0.0 110.435 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.564 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -105.69 -46.64 4.1 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.514 -0.741 . . . . 0.0 110.293 -179.809 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.62 60.64 0.8 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.486 -0.759 . . . . 0.0 109.913 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -70.56 96.84 1.23 Allowed 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.578 -0.701 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -170.43 104.2 0.27 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.322 -0.861 . . . . 0.0 110.205 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.924 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 22.9 mm . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.288 0.566 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 177.43 101.82 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.924 . . . . 0.0 110.109 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -173.88 67.62 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.339 -0.851 . . . . 0.0 110.084 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -135.91 67.76 1.46 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.162 -0.962 . . . . 0.0 110.047 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' LYS . 30.2 m95 51.68 104.84 0.03 OUTLIER Pre-proline 0 C--N 1.295 -1.764 0 O-C-N 121.896 -0.503 . . . . 0.0 110.299 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.81 83.18 1.4 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 O-C-N 123.961 1.506 . . . . 0.0 110.369 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -125.34 57.35 1.32 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.419 -0.801 . . . . 0.0 110.102 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.561 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 28.3 t-105 -123.94 110.17 29.52 Favored Pre-proline 0 C--N 1.298 -1.665 0 O-C-N 121.511 -0.743 . . . . 0.0 110.215 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -86.58 31.3 0.46 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 O-C-N 123.932 1.491 . . . . 0.0 110.758 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.561 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.25 -65.1 1.15 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.401 -0.812 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -126.42 63.53 1.26 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.446 -0.784 . . . . 0.0 109.94 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.44 169.1 0.32 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.584 -0.698 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.86 -119.49 0.29 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.164 -0.96 . . . . 0.0 110.121 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.705 -1.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.411 ' CG2' ' N ' ' A' ' 2' ' ' LEU . 3.0 mt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.167 0.508 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER 64.25 98.9 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.346 -0.846 . . . . 0.0 110.132 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER 178.16 73.59 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.421 -0.8 . . . . 0.0 110.282 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 32.87 66.02 0.22 Allowed 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.838 0.828 . . . . 0.0 110.812 179.337 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.46 ' O ' ' O ' ' A' ' 4' ' ' LYS . 27.8 m95 53.7 106.43 0.03 OUTLIER Pre-proline 0 C--N 1.298 -1.66 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.155 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -72.5 82.92 1.35 Allowed 'Trans proline' 0 C--N 1.304 -1.791 0 O-C-N 123.917 1.483 . . . . 0.0 110.401 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -125.93 57.14 1.38 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.358 -0.838 . . . . 0.0 110.19 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.581 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 24.5 t-105 -115.38 111.75 44.13 Favored Pre-proline 0 C--N 1.298 -1.639 0 O-C-N 121.611 -0.681 . . . . 0.0 110.169 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -85.79 29.41 0.52 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 123.941 1.495 . . . . 0.0 110.801 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.581 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.5 -46.87 3.6 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.506 -0.746 . . . . 0.0 110.364 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 2.3 mmt180 -118.03 60.51 0.78 Allowed 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.343 -0.848 . . . . 0.0 109.837 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.424 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER 179.78 77.35 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.676 -0.64 . . . . 0.0 110.116 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -95.36 35.42 1.32 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.253 -0.904 . . . . 0.0 110.172 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 11.0 pt . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.241 0.543 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER 68.57 100.48 0.06 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.254 -0.904 . . . . 0.0 110.288 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.69 69.87 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.454 -0.778 . . . . 0.0 110.191 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 5' ' ' TRP . 0.1 OUTLIER -134.94 68.06 1.48 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.285 -0.884 . . . . 0.0 109.897 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.417 ' O ' ' O ' ' A' ' 4' ' ' LYS . 26.9 m95 52.6 100.77 0.03 OUTLIER Pre-proline 0 C--N 1.295 -1.796 0 O-C-N 121.845 -0.534 . . . . 0.0 110.15 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -73.22 82.59 1.57 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 O-C-N 124.024 1.539 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -120.88 55.22 1.05 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.397 -0.814 . . . . 0.0 110.035 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.6 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 26.8 t-105 -112.79 110.58 51.96 Favored Pre-proline 0 C--N 1.297 -1.683 0 O-C-N 121.637 -0.664 . . . . 0.0 110.239 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -86.48 32.24 0.45 Allowed 'Trans proline' 0 C--N 1.307 -1.645 0 O-C-N 123.914 1.481 . . . . 0.0 110.751 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.6 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -110.02 -65.49 1.15 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.441 -0.787 . . . . 0.0 110.364 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.07 63.61 1.23 Allowed 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.412 -0.805 . . . . 0.0 109.938 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.84 86.74 0.23 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.558 -0.714 . . . . 0.0 110.192 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.83 42.58 6.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.248 -0.907 . . . . 0.0 110.28 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.417 0 O-C-N 119.86 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.455 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 3.5 pt . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.206 0.527 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 14.0 tp 179.98 100.77 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.859 . . . . 0.0 110.159 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.28 62.93 0.05 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.361 -0.837 . . . . 0.0 110.219 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.513 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 1.2 ttpp -147.94 74.92 1.32 Allowed 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.301 -0.874 . . . . 0.0 109.948 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.462 ' O ' ' O ' ' A' ' 4' ' ' LYS . 27.7 m95 53.05 105.79 0.03 OUTLIER Pre-proline 0 C--N 1.293 -1.848 0 O-C-N 121.857 -0.527 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 5' ' ' TRP . 44.5 Cg_endo -72.67 83.03 1.38 Allowed 'Trans proline' 0 C--N 1.305 -1.758 0 O-C-N 124.05 1.553 . . . . 0.0 110.405 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -126.09 57.11 1.39 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.375 -0.828 . . . . 0.0 110.358 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.589 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 27.1 t-105 -104.67 111.9 65.27 Favored Pre-proline 0 C--N 1.299 -1.623 0 O-C-N 121.522 -0.736 . . . . 0.0 110.234 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -85.49 28.23 0.57 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 O-C-N 123.945 1.497 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.589 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -107.68 -46.57 3.79 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.433 -0.792 . . . . 0.0 110.334 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.31 61.64 0.91 Allowed 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.44 -0.787 . . . . 0.0 109.914 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -93.38 145.94 24.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.55 -0.719 . . . . 0.0 110.177 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt 59.73 51.75 6.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.216 -0.928 . . . . 0.0 110.229 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.838 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 12.0 pt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.288 0.566 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.457 ' CB ' ' O ' ' A' ' 1' ' ' ILE . 1.2 mt 171.37 103.76 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.205 -0.935 . . . . 0.0 110.138 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -175.42 70.12 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.499 -0.751 . . . . 0.0 110.229 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 5' ' ' TRP . 9.3 mttp -131.73 66.47 1.54 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.299 -0.876 . . . . 0.0 109.926 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.467 ' O ' ' O ' ' A' ' 4' ' ' LYS . 51.8 m95 49.4 101.64 0.03 OUTLIER Pre-proline 0 C--N 1.295 -1.792 0 O-C-N 121.865 -0.522 . . . . 0.0 110.32 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.56 83.41 1.31 Allowed 'Trans proline' 0 C--N 1.304 -1.785 0 O-C-N 123.994 1.523 . . . . 0.0 110.412 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -129.2 59.11 1.59 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.434 -0.791 . . . . 0.0 110.211 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.542 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 24.3 t-105 -141.41 108.46 6.15 Favored Pre-proline 0 C--N 1.297 -1.683 0 O-C-N 121.434 -0.792 . . . . 0.0 110.37 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -87.1 31.94 0.44 Allowed 'Trans proline' 0 C--N 1.306 -1.698 0 O-C-N 124.056 1.556 . . . . 0.0 110.483 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.542 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.48 -63.99 1.27 Allowed 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.568 -0.708 . . . . 0.0 110.372 -179.822 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.59 63.77 1.28 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.386 -0.821 . . . . 0.0 110.04 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.94 69.91 1.06 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.504 -0.747 . . . . 0.0 110.113 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.59 56.6 0.22 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.335 -0.853 . . . . 0.0 110.217 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.429 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 9.2 pt . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.261 0.553 . . . . 0.0 110.121 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 0.2 OUTLIER 66.18 99.94 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.273 -0.892 . . . . 0.0 110.092 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 10.0 mttm 62.62 61.14 1.24 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.513 -0.742 . . . . 0.0 110.075 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -138.65 69.34 1.38 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.865 0.84 . . . . 0.0 110.006 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.46 ' O ' ' O ' ' A' ' 4' ' ' LYS . 37.9 m95 53.69 106.28 0.03 OUTLIER Pre-proline 0 C--N 1.295 -1.779 0 O-C-N 121.703 -0.623 . . . . 0.0 110.232 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -72.75 83.62 1.34 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 O-C-N 124.073 1.565 . . . . 0.0 110.366 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -121.46 55.39 1.08 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.335 -0.853 . . . . 0.0 110.221 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.596 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 27.8 t-105 -97.88 111.25 58.59 Favored Pre-proline 0 C--N 1.297 -1.71 0 O-C-N 121.603 -0.686 . . . . 0.0 110.132 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -86.15 30.09 0.5 Allowed 'Trans proline' 0 C--N 1.306 -1.677 0 O-C-N 123.971 1.511 . . . . 0.0 110.747 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.596 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.69 -47.1 3.53 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.471 -0.768 . . . . 0.0 110.45 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -121.45 61.85 0.92 Allowed 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.415 -0.803 . . . . 0.0 109.991 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.527 ' O ' ' CG ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -104.0 130.33 51.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.537 -0.727 . . . . 0.0 110.263 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 10.6 ptmt 38.84 28.33 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.587 -0.696 . . . . 0.0 110.633 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.473 ' N ' ' O ' ' A' ' 12' ' ' ARG . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 2' ' ' LEU . 16.4 mt . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.268 0.556 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.499 ' N ' HG22 ' A' ' 1' ' ' ILE . 6.4 tp 68.1 100.32 0.05 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.219 -0.926 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.502 ' O ' ' C ' ' A' ' 4' ' ' LYS . 15.0 mttm 65.13 61.02 0.76 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.505 -0.747 . . . . 0.0 110.406 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 3' ' ' LYS . 24.7 mtmt 31.12 65.74 0.16 Allowed 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.888 0.851 . . . . 0.0 110.981 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 27.6 m95 52.44 99.66 0.04 OUTLIER Pre-proline 0 C--N 1.297 -1.685 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.296 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 46.5 Cg_endo -73.99 82.52 1.76 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 O-C-N 123.898 1.473 . . . . 0.0 110.465 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -127.95 58.25 1.52 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.363 -0.836 . . . . 0.0 110.19 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.548 ' NE1' ' HB2' ' A' ' 10' ' ' TRP . 33.7 t-105 -129.87 107.94 16.84 Favored Pre-proline 0 C--N 1.299 -1.596 0 O-C-N 121.523 -0.736 . . . . 0.0 110.182 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -87.74 32.62 0.41 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 O-C-N 124.055 1.555 . . . . 0.0 110.607 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.548 ' HB2' ' NE1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.04 -63.08 1.36 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.523 -0.735 . . . . 0.0 110.259 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.16 63.3 1.16 Allowed 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.458 -0.776 . . . . 0.0 109.871 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.39 147.09 27.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.441 -0.787 . . . . 0.0 110.23 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.98 55.76 0.69 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.183 -0.948 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 119.799 -1.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.84 ' O ' HD12 ' A' ' 2' ' ' LEU . 17.2 mt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.3 0.572 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.84 HD12 ' O ' ' A' ' 1' ' ' ILE . 0.0 OUTLIER 172.29 103.54 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.234 -0.916 . . . . 0.0 110.185 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -178.84 66.48 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.476 -0.765 . . . . 0.0 110.147 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 5' ' ' TRP . 0.6 OUTLIER -135.03 67.92 1.48 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.254 -0.904 . . . . 0.0 109.93 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.455 ' O ' ' O ' ' A' ' 4' ' ' LYS . 35.0 m95 50.11 100.39 0.04 OUTLIER Pre-proline 0 C--N 1.295 -1.789 0 O-C-N 121.768 -0.583 . . . . 0.0 110.105 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.63 82.66 1.41 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 O-C-N 124.029 1.542 . . . . 0.0 110.605 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -129.33 58.17 1.63 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.464 -0.773 . . . . 0.0 110.095 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.582 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 29.1 t-105 -123.82 109.44 30.12 Favored Pre-proline 0 C--N 1.298 -1.647 0 O-C-N 121.5 -0.75 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -87.26 32.37 0.43 Allowed 'Trans proline' 0 C--N 1.304 -1.797 0 O-C-N 124.049 1.552 . . . . 0.0 110.635 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.582 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.68 -65.46 1.13 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.468 -0.77 . . . . 0.0 110.389 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -127.24 64.02 1.33 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.368 -0.833 . . . . 0.0 109.883 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.44 82.24 1.36 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.508 -0.745 . . . . 0.0 110.248 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.26 47.72 1.09 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.236 -0.915 . . . . 0.0 110.286 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.895 -1.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.415 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 21.2 mm . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.269 0.557 . . . . 0.0 110.184 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.564 HD23 ' HG3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER 175.07 102.87 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.264 -0.898 . . . . 0.0 110.111 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.564 ' HG3' HD23 ' A' ' 2' ' ' LEU . 2.0 mtmp? 62.0 59.75 1.64 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.534 -0.729 . . . . 0.0 110.371 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 5' ' ' TRP . 0.5 OUTLIER 38.0 67.89 0.36 Allowed 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 121.999 0.904 . . . . 0.0 110.561 179.646 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.462 ' O ' ' O ' ' A' ' 4' ' ' LYS . 39.1 m95 52.27 105.2 0.03 OUTLIER Pre-proline 0 C--N 1.291 -1.967 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.196 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -72.62 83.11 1.36 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 O-C-N 123.956 1.503 . . . . 0.0 110.5 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -127.0 57.27 1.47 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.484 -0.76 . . . . 0.0 110.307 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.576 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 27.3 t-105 -100.95 110.69 61.76 Favored Pre-proline 0 C--N 1.297 -1.679 0 O-C-N 121.478 -0.764 . . . . 0.0 110.147 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -86.25 28.67 0.54 Allowed 'Trans proline' 0 C--N 1.306 -1.707 0 O-C-N 123.928 1.488 . . . . 0.0 110.737 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.576 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -106.36 -46.27 4.08 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.524 -0.735 . . . . 0.0 110.246 -179.805 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -122.01 62.29 0.94 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.519 -0.738 . . . . 0.0 109.91 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -60.68 134.42 57.07 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.576 -0.702 . . . . 0.0 110.219 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.71 80.74 0.5 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.239 -0.913 . . . . 0.0 110.077 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.803 -1.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.427 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 1.6 pt . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.288 0.566 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.427 ' CB ' ' O ' ' A' ' 1' ' ' ILE . 1.5 tp 66.44 99.63 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.277 -0.89 . . . . 0.0 110.067 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.3 66.33 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.425 -0.797 . . . . 0.0 110.192 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 5' ' ' TRP . 1.0 OUTLIER -130.16 66.1 1.5 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.254 -0.904 . . . . 0.0 109.878 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.47 ' O ' ' O ' ' A' ' 4' ' ' LYS . 17.8 m95 41.65 94.37 0.04 OUTLIER Pre-proline 0 C--N 1.296 -1.744 0 O-C-N 121.827 -0.545 . . . . 0.0 110.268 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 5' ' ' TRP . 44.7 Cg_endo -72.05 81.41 1.42 Allowed 'Trans proline' 0 C--N 1.304 -1.785 0 O-C-N 123.955 1.503 . . . . 0.0 110.568 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.405 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -131.14 57.58 1.75 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.332 -0.855 . . . . 0.0 110.211 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 27.1 t-105 -99.01 110.5 57.97 Favored Pre-proline 0 C--N 1.296 -1.738 0 O-C-N 121.513 -0.742 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 7' ' ' TRP . 49.1 Cg_endo -86.22 28.09 0.56 Allowed 'Trans proline' 0 C--N 1.305 -1.721 0 O-C-N 123.98 1.516 . . . . 0.0 110.686 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.566 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -105.6 -45.21 4.48 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.46 -0.775 . . . . 0.0 110.401 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -121.4 61.89 0.91 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.385 -0.822 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.74 -174.09 2.8 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.482 -0.761 . . . . 0.0 110.294 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.89 -120.52 0.25 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.266 -0.897 . . . . 0.0 110.093 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.627 -1.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.766 ' C ' HD23 ' A' ' 2' ' ' LEU . 3.4 pt . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.156 0.503 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.766 HD23 ' C ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER 175.22 102.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.322 -0.861 . . . . 0.0 110.138 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -178.35 70.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.499 -0.751 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 5' ' ' TRP . 0.4 OUTLIER -134.56 67.0 1.52 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 0.0 110.055 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.477 ' O ' ' O ' ' A' ' 4' ' ' LYS . 43.9 m95 50.43 103.43 0.03 OUTLIER Pre-proline 0 C--N 1.295 -1.774 0 O-C-N 121.803 -0.561 . . . . 0.0 110.232 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -71.44 83.55 1.02 Allowed 'Trans proline' 0 C--N 1.304 -1.799 0 O-C-N 124.011 1.532 . . . . 0.0 110.366 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -122.95 56.43 1.16 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.423 -0.798 . . . . 0.0 110.073 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.543 ' NE1' ' HB2' ' A' ' 10' ' ' TRP . 32.8 t-105 -147.72 107.54 3.76 Favored Pre-proline 0 C--N 1.298 -1.638 0 O-C-N 121.486 -0.759 . . . . 0.0 110.206 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -87.72 32.95 0.41 Allowed 'Trans proline' 0 C--N 1.304 -1.789 0 O-C-N 124.078 1.568 . . . . 0.0 110.534 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.543 ' HB2' ' NE1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.48 -65.52 1.12 Allowed 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.488 -0.757 . . . . 0.0 110.399 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.35 63.13 1.18 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.462 -0.774 . . . . 0.0 109.927 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.68 96.63 8.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.597 -0.689 . . . . 0.0 110.168 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -121.33 -120.45 0.29 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.243 -0.911 . . . . 0.0 110.095 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.649 -1.907 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.521 HD12 ' H ' ' A' ' 2' ' ' LEU . 1.9 tp . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.19 0.519 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.521 ' H ' HD12 ' A' ' 1' ' ' ILE . 0.1 OUTLIER 66.86 99.71 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.315 -0.865 . . . . 0.0 110.14 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 4' ' ' LYS . 20.2 mtmm 61.66 60.09 1.69 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.451 -0.78 . . . . 0.0 110.202 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.573 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 29.38 58.87 0.16 Allowed 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 122.629 1.204 . . . . 0.0 111.483 179.627 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' LYS . 34.3 m95 49.83 102.09 0.03 OUTLIER Pre-proline 0 C--N 1.29 -1.999 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.275 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 45.0 Cg_endo -72.2 82.57 1.31 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 O-C-N 123.948 1.499 . . . . 0.0 110.535 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -134.77 60.15 1.71 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.374 -0.829 . . . . 0.0 110.158 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.594 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 24.9 t-105 -126.61 109.58 22.96 Favored Pre-proline 0 C--N 1.299 -1.624 0 O-C-N 121.426 -0.796 . . . . 0.0 110.399 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -87.02 29.41 0.5 Allowed 'Trans proline' 0 C--N 1.305 -1.749 0 O-C-N 123.998 1.525 . . . . 0.0 110.435 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.594 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -105.69 -46.64 4.1 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.514 -0.741 . . . . 0.0 110.293 -179.809 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.62 60.64 0.8 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.486 -0.759 . . . . 0.0 109.913 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -70.56 96.84 1.23 Allowed 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.578 -0.701 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -170.43 104.2 0.27 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.322 -0.861 . . . . 0.0 110.205 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.924 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 2' ' ' LEU . 22.9 mm . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.288 0.566 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.415 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.1 OUTLIER 177.43 101.82 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.924 . . . . 0.0 110.109 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -173.88 67.62 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.339 -0.851 . . . . 0.0 110.084 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -135.91 67.76 1.46 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.162 -0.962 . . . . 0.0 110.047 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' LYS . 30.2 m95 51.68 104.84 0.03 OUTLIER Pre-proline 0 C--N 1.295 -1.764 0 O-C-N 121.896 -0.503 . . . . 0.0 110.299 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.81 83.18 1.4 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 O-C-N 123.961 1.506 . . . . 0.0 110.369 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -125.34 57.35 1.32 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.419 -0.801 . . . . 0.0 110.102 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.589 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 28.3 t-105 -123.94 110.17 29.52 Favored Pre-proline 0 C--N 1.298 -1.665 0 O-C-N 121.511 -0.743 . . . . 0.0 110.215 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -86.58 31.3 0.46 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 O-C-N 123.932 1.491 . . . . 0.0 110.758 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.589 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.25 -65.1 1.15 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.401 -0.812 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -126.42 63.53 1.26 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.446 -0.784 . . . . 0.0 109.94 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.44 169.1 0.32 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.584 -0.698 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.86 -119.49 0.29 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.164 -0.96 . . . . 0.0 110.121 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.705 -1.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 2' ' ' LEU . 3.0 mt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.167 0.508 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.539 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER 64.25 98.9 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.346 -0.846 . . . . 0.0 110.132 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER 178.16 73.59 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.421 -0.8 . . . . 0.0 110.282 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 32.87 66.02 0.22 Allowed 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.838 0.828 . . . . 0.0 110.812 179.337 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.46 ' O ' ' O ' ' A' ' 4' ' ' LYS . 27.8 m95 53.7 106.43 0.03 OUTLIER Pre-proline 0 C--N 1.298 -1.66 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.155 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -72.5 82.92 1.35 Allowed 'Trans proline' 0 C--N 1.304 -1.791 0 O-C-N 123.917 1.483 . . . . 0.0 110.401 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -125.93 57.14 1.38 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.358 -0.838 . . . . 0.0 110.19 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.613 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 24.5 t-105 -115.38 111.75 44.13 Favored Pre-proline 0 C--N 1.298 -1.639 0 O-C-N 121.611 -0.681 . . . . 0.0 110.169 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -85.79 29.41 0.52 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 123.941 1.495 . . . . 0.0 110.801 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.613 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.5 -46.87 3.6 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.506 -0.746 . . . . 0.0 110.364 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 2.3 mmt180 -118.03 60.51 0.78 Allowed 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.343 -0.848 . . . . 0.0 109.837 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER 179.78 77.35 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.676 -0.64 . . . . 0.0 110.116 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -95.36 35.42 1.32 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.253 -0.904 . . . . 0.0 110.172 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 11.0 pt . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.241 0.543 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER 68.57 100.48 0.06 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.254 -0.904 . . . . 0.0 110.288 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.69 69.87 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.454 -0.778 . . . . 0.0 110.191 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.417 ' O ' ' O ' ' A' ' 5' ' ' TRP . 0.1 OUTLIER -134.94 68.06 1.48 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.285 -0.884 . . . . 0.0 109.897 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.417 ' O ' ' O ' ' A' ' 4' ' ' LYS . 26.9 m95 52.6 100.77 0.03 OUTLIER Pre-proline 0 C--N 1.295 -1.796 0 O-C-N 121.845 -0.534 . . . . 0.0 110.15 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -73.22 82.59 1.57 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 O-C-N 124.024 1.539 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -120.88 55.22 1.05 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.397 -0.814 . . . . 0.0 110.035 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.6 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 26.8 t-105 -112.79 110.58 51.96 Favored Pre-proline 0 C--N 1.297 -1.683 0 O-C-N 121.637 -0.664 . . . . 0.0 110.239 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -86.48 32.24 0.45 Allowed 'Trans proline' 0 C--N 1.307 -1.645 0 O-C-N 123.914 1.481 . . . . 0.0 110.751 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.6 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -110.02 -65.49 1.15 Allowed 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.441 -0.787 . . . . 0.0 110.364 -179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.07 63.61 1.23 Allowed 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.412 -0.805 . . . . 0.0 109.938 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.84 86.74 0.23 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.558 -0.714 . . . . 0.0 110.192 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 44.83 42.58 6.2 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.248 -0.907 . . . . 0.0 110.28 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.417 0 O-C-N 119.86 -1.775 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.455 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 3.5 pt . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.206 0.527 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' ' 1' ' ' ILE . 14.0 tp 179.98 100.77 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.325 -0.859 . . . . 0.0 110.159 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.28 62.93 0.05 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.361 -0.837 . . . . 0.0 110.219 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.513 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 1.2 ttpp -147.94 74.92 1.32 Allowed 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.301 -0.874 . . . . 0.0 109.948 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.462 ' O ' ' O ' ' A' ' 4' ' ' LYS . 27.7 m95 53.05 105.79 0.03 OUTLIER Pre-proline 0 C--N 1.293 -1.848 0 O-C-N 121.857 -0.527 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 5' ' ' TRP . 44.5 Cg_endo -72.67 83.03 1.38 Allowed 'Trans proline' 0 C--N 1.305 -1.758 0 O-C-N 124.05 1.553 . . . . 0.0 110.405 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -126.09 57.11 1.39 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.375 -0.828 . . . . 0.0 110.358 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.589 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 27.1 t-105 -104.67 111.9 65.27 Favored Pre-proline 0 C--N 1.299 -1.623 0 O-C-N 121.522 -0.736 . . . . 0.0 110.234 179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -85.49 28.23 0.57 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 O-C-N 123.945 1.497 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.589 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -107.68 -46.57 3.79 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.433 -0.792 . . . . 0.0 110.334 179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.31 61.64 0.91 Allowed 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.44 -0.787 . . . . 0.0 109.914 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -93.38 145.94 24.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.55 -0.719 . . . . 0.0 110.177 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 ttmt 59.73 51.75 6.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.216 -0.928 . . . . 0.0 110.229 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.838 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.457 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 12.0 pt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.288 0.566 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.457 ' CB ' ' O ' ' A' ' 1' ' ' ILE . 1.2 mt 171.37 103.76 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.205 -0.935 . . . . 0.0 110.138 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -175.42 70.12 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.499 -0.751 . . . . 0.0 110.229 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.467 ' O ' ' O ' ' A' ' 5' ' ' TRP . 9.3 mttp -131.73 66.47 1.54 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.299 -0.876 . . . . 0.0 109.926 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.467 ' O ' ' O ' ' A' ' 4' ' ' LYS . 51.8 m95 49.4 101.64 0.03 OUTLIER Pre-proline 0 C--N 1.295 -1.792 0 O-C-N 121.865 -0.522 . . . . 0.0 110.32 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -72.56 83.41 1.31 Allowed 'Trans proline' 0 C--N 1.304 -1.785 0 O-C-N 123.994 1.523 . . . . 0.0 110.412 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -129.2 59.11 1.59 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.434 -0.791 . . . . 0.0 110.211 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.542 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 24.3 t-105 -141.41 108.46 6.15 Favored Pre-proline 0 C--N 1.297 -1.683 0 O-C-N 121.434 -0.792 . . . . 0.0 110.37 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -87.1 31.94 0.44 Allowed 'Trans proline' 0 C--N 1.306 -1.698 0 O-C-N 124.056 1.556 . . . . 0.0 110.483 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.542 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.48 -63.99 1.27 Allowed 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.568 -0.708 . . . . 0.0 110.372 -179.822 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.59 63.77 1.28 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.386 -0.821 . . . . 0.0 110.04 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.94 69.91 1.06 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.504 -0.747 . . . . 0.0 110.113 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.59 56.6 0.22 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.335 -0.853 . . . . 0.0 110.217 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.429 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 9.2 pt . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.261 0.553 . . . . 0.0 110.121 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.451 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 0.2 OUTLIER 66.18 99.94 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.273 -0.892 . . . . 0.0 110.092 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 10.0 mttm 62.62 61.14 1.24 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.513 -0.742 . . . . 0.0 110.075 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -138.65 69.34 1.38 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-O 121.865 0.84 . . . . 0.0 110.006 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.46 ' O ' ' O ' ' A' ' 4' ' ' LYS . 37.9 m95 53.69 106.28 0.03 OUTLIER Pre-proline 0 C--N 1.295 -1.779 0 O-C-N 121.703 -0.623 . . . . 0.0 110.232 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -72.75 83.62 1.34 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 O-C-N 124.073 1.565 . . . . 0.0 110.366 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -121.46 55.39 1.08 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.335 -0.853 . . . . 0.0 110.221 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.596 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 27.8 t-105 -97.88 111.25 58.59 Favored Pre-proline 0 C--N 1.297 -1.71 0 O-C-N 121.603 -0.686 . . . . 0.0 110.132 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -86.15 30.09 0.5 Allowed 'Trans proline' 0 C--N 1.306 -1.677 0 O-C-N 123.971 1.511 . . . . 0.0 110.747 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.596 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.69 -47.1 3.53 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.471 -0.768 . . . . 0.0 110.45 -179.855 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -121.45 61.85 0.92 Allowed 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.415 -0.803 . . . . 0.0 109.991 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.527 ' O ' ' CG ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -104.0 130.33 51.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.537 -0.727 . . . . 0.0 110.263 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 10.6 ptmt 38.84 28.33 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.587 -0.696 . . . . 0.0 110.633 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.473 ' N ' ' O ' ' A' ' 12' ' ' ARG . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.499 HG22 ' N ' ' A' ' 2' ' ' LEU . 16.4 mt . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.268 0.556 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.499 ' N ' HG22 ' A' ' 1' ' ' ILE . 6.4 tp 68.1 100.32 0.05 Allowed 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.219 -0.926 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.502 ' O ' ' C ' ' A' ' 4' ' ' LYS . 15.0 mttm 65.13 61.02 0.76 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.505 -0.747 . . . . 0.0 110.406 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 3' ' ' LYS . 24.7 mtmt 31.12 65.74 0.16 Allowed 'General case' 0 N--CA 1.482 1.154 0 CA-C-O 121.888 0.851 . . . . 0.0 110.981 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 27.6 m95 52.44 99.66 0.04 OUTLIER Pre-proline 0 C--N 1.297 -1.685 0 C-N-CA 120.32 -0.552 . . . . 0.0 110.296 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 46.5 Cg_endo -73.99 82.52 1.76 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 O-C-N 123.898 1.473 . . . . 0.0 110.465 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -127.95 58.25 1.52 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.363 -0.836 . . . . 0.0 110.19 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.548 ' NE1' ' HB2' ' A' ' 10' ' ' TRP . 33.7 t-105 -129.87 107.94 16.84 Favored Pre-proline 0 C--N 1.299 -1.596 0 O-C-N 121.523 -0.736 . . . . 0.0 110.182 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -87.74 32.62 0.41 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 O-C-N 124.055 1.555 . . . . 0.0 110.607 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.548 ' HB2' ' NE1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.04 -63.08 1.36 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.523 -0.735 . . . . 0.0 110.259 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.16 63.3 1.16 Allowed 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.458 -0.776 . . . . 0.0 109.871 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.39 147.09 27.14 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.441 -0.787 . . . . 0.0 110.23 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.98 55.76 0.69 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.183 -0.948 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 119.799 -1.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.84 ' O ' HD12 ' A' ' 2' ' ' LEU . 17.2 mt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.3 0.572 . . . . 0.0 110.243 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.84 HD12 ' O ' ' A' ' 1' ' ' ILE . 0.0 OUTLIER 172.29 103.54 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.234 -0.916 . . . . 0.0 110.185 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -178.84 66.48 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.476 -0.765 . . . . 0.0 110.147 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 5' ' ' TRP . 0.6 OUTLIER -135.03 67.92 1.48 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.254 -0.904 . . . . 0.0 109.93 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.455 ' O ' ' O ' ' A' ' 4' ' ' LYS . 35.0 m95 50.11 100.39 0.04 OUTLIER Pre-proline 0 C--N 1.295 -1.789 0 O-C-N 121.768 -0.583 . . . . 0.0 110.105 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -72.63 82.66 1.41 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 O-C-N 124.029 1.542 . . . . 0.0 110.605 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -129.33 58.17 1.63 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.464 -0.773 . . . . 0.0 110.095 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.582 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 29.1 t-105 -123.82 109.44 30.12 Favored Pre-proline 0 C--N 1.298 -1.647 0 O-C-N 121.5 -0.75 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -87.26 32.37 0.43 Allowed 'Trans proline' 0 C--N 1.304 -1.797 0 O-C-N 124.049 1.552 . . . . 0.0 110.635 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.582 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.68 -65.46 1.13 Allowed 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.468 -0.77 . . . . 0.0 110.389 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -127.24 64.02 1.33 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.368 -0.833 . . . . 0.0 109.883 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.44 82.24 1.36 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.508 -0.745 . . . . 0.0 110.248 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.26 47.72 1.09 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.236 -0.915 . . . . 0.0 110.286 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.895 -1.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.415 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 21.2 mm . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 121.269 0.557 . . . . 0.0 110.184 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.564 HD23 ' HG3' ' A' ' 3' ' ' LYS . 0.2 OUTLIER 175.07 102.87 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.264 -0.898 . . . . 0.0 110.111 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.564 ' HG3' HD23 ' A' ' 2' ' ' LEU . 2.0 mtmp? 62.0 59.75 1.64 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.534 -0.729 . . . . 0.0 110.371 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 5' ' ' TRP . 0.5 OUTLIER 38.0 67.89 0.36 Allowed 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 121.999 0.904 . . . . 0.0 110.561 179.646 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.462 ' O ' ' O ' ' A' ' 4' ' ' LYS . 39.1 m95 52.27 105.2 0.03 OUTLIER Pre-proline 0 C--N 1.291 -1.967 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.196 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -72.62 83.11 1.36 Allowed 'Trans proline' 0 C--N 1.305 -1.727 0 O-C-N 123.956 1.503 . . . . 0.0 110.5 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.4 m95 -127.0 57.27 1.47 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.484 -0.76 . . . . 0.0 110.307 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.576 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 27.3 t-105 -100.95 110.69 61.76 Favored Pre-proline 0 C--N 1.297 -1.679 0 O-C-N 121.478 -0.764 . . . . 0.0 110.147 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -86.25 28.67 0.54 Allowed 'Trans proline' 0 C--N 1.306 -1.707 0 O-C-N 123.928 1.488 . . . . 0.0 110.737 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.576 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -106.36 -46.27 4.08 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.524 -0.735 . . . . 0.0 110.246 -179.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -122.01 62.29 0.94 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.519 -0.738 . . . . 0.0 109.91 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.6 ttt180 -60.68 134.42 57.07 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.576 -0.702 . . . . 0.0 110.219 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.71 80.74 0.5 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.239 -0.913 . . . . 0.0 110.077 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.337 0 O-C-N 119.803 -1.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.427 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 1.6 pt . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.288 0.566 . . . . 0.0 110.14 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.427 ' CB ' ' O ' ' A' ' 1' ' ' ILE . 1.5 tp 66.44 99.63 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.277 -0.89 . . . . 0.0 110.067 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.3 66.33 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.425 -0.797 . . . . 0.0 110.192 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.47 ' O ' ' O ' ' A' ' 5' ' ' TRP . 1.0 OUTLIER -130.16 66.1 1.5 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.254 -0.904 . . . . 0.0 109.878 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.47 ' O ' ' O ' ' A' ' 4' ' ' LYS . 17.8 m95 41.65 94.37 0.04 OUTLIER Pre-proline 0 C--N 1.296 -1.744 0 O-C-N 121.827 -0.545 . . . . 0.0 110.268 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 5' ' ' TRP . 44.7 Cg_endo -72.05 81.41 1.42 Allowed 'Trans proline' 0 C--N 1.304 -1.785 0 O-C-N 123.955 1.503 . . . . 0.0 110.568 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.405 ' O ' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -131.14 57.58 1.75 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.332 -0.855 . . . . 0.0 110.211 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.566 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 27.1 t-105 -99.01 110.5 57.97 Favored Pre-proline 0 C--N 1.296 -1.738 0 O-C-N 121.513 -0.742 . . . . 0.0 110.274 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 7' ' ' TRP . 49.1 Cg_endo -86.22 28.09 0.56 Allowed 'Trans proline' 0 C--N 1.305 -1.721 0 O-C-N 123.98 1.516 . . . . 0.0 110.686 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.566 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -105.6 -45.21 4.48 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.46 -0.775 . . . . 0.0 110.401 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 mmt-85 -121.4 61.89 0.91 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.385 -0.822 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.74 -174.09 2.8 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.482 -0.761 . . . . 0.0 110.294 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.89 -120.52 0.25 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.266 -0.897 . . . . 0.0 110.093 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.627 -1.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.766 ' C ' HD23 ' A' ' 2' ' ' LEU . 3.4 pt . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.156 0.503 . . . . 0.0 110.351 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.766 HD23 ' C ' ' A' ' 1' ' ' ILE . 0.3 OUTLIER 175.22 102.52 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.322 -0.861 . . . . 0.0 110.138 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -178.35 70.64 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.499 -0.751 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.477 ' O ' ' O ' ' A' ' 5' ' ' TRP . 0.4 OUTLIER -134.56 67.0 1.52 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.285 -0.884 . . . . 0.0 110.055 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.477 ' O ' ' O ' ' A' ' 4' ' ' LYS . 43.9 m95 50.43 103.43 0.03 OUTLIER Pre-proline 0 C--N 1.295 -1.774 0 O-C-N 121.803 -0.561 . . . . 0.0 110.232 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -71.44 83.55 1.02 Allowed 'Trans proline' 0 C--N 1.304 -1.799 0 O-C-N 124.011 1.532 . . . . 0.0 110.366 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.9 m95 -122.95 56.43 1.16 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.423 -0.798 . . . . 0.0 110.073 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.543 ' NE1' ' HB2' ' A' ' 10' ' ' TRP . 32.8 t-105 -147.72 107.54 3.76 Favored Pre-proline 0 C--N 1.298 -1.638 0 O-C-N 121.486 -0.759 . . . . 0.0 110.206 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -87.72 32.95 0.41 Allowed 'Trans proline' 0 C--N 1.304 -1.789 0 O-C-N 124.078 1.568 . . . . 0.0 110.534 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.543 ' HB2' ' NE1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.48 -65.52 1.12 Allowed 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.488 -0.757 . . . . 0.0 110.399 -179.882 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.35 63.13 1.18 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.462 -0.774 . . . . 0.0 109.927 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.68 96.63 8.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.597 -0.689 . . . . 0.0 110.168 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -121.33 -120.45 0.29 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.243 -0.911 . . . . 0.0 110.095 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.649 -1.907 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.521 HD12 ' H ' ' A' ' 2' ' ' LEU . 1.9 tp . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.19 0.519 . . . . 0.0 110.317 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.521 ' H ' HD12 ' A' ' 1' ' ' ILE . 0.1 OUTLIER 66.86 99.71 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.315 -0.865 . . . . 0.0 110.14 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 4' ' ' LYS . 20.2 mtmm 61.66 60.09 1.69 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.451 -0.78 . . . . 0.0 110.202 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.573 ' O ' ' CG ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 29.38 58.87 0.16 Allowed 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 122.629 1.204 . . . . 0.0 111.483 179.627 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' LYS . 34.3 m95 49.83 102.09 0.03 OUTLIER Pre-proline 0 C--N 1.29 -1.999 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.275 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' A' ' 2' ' ' LEU . 45.0 Cg_endo -72.2 82.57 1.31 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 O-C-N 123.948 1.499 . . . . 0.0 110.535 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.2 m95 -134.77 60.15 1.71 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.374 -0.829 . . . . 0.0 110.158 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.594 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 24.9 t-105 -126.61 109.58 22.96 Favored Pre-proline 0 C--N 1.299 -1.624 0 O-C-N 121.426 -0.796 . . . . 0.0 110.399 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -87.02 29.41 0.5 Allowed 'Trans proline' 0 C--N 1.305 -1.749 0 O-C-N 123.998 1.525 . . . . 0.0 110.435 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.594 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -105.69 -46.64 4.1 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.514 -0.741 . . . . 0.0 110.293 -179.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.62 60.64 0.8 Allowed 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.486 -0.759 . . . . 0.0 109.913 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -70.56 96.84 1.23 Allowed 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.578 -0.701 . . . . 0.0 110.278 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -170.43 104.2 0.27 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.322 -0.861 . . . . 0.0 110.205 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 119.924 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 2' ' ' LEU . 22.9 mm . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.288 0.566 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.415 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.1 OUTLIER 177.43 101.82 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.221 -0.924 . . . . 0.0 110.109 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -173.88 67.62 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.339 -0.851 . . . . 0.0 110.084 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -135.91 67.76 1.46 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.162 -0.962 . . . . 0.0 110.047 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.468 ' O ' ' O ' ' A' ' 4' ' ' LYS . 30.2 m95 51.68 104.84 0.03 OUTLIER Pre-proline 0 C--N 1.295 -1.764 0 O-C-N 121.896 -0.503 . . . . 0.0 110.299 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -72.81 83.18 1.4 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 O-C-N 123.961 1.506 . . . . 0.0 110.369 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -125.34 57.35 1.32 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.419 -0.801 . . . . 0.0 110.102 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.589 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 28.3 t-105 -123.94 110.17 29.52 Favored Pre-proline 0 C--N 1.298 -1.665 0 O-C-N 121.511 -0.743 . . . . 0.0 110.215 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -86.58 31.3 0.46 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 O-C-N 123.932 1.491 . . . . 0.0 110.758 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.589 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.25 -65.1 1.15 Allowed 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.401 -0.812 . . . . 0.0 110.309 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -126.42 63.53 1.26 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.446 -0.784 . . . . 0.0 109.94 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -55.44 169.1 0.32 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.584 -0.698 . . . . 0.0 110.255 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.86 -119.49 0.29 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.164 -0.96 . . . . 0.0 110.121 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.705 -1.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 2' ' ' LEU . 3.0 mt . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.167 0.508 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.539 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER 64.25 98.9 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.346 -0.846 . . . . 0.0 110.132 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER 178.16 73.59 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.421 -0.8 . . . . 0.0 110.282 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 3' ' ' LYS . 0.5 OUTLIER 32.87 66.02 0.22 Allowed 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.838 0.828 . . . . 0.0 110.812 179.337 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.46 ' O ' ' O ' ' A' ' 4' ' ' LYS . 27.8 m95 53.7 106.43 0.03 OUTLIER Pre-proline 0 C--N 1.298 -1.66 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.155 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -72.5 82.92 1.35 Allowed 'Trans proline' 0 C--N 1.304 -1.791 0 O-C-N 123.917 1.483 . . . . 0.0 110.401 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -125.93 57.14 1.38 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.358 -0.838 . . . . 0.0 110.19 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.613 ' CD1' ' HB2' ' A' ' 10' ' ' TRP . 24.5 t-105 -115.38 111.75 44.13 Favored Pre-proline 0 C--N 1.298 -1.639 0 O-C-N 121.611 -0.681 . . . . 0.0 110.169 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -85.79 29.41 0.52 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 O-C-N 123.941 1.495 . . . . 0.0 110.801 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.613 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -108.5 -46.87 3.6 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.506 -0.746 . . . . 0.0 110.364 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 2.3 mmt180 -118.03 60.51 0.78 Allowed 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.343 -0.848 . . . . 0.0 109.837 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER 179.78 77.35 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.676 -0.64 . . . . 0.0 110.116 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -95.36 35.42 1.32 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.253 -0.904 . . . . 0.0 110.172 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.839 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_