data_1qx9_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 1qx9 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 29.0 t . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.874 0.845 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 3' ' ' LEU . 3.3 tm? -69.41 110.23 4.6 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.462 0.648 . . . . 0.0 110.23 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.07 27.12 3.88 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 122.036 0.922 . . . . 0.0 109.176 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.583 ' HG3' ' CE2' ' A' ' 6' ' ' TRP . 0.7 OUTLIER -117.49 171.86 7.72 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.364 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.583 ' CE2' ' HG3' ' A' ' 5' ' ' LYS . 20.1 m0 61.35 100.14 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.43 -2.88 10.71 Favored 'Trans proline' 0 C--N 1.303 -1.854 0 O-C-N 124.265 1.666 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.43 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 49.2 p-90 -123.86 44.04 2.82 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.046 -1.034 . . . . 0.0 110.088 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.576 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 27.9 t-105 -89.18 134.96 32.06 Favored Pre-proline 0 C--N 1.302 -1.464 0 O-C-N 121.352 -0.843 . . . . 0.0 110.051 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.576 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.3 Cg_endo -71.59 -58.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 O-C-N 123.895 1.471 . . . . 0.0 110.631 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.465 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.6 m-90 -80.49 -173.71 4.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.205 -0.934 . . . . 0.0 110.067 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.545 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 177.06 -111.59 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.868 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.281 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.545 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 4.6 mtp180 76.32 62.62 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.321 1.058 . . . . 0.0 108.957 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' LYS . 2.7 t -106.75 -133.24 0.33 Allowed 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.898 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.294 -1.842 0 O-C-N 121.793 -0.567 . . . . 0.0 110.578 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 122.092 0.949 . . . . 0.0 110.529 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.68 113.14 2.31 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.701 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 4.4 tttt -126.79 23.24 6.71 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.99 0.9 . . . . 0.0 109.272 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.579 ' HD2' ' CE2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -103.44 170.4 7.97 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.46 -179.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.579 ' CE2' ' HD2' ' A' ' 5' ' ' LYS . 36.2 m0 59.44 93.49 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.396 -0.815 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -73.24 -10.21 23.98 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 124.064 1.56 . . . . 0.0 110.985 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.517 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 56.9 p-90 -121.08 43.93 2.66 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.99 -1.069 . . . . 0.0 110.069 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 11' ' ' TRP . 9.8 t-105 -81.88 123.24 80.3 Favored Pre-proline 0 C--N 1.302 -1.484 0 O-C-N 121.205 -0.934 . . . . 0.0 110.037 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.479 ' HD2' ' CE3' ' A' ' 9' ' ' TRP . 42.3 Cg_endo -69.54 -38.0 8.89 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 O-C-N 123.863 1.454 . . . . 0.0 109.93 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.583 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 2.3 m-90 -100.15 -171.7 2.08 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.308 -0.87 . . . . 0.0 109.822 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.638 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 37.93 -168.5 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.523 -179.725 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.638 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 148.07 73.58 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -179.611 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -99.18 -137.14 0.3 Allowed 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.691 0.757 . . . . 0.0 110.126 -179.41 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' CYS . 17.6 tttt . . . . . 0 C--N 1.289 -2.04 0 O-C-N 121.765 -0.585 . . . . 0.0 110.361 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 13.8 t . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.775 0.797 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.574 HD21 ' CZ3' ' A' ' 6' ' ' TRP . 2.1 mt -71.78 117.2 13.07 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.501 0.667 . . . . 0.0 110.642 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.92 26.21 5.25 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 122.151 0.977 . . . . 0.0 108.751 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.553 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 1.3 ptpm? -128.37 178.52 6.22 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.442 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.574 ' CZ3' HD21 ' A' ' 3' ' ' LEU . 15.5 m0 65.09 95.86 0.05 OUTLIER Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.599 -0.688 . . . . 0.0 110.314 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -71.45 -3.12 12.38 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 O-C-N 124.233 1.649 . . . . 0.0 111.094 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.494 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 53.5 p-90 -122.96 45.17 2.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.962 -1.086 . . . . 0.0 110.161 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.517 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 38.0 t-105 -86.77 135.24 35.91 Favored Pre-proline 0 C--N 1.303 -1.442 0 O-C-N 121.314 -0.866 . . . . 0.0 110.109 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.517 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.6 Cg_endo -72.95 -62.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 O-C-N 123.99 1.521 . . . . 0.0 110.755 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.465 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 1.6 m0 -74.55 -173.31 1.74 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.277 -0.89 . . . . 0.0 110.185 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.541 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.9 OUTLIER 173.67 158.44 0.14 Allowed 'General case' 0 C--N 1.294 -1.847 0 O-C-N 121.837 -0.539 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.541 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 162.12 70.5 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 121.969 0.89 . . . . 0.0 108.947 179.48 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' LYS . 1.8 t -111.55 -134.12 0.35 Allowed 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.508 0.67 . . . . 0.0 109.85 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' CYS . 41.6 tttt . . . . . 0 C--N 1.295 -1.803 0 O-C-N 121.78 -0.575 . . . . 0.0 110.585 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 23.0 t . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.745 0.783 . . . . 0.0 110.57 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.51 ' CD1' ' C ' ' A' ' 3' ' ' LEU . 3.1 tm? -62.19 105.95 0.67 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 121.461 0.648 . . . . 0.0 110.249 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -135.87 28.32 3.22 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.947 0.88 . . . . 0.0 109.19 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 1.2 ptpp? -132.9 175.9 8.95 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.359 0.6 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.566 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 9.2 m0 65.75 98.46 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.484 -0.76 . . . . 0.0 110.22 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.87 -1.2 9.02 Favored 'Trans proline' 0 C--N 1.303 -1.835 0 O-C-N 124.185 1.624 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.429 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 48.2 p-90 -120.32 43.99 2.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.056 -1.027 . . . . 0.0 110.14 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -90.9 127.71 50.86 Favored Pre-proline 0 C--N 1.303 -1.443 0 O-C-N 121.332 -0.855 . . . . 0.0 109.949 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.65 -57.08 0.08 OUTLIER 'Trans proline' 0 C--N 1.307 -1.649 0 O-C-N 123.879 1.463 . . . . 0.0 110.904 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.423 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.5 m-90 -73.46 -173.95 1.55 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.182 -0.949 . . . . 0.0 110.53 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 2.9 ptm180 -177.25 157.07 1.3 Allowed 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.136 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.539 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 162.9 69.83 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.807 0.813 . . . . 0.0 109.471 179.511 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' LYS . 1.7 t -116.55 -134.71 0.34 Allowed 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.489 0.661 . . . . 0.0 109.866 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.293 -1.862 0 O-C-N 121.804 -0.56 . . . . 0.0 110.62 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 18.2 t . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.812 0.815 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.446 HD12 ' CZ3' ' A' ' 6' ' ' TRP . 3.1 tp -62.91 114.43 3.66 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.463 0.649 . . . . 0.0 110.528 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.22 26.77 4.84 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 122.162 0.982 . . . . 0.0 108.882 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.582 ' HG2' ' CD2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -135.33 -179.25 5.52 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.421 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.582 ' CD2' ' HG2' ' A' ' 5' ' ' LYS . 9.8 m0 67.59 94.77 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 121.637 -0.665 . . . . 0.0 110.252 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -71.69 -5.31 16.79 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 O-C-N 124.16 1.611 . . . . 0.0 111.068 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.492 ' O ' ' CE3' ' A' ' 8' ' ' TRP . 54.8 p-90 -122.59 44.64 2.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.973 -1.08 . . . . 0.0 110.111 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.481 ' CD1' ' O ' ' A' ' 11' ' ' TRP . 13.0 t-105 -85.86 126.08 66.86 Favored Pre-proline 0 C--N 1.302 -1.459 0 O-C-N 121.195 -0.94 . . . . 0.0 109.994 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.42 ' HD2' ' CE3' ' A' ' 9' ' ' TRP . 44.5 Cg_endo -71.38 -42.77 1.74 Allowed 'Trans proline' 0 C--N 1.307 -1.622 0 O-C-N 123.838 1.441 . . . . 0.0 110.608 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.521 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 1.6 m-90 -94.98 -172.87 2.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.266 -0.896 . . . . 0.0 110.02 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 172.29 167.75 0.11 Allowed 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.371 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 161.71 70.77 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 121.978 0.894 . . . . 0.0 108.9 179.51 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' LYS . 1.5 t -110.2 -134.34 0.35 Allowed 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.486 0.66 . . . . 0.0 109.867 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' CYS . 8.3 ttpt . . . . . 0 C--N 1.295 -1.783 0 O-C-N 121.93 -0.481 . . . . 0.0 110.654 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 11.2 t . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.835 0.826 . . . . 0.0 110.491 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.519 HD21 ' CE2' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -42.19 105.27 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 121.499 0.666 . . . . 0.0 110.428 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.43 29.52 1.97 Allowed 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 122.04 0.924 . . . . 0.0 109.18 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.577 ' HD2' ' CZ2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -143.13 170.68 15.28 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.282 0.563 . . . . 0.0 110.264 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.577 ' CZ2' ' HD2' ' A' ' 5' ' ' LYS . 5.9 m0 66.03 98.38 0.04 OUTLIER Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.311 -0.868 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -71.1 -3.0 11.99 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 O-C-N 124.11 1.584 . . . . 0.0 110.757 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.461 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 51.0 p-90 -119.21 44.28 2.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -0.992 . . . . 0.0 109.888 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.519 ' CE2' HD21 ' A' ' 3' ' ' LEU . 32.9 t-105 -87.98 126.21 61.9 Favored Pre-proline 0 C--N 1.301 -1.513 0 O-C-N 121.387 -0.821 . . . . 0.0 109.959 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.453 ' HG2' ' CD2' ' A' ' 11' ' ' TRP . 43.4 Cg_endo -70.2 -46.45 1.04 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 O-C-N 123.915 1.482 . . . . 0.0 110.307 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.472 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 2.4 m-90 -84.53 -171.12 3.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.346 -0.846 . . . . 0.0 110.021 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.571 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -179.08 -131.09 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.224 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.571 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 5.7 ttt85 78.61 63.66 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 122.265 1.031 . . . . 0.0 109.182 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' LYS . 5.0 t -108.92 -129.61 0.29 Allowed 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.872 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.295 -1.798 0 O-C-N 121.684 -0.635 . . . . 0.0 110.563 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 26.3 t . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.796 0.808 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.575 HD13 ' CE3' ' A' ' 6' ' ' TRP . 1.4 pp -137.44 136.35 37.71 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.386 0.612 . . . . 0.0 110.54 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -101.89 14.9 30.64 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 122.316 1.055 . . . . 0.0 108.662 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.574 ' HD2' ' CZ2' ' A' ' 6' ' ' TRP . 18.6 ptpt -106.7 179.78 4.17 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.432 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.575 ' CE3' HD13 ' A' ' 3' ' ' LEU . 30.5 m0 63.93 97.32 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.757 0 O-C-N 121.835 -0.541 . . . . 0.0 110.134 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -71.05 -0.53 8.11 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 124.221 1.643 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.428 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 48.4 p-90 -120.06 44.14 2.5 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.04 -1.038 . . . . 0.0 110.147 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.403 ' CZ3' ' CE3' ' A' ' 6' ' ' TRP . 35.7 t-105 -89.46 121.87 68.89 Favored Pre-proline 0 C--N 1.302 -1.472 0 O-C-N 121.373 -0.829 . . . . 0.0 109.823 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -71.23 -49.34 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.943 1.496 . . . . 0.0 110.665 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.449 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.3 m-90 -78.89 -175.0 4.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.109 -0.994 . . . . 0.0 110.425 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.555 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -178.91 -140.57 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.139 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 4.3 ttt85 79.43 64.03 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 122.194 0.997 . . . . 0.0 109.428 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' LYS . 3.9 t -99.73 -132.05 0.24 Allowed 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.848 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' CYS . 12.6 tttt . . . . . 0 C--N 1.295 -1.799 0 O-C-N 121.728 -0.607 . . . . 0.0 110.51 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 12.9 t . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.792 0.806 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.495 ' CD1' ' C ' ' A' ' 3' ' ' LEU . 3.3 tm? -91.33 108.03 19.61 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.353 0.597 . . . . 0.0 110.187 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.38 25.98 4.47 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 121.967 0.889 . . . . 0.0 109.408 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.535 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 8.8 ptpt -99.36 165.99 11.41 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.144 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.535 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 18.9 m0 60.74 100.78 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.223 -0.923 . . . . 0.0 110.146 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.48 -1.84 8.94 Favored 'Trans proline' 0 C--N 1.302 -1.881 0 O-C-N 124.246 1.656 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.445 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 41.4 p-90 -120.66 41.53 3.24 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.053 -1.029 . . . . 0.0 110.073 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -94.7 119.59 65.95 Favored Pre-proline 0 C--N 1.303 -1.431 0 O-C-N 121.44 -0.788 . . . . 0.0 109.97 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.55 -45.98 0.51 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.847 1.446 . . . . 0.0 110.915 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -81.0 -174.18 4.7 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.15 -0.969 . . . . 0.0 110.464 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 15.9 ptt-85 -170.33 -174.44 1.69 Allowed 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.167 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 161.79 71.07 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 121.892 0.854 . . . . 0.0 109.089 179.454 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 15' ' ' LYS . 2.9 t -99.93 -132.71 0.26 Allowed 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.555 0.693 . . . . 0.0 109.786 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' CYS . 5.3 tptt . . . . . 0 C--N 1.295 -1.798 0 O-C-N 121.864 -0.523 . . . . 0.0 110.679 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.474 ' O ' ' O ' ' A' ' 3' ' ' LEU . 20.2 t . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.766 0.793 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.597 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 12.4 tp -57.03 -127.91 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.928 -0.483 . . . . 0.0 111.356 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.597 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.6 tttt 82.32 22.77 0.23 Allowed 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 122.341 1.067 . . . . 0.0 108.443 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.583 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 1.0 OUTLIER -121.57 178.73 4.71 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.27 179.213 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.583 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 12.7 m0 66.03 102.87 0.03 OUTLIER Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.37 -0.831 . . . . 0.0 109.667 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.87 -4.2 11.91 Favored 'Trans proline' 0 C--N 1.302 -1.904 0 O-C-N 124.117 1.588 . . . . 0.0 110.987 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.438 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 30.3 p-90 -125.95 40.55 3.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.06 -1.025 . . . . 0.0 110.118 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.546 ' CD1' HD22 ' A' ' 3' ' ' LEU . 9.6 t-105 -97.61 126.82 39.79 Favored Pre-proline 0 C--N 1.302 -1.48 0 O-C-N 121.325 -0.859 . . . . 0.0 110.064 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HD2' ' CE3' ' A' ' 9' ' ' TRP . 44.9 Cg_endo -72.44 -40.6 2.13 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.963 1.507 . . . . 0.0 110.734 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.477 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 1.3 m-90 -98.1 -174.75 2.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.166 -0.959 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -179.51 -105.45 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.847 -0.533 . . . . 0.0 110.321 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 77.63 62.5 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 122.241 1.02 . . . . 0.0 109.251 -179.445 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 4' ' ' LYS . 3.6 t -120.07 -134.07 0.31 Allowed 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.67 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.292 -1.924 0 O-C-N 121.576 -0.703 . . . . 0.0 110.257 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 19.6 t . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.867 0.841 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.427 HD23 ' HG2' ' A' ' 5' ' ' LYS . 1.9 mt -66.74 121.62 15.83 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.531 0.682 . . . . 0.0 110.528 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.66 24.52 7.15 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 122.137 0.97 . . . . 0.0 108.815 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.516 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 8.6 ptpp? -132.31 169.34 16.62 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.261 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.516 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 11.5 m0 63.61 92.77 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.467 -0.771 . . . . 0.0 110.272 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.02 -5.37 17.08 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.194 1.628 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.484 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 54.8 p-90 -119.16 44.68 2.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.03 -1.044 . . . . 0.0 110.074 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -86.38 123.19 71.67 Favored Pre-proline 0 C--N 1.301 -1.503 0 O-C-N 121.209 -0.932 . . . . 0.0 109.991 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.52 -52.57 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.627 0 O-C-N 123.934 1.492 . . . . 0.0 110.584 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -76.66 -173.44 2.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.275 -0.891 . . . . 0.0 110.07 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.53 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -171.99 175.78 3.73 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.791 -0.568 . . . . 0.0 110.198 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.537 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 6.9 ttp-105 163.82 70.01 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 122.13 0.966 . . . . 0.0 109.255 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 15' ' ' LYS . 2.2 t -111.28 -132.67 0.33 Allowed 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 121.368 0.604 . . . . 0.0 109.441 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' CYS . 2.3 tttm . . . . . 0 C--N 1.295 -1.795 0 O-C-N 121.748 -0.595 . . . . 0.0 110.469 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.437 ' CD1' ' H ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 122.199 0.999 . . . . 0.0 110.087 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.437 ' H ' ' CD1' ' A' ' 1' ' ' ILE . 29.0 t -92.55 159.9 15.28 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-O 121.874 0.845 . . . . 0.0 110.59 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.506 ' CD1' ' C ' ' A' ' 3' ' ' LEU . 3.3 tm? -69.41 110.23 4.6 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.462 0.648 . . . . 0.0 110.23 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.07 27.12 3.88 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 122.036 0.922 . . . . 0.0 109.176 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.583 ' HG3' ' CE2' ' A' ' 6' ' ' TRP . 0.7 OUTLIER -117.49 171.86 7.72 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.364 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.583 ' CE2' ' HG3' ' A' ' 5' ' ' LYS . 20.1 m0 61.35 100.14 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.43 -2.88 10.71 Favored 'Trans proline' 0 C--N 1.303 -1.854 0 O-C-N 124.265 1.666 . . . . 0.0 110.931 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.43 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 49.2 p-90 -123.86 44.04 2.82 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.046 -1.034 . . . . 0.0 110.088 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.576 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 27.9 t-105 -89.18 134.96 32.06 Favored Pre-proline 0 C--N 1.302 -1.464 0 O-C-N 121.352 -0.843 . . . . 0.0 110.051 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.576 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.3 Cg_endo -71.59 -58.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 O-C-N 123.895 1.471 . . . . 0.0 110.631 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.465 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.6 m-90 -80.49 -173.71 4.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.205 -0.934 . . . . 0.0 110.067 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.545 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 177.06 -111.59 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.868 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.281 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.545 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 4.6 mtp180 76.32 62.62 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.321 1.058 . . . . 0.0 108.957 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' LYS . 2.7 t -106.75 -133.24 0.33 Allowed 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.898 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -38.71 -44.81 1.04 Allowed 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.793 -0.567 . . . . 0.0 110.578 -179.713 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.845 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.834 0.826 . . . . 0.0 110.55 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.6 170.74 11.03 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 122.092 0.949 . . . . 0.0 110.529 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.68 113.14 2.31 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.701 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 4.4 tttt -126.79 23.24 6.71 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.99 0.9 . . . . 0.0 109.272 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.579 ' HD2' ' CE2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -103.44 170.4 7.97 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.46 -179.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.579 ' CE2' ' HD2' ' A' ' 5' ' ' LYS . 36.2 m0 59.44 93.49 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.396 -0.815 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -73.24 -10.21 23.98 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 124.064 1.56 . . . . 0.0 110.985 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.517 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 56.9 p-90 -121.08 43.93 2.66 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.99 -1.069 . . . . 0.0 110.069 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 11' ' ' TRP . 9.8 t-105 -81.88 123.24 80.3 Favored Pre-proline 0 C--N 1.302 -1.484 0 O-C-N 121.205 -0.934 . . . . 0.0 110.037 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.479 ' HD2' ' CE3' ' A' ' 9' ' ' TRP . 42.3 Cg_endo -69.54 -38.0 8.89 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 O-C-N 123.863 1.454 . . . . 0.0 109.93 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.583 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 2.3 m-90 -100.15 -171.7 2.08 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.308 -0.87 . . . . 0.0 109.822 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.638 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 37.93 -168.5 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.523 -179.725 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.638 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 148.07 73.58 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -179.611 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -99.18 -137.14 0.3 Allowed 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.691 0.757 . . . . 0.0 110.126 -179.41 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' CYS . 17.6 tttt -41.83 103.79 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.04 0 O-C-N 121.765 -0.585 . . . . 0.0 110.361 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.829 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.916 0.865 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 13.8 t -78.8 159.62 27.77 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-O 121.775 0.797 . . . . 0.0 110.445 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.574 HD21 ' CZ3' ' A' ' 6' ' ' TRP . 2.1 mt -71.78 117.2 13.07 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.501 0.667 . . . . 0.0 110.642 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.92 26.21 5.25 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 122.151 0.977 . . . . 0.0 108.751 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.553 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 1.3 ptpm? -128.37 178.52 6.22 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.442 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.574 ' CZ3' HD21 ' A' ' 3' ' ' LEU . 15.5 m0 65.09 95.86 0.05 OUTLIER Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.599 -0.688 . . . . 0.0 110.314 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -71.45 -3.12 12.38 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 O-C-N 124.233 1.649 . . . . 0.0 111.094 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.494 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 53.5 p-90 -122.96 45.17 2.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.962 -1.086 . . . . 0.0 110.161 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.517 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 38.0 t-105 -86.77 135.24 35.91 Favored Pre-proline 0 C--N 1.303 -1.442 0 O-C-N 121.314 -0.866 . . . . 0.0 110.109 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.517 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.6 Cg_endo -72.95 -62.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 O-C-N 123.99 1.521 . . . . 0.0 110.755 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.465 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 1.6 m0 -74.55 -173.31 1.74 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.277 -0.89 . . . . 0.0 110.185 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.541 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.9 OUTLIER 173.67 158.44 0.14 Allowed 'General case' 0 C--N 1.294 -1.847 0 O-C-N 121.837 -0.539 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.541 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 162.12 70.5 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 121.969 0.89 . . . . 0.0 108.947 179.48 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' LYS . 1.8 t -111.55 -134.12 0.35 Allowed 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.508 0.67 . . . . 0.0 109.85 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' CYS . 41.6 tttt -39.13 104.47 0.03 OUTLIER 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.78 -0.575 . . . . 0.0 110.585 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.812 -1.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.453 ' CD1' ' H ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 122.21 1.005 . . . . 0.0 110.096 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.453 ' H ' ' CD1' ' A' ' 1' ' ' ILE . 23.0 t -88.84 160.22 17.34 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-O 121.745 0.783 . . . . 0.0 110.57 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.51 ' C ' ' CD1' ' A' ' 3' ' ' LEU . 3.1 tm? -62.19 105.95 0.67 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 121.461 0.648 . . . . 0.0 110.249 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -135.87 28.32 3.22 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.947 0.88 . . . . 0.0 109.19 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 1.2 ptpp? -132.9 175.9 8.95 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.359 0.6 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.566 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 9.2 m0 65.75 98.46 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.484 -0.76 . . . . 0.0 110.22 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.87 -1.2 9.02 Favored 'Trans proline' 0 C--N 1.303 -1.835 0 O-C-N 124.185 1.624 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.429 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 48.2 p-90 -120.32 43.99 2.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.056 -1.027 . . . . 0.0 110.14 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -90.9 127.71 50.86 Favored Pre-proline 0 C--N 1.303 -1.443 0 O-C-N 121.332 -0.855 . . . . 0.0 109.949 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.65 -57.08 0.08 OUTLIER 'Trans proline' 0 C--N 1.307 -1.649 0 O-C-N 123.879 1.463 . . . . 0.0 110.904 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.423 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.5 m-90 -73.46 -173.95 1.55 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.182 -0.949 . . . . 0.0 110.53 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 2.9 ptm180 -177.25 157.07 1.3 Allowed 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.136 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.539 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 162.9 69.83 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.807 0.813 . . . . 0.0 109.471 179.511 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' LYS . 1.7 t -116.55 -134.71 0.34 Allowed 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.489 0.661 . . . . 0.0 109.866 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -38.96 119.02 0.83 Allowed 'General case' 0 C--N 1.293 -1.862 0 O-C-N 121.804 -0.56 . . . . 0.0 110.62 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.888 -1.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.607 ' CG2' ' N ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 122.548 1.166 . . . . 0.0 110.278 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.607 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 18.2 t -56.27 159.63 3.43 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.543 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.446 HD12 ' CZ3' ' A' ' 6' ' ' TRP . 3.1 tp -62.91 114.43 3.66 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.463 0.649 . . . . 0.0 110.528 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.22 26.77 4.84 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 122.162 0.982 . . . . 0.0 108.882 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.582 ' HG2' ' CD2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -135.33 -179.25 5.52 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.421 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.582 ' CD2' ' HG2' ' A' ' 5' ' ' LYS . 9.8 m0 67.59 94.77 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 121.637 -0.665 . . . . 0.0 110.252 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -71.69 -5.31 16.79 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 O-C-N 124.16 1.611 . . . . 0.0 111.068 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.492 ' O ' ' CE3' ' A' ' 8' ' ' TRP . 54.8 p-90 -122.59 44.64 2.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.973 -1.08 . . . . 0.0 110.111 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.481 ' CD1' ' O ' ' A' ' 11' ' ' TRP . 13.0 t-105 -85.86 126.08 66.86 Favored Pre-proline 0 C--N 1.302 -1.459 0 O-C-N 121.195 -0.94 . . . . 0.0 109.994 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.42 ' HD2' ' CE3' ' A' ' 9' ' ' TRP . 44.5 Cg_endo -71.38 -42.77 1.74 Allowed 'Trans proline' 0 C--N 1.307 -1.622 0 O-C-N 123.838 1.441 . . . . 0.0 110.608 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.521 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 1.6 m-90 -94.98 -172.87 2.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.266 -0.896 . . . . 0.0 110.02 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 172.29 167.75 0.11 Allowed 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.371 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 161.71 70.77 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 121.978 0.894 . . . . 0.0 108.9 179.51 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' LYS . 1.5 t -110.2 -134.34 0.35 Allowed 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.486 0.66 . . . . 0.0 109.867 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' CYS . 8.3 ttpt -38.04 101.0 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.93 -0.481 . . . . 0.0 110.654 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.816 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.413 HG22 HD11 ' A' ' 1' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.9 0.857 . . . . 0.0 110.582 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 11.2 t -59.42 161.21 5.94 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.835 0.826 . . . . 0.0 110.491 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.519 HD21 ' CE2' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -42.19 105.27 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 121.499 0.666 . . . . 0.0 110.428 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.43 29.52 1.97 Allowed 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 122.04 0.924 . . . . 0.0 109.18 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.577 ' HD2' ' CZ2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -143.13 170.68 15.28 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.282 0.563 . . . . 0.0 110.264 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.577 ' CZ2' ' HD2' ' A' ' 5' ' ' LYS . 5.9 m0 66.03 98.38 0.04 OUTLIER Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.311 -0.868 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -71.1 -3.0 11.99 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 O-C-N 124.11 1.584 . . . . 0.0 110.757 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.461 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 51.0 p-90 -119.21 44.28 2.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -0.992 . . . . 0.0 109.888 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.519 ' CE2' HD21 ' A' ' 3' ' ' LEU . 32.9 t-105 -87.98 126.21 61.9 Favored Pre-proline 0 C--N 1.301 -1.513 0 O-C-N 121.387 -0.821 . . . . 0.0 109.959 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.453 ' HG2' ' CD2' ' A' ' 11' ' ' TRP . 43.4 Cg_endo -70.2 -46.45 1.04 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 O-C-N 123.915 1.482 . . . . 0.0 110.307 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.472 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 2.4 m-90 -84.53 -171.12 3.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.346 -0.846 . . . . 0.0 110.021 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.571 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -179.08 -131.09 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.224 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.571 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 5.7 ttt85 78.61 63.66 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 122.265 1.031 . . . . 0.0 109.182 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' LYS . 5.0 t -108.92 -129.61 0.29 Allowed 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.872 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' CYS . 1.0 OUTLIER -39.96 -66.5 0.3 Allowed 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.684 -0.635 . . . . 0.0 110.563 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.6 ' CG2' ' N ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 122.541 1.162 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.6 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 26.3 t -97.41 160.34 14.38 Favored 'General case' 0 C--N 1.282 -2.341 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.126 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.575 HD13 ' CE3' ' A' ' 6' ' ' TRP . 1.4 pp -137.44 136.35 37.71 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.386 0.612 . . . . 0.0 110.54 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -101.89 14.9 30.64 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 122.316 1.055 . . . . 0.0 108.662 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.574 ' HD2' ' CZ2' ' A' ' 6' ' ' TRP . 18.6 ptpt -106.7 179.78 4.17 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.432 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.575 ' CE3' HD13 ' A' ' 3' ' ' LEU . 30.5 m0 63.93 97.32 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.757 0 O-C-N 121.835 -0.541 . . . . 0.0 110.134 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -71.05 -0.53 8.11 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 124.221 1.643 . . . . 0.0 110.97 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.428 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 48.4 p-90 -120.06 44.14 2.5 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.04 -1.038 . . . . 0.0 110.147 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.403 ' CZ3' ' CE3' ' A' ' 6' ' ' TRP . 35.7 t-105 -89.46 121.87 68.89 Favored Pre-proline 0 C--N 1.302 -1.472 0 O-C-N 121.373 -0.829 . . . . 0.0 109.823 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -71.23 -49.34 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.943 1.496 . . . . 0.0 110.665 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.449 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.3 m-90 -78.89 -175.0 4.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.109 -0.994 . . . . 0.0 110.425 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.555 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -178.91 -140.57 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.139 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 4.3 ttt85 79.43 64.03 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 122.194 0.997 . . . . 0.0 109.428 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' LYS . 3.9 t -99.73 -132.05 0.24 Allowed 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.848 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' CYS . 12.6 tttt -39.16 101.59 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.728 -0.607 . . . . 0.0 110.51 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.856 0.836 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 12.9 t -89.86 159.62 16.89 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.792 0.806 . . . . 0.0 110.595 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.495 ' CD1' ' C ' ' A' ' 3' ' ' LEU . 3.3 tm? -91.33 108.03 19.61 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.353 0.597 . . . . 0.0 110.187 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.38 25.98 4.47 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 121.967 0.889 . . . . 0.0 109.408 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.535 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 8.8 ptpt -99.36 165.99 11.41 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.144 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.535 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 18.9 m0 60.74 100.78 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.223 -0.923 . . . . 0.0 110.146 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.48 -1.84 8.94 Favored 'Trans proline' 0 C--N 1.302 -1.881 0 O-C-N 124.246 1.656 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.445 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 41.4 p-90 -120.66 41.53 3.24 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.053 -1.029 . . . . 0.0 110.073 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -94.7 119.59 65.95 Favored Pre-proline 0 C--N 1.303 -1.431 0 O-C-N 121.44 -0.788 . . . . 0.0 109.97 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.55 -45.98 0.51 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.847 1.446 . . . . 0.0 110.915 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -81.0 -174.18 4.7 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.15 -0.969 . . . . 0.0 110.464 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 15.9 ptt-85 -170.33 -174.44 1.69 Allowed 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.167 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 161.79 71.07 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 121.892 0.854 . . . . 0.0 109.089 179.454 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 15' ' ' LYS . 2.9 t -99.93 -132.71 0.26 Allowed 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.555 0.693 . . . . 0.0 109.786 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' CYS . 5.3 tptt -38.51 128.25 1.45 Allowed 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.864 -0.523 . . . . 0.0 110.679 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.952 -1.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.591 ' CD1' ' N ' ' A' ' 2' ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 122.287 1.041 . . . . 0.0 110.366 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.591 ' N ' ' CD1' ' A' ' 1' ' ' ILE . 20.2 t -57.12 161.04 3.34 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-O 121.766 0.793 . . . . 0.0 110.554 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.597 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 12.4 tp -57.03 -127.91 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.928 -0.483 . . . . 0.0 111.356 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.597 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.6 tttt 82.32 22.77 0.23 Allowed 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 122.341 1.067 . . . . 0.0 108.443 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.583 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 1.0 OUTLIER -121.57 178.73 4.71 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.27 179.213 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.583 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 12.7 m0 66.03 102.87 0.03 OUTLIER Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.37 -0.831 . . . . 0.0 109.667 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.87 -4.2 11.91 Favored 'Trans proline' 0 C--N 1.302 -1.904 0 O-C-N 124.117 1.588 . . . . 0.0 110.987 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.438 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 30.3 p-90 -125.95 40.55 3.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.06 -1.025 . . . . 0.0 110.118 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.546 ' CD1' HD22 ' A' ' 3' ' ' LEU . 9.6 t-105 -97.61 126.82 39.79 Favored Pre-proline 0 C--N 1.302 -1.48 0 O-C-N 121.325 -0.859 . . . . 0.0 110.064 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HD2' ' CE3' ' A' ' 9' ' ' TRP . 44.9 Cg_endo -72.44 -40.6 2.13 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.963 1.507 . . . . 0.0 110.734 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.477 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 1.3 m-90 -98.1 -174.75 2.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.166 -0.959 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -179.51 -105.45 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.847 -0.533 . . . . 0.0 110.321 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 77.63 62.5 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 122.241 1.02 . . . . 0.0 109.251 -179.445 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 4' ' ' LYS . 3.6 t -120.07 -134.07 0.31 Allowed 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.67 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.95 -63.27 0.89 Allowed 'General case' 0 C--N 1.292 -1.924 0 O-C-N 121.576 -0.703 . . . . 0.0 110.257 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 119.928 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.613 ' CG2' ' N ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 122.574 1.178 . . . . 0.0 110.34 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.613 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 19.6 t -61.98 158.7 15.75 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.608 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.427 HD23 ' HG2' ' A' ' 5' ' ' LYS . 1.9 mt -66.74 121.62 15.83 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.531 0.682 . . . . 0.0 110.528 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.66 24.52 7.15 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 122.137 0.97 . . . . 0.0 108.815 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.516 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 8.6 ptpp? -132.31 169.34 16.62 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.261 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.516 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 11.5 m0 63.61 92.77 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.467 -0.771 . . . . 0.0 110.272 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.02 -5.37 17.08 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.194 1.628 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.484 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 54.8 p-90 -119.16 44.68 2.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.03 -1.044 . . . . 0.0 110.074 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -86.38 123.19 71.67 Favored Pre-proline 0 C--N 1.301 -1.503 0 O-C-N 121.209 -0.932 . . . . 0.0 109.991 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.52 -52.57 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.627 0 O-C-N 123.934 1.492 . . . . 0.0 110.584 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -76.66 -173.44 2.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.275 -0.891 . . . . 0.0 110.07 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.53 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -171.99 175.78 3.73 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.791 -0.568 . . . . 0.0 110.198 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.537 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 6.9 ttp-105 163.82 70.01 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 122.13 0.966 . . . . 0.0 109.255 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 16' ' ' NH2 . 2.2 t -111.28 -132.67 0.33 Allowed 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 121.368 0.604 . . . . 0.0 109.441 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' CYS . 2.3 tttm -38.22 92.68 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.748 -0.595 . . . . 0.0 110.469 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' NH2 . . . . . 0.508 ' N ' ' O ' ' A' ' 14' ' ' CYS . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.813 -1.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 29.0 t . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.874 0.845 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.785 HD13 ' C ' ' A' ' 3' ' ' LEU . 3.3 tm? -69.41 110.23 4.6 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.462 0.648 . . . . 0.0 110.23 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.07 27.12 3.88 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 122.036 0.922 . . . . 0.0 109.176 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.595 ' HG3' ' CE2' ' A' ' 6' ' ' TRP . 0.7 OUTLIER -117.49 171.86 7.72 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.364 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.595 ' CE2' ' HG3' ' A' ' 5' ' ' LYS . 20.1 m0 61.35 100.14 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 6' ' ' TRP . 43.2 Cg_endo -69.43 -2.88 10.71 Favored 'Trans proline' 0 C--N 1.303 -1.854 0 O-C-N 124.265 1.666 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.43 ' O ' ' CE3' ' A' ' 8' ' ' TRP . 49.2 p-90 -123.86 44.04 2.82 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.046 -1.034 . . . . 0.0 110.088 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.585 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 27.9 t-105 -89.18 134.96 32.06 Favored Pre-proline 0 C--N 1.302 -1.464 0 O-C-N 121.352 -0.843 . . . . 0.0 110.051 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.585 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.3 Cg_endo -71.59 -58.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 O-C-N 123.895 1.471 . . . . 0.0 110.631 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.448 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.6 m-90 -80.49 -173.71 4.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.205 -0.934 . . . . 0.0 110.067 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.545 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 177.06 -111.59 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.868 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.281 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.545 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 4.6 mtp180 76.32 62.62 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.321 1.058 . . . . 0.0 108.957 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' LYS . 2.7 t -106.75 -133.24 0.33 Allowed 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.898 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.294 -1.842 0 O-C-N 121.793 -0.567 . . . . 0.0 110.578 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 122.092 0.949 . . . . 0.0 110.529 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.68 113.14 2.31 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.701 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 4.4 tttt -126.79 23.24 6.71 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.99 0.9 . . . . 0.0 109.272 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.598 ' HD2' ' CE2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -103.44 170.4 7.97 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.46 -179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.598 ' CE2' ' HD2' ' A' ' 5' ' ' LYS . 36.2 m0 59.44 93.49 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.396 -0.815 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -73.24 -10.21 23.98 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 124.064 1.56 . . . . 0.0 110.985 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.517 ' O ' ' CE3' ' A' ' 8' ' ' TRP . 56.9 p-90 -121.08 43.93 2.66 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.99 -1.069 . . . . 0.0 110.069 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 11' ' ' TRP . 9.8 t-105 -81.88 123.24 80.3 Favored Pre-proline 0 C--N 1.302 -1.484 0 O-C-N 121.205 -0.934 . . . . 0.0 110.037 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.502 ' HD2' ' CE3' ' A' ' 9' ' ' TRP . 42.3 Cg_endo -69.54 -38.0 8.89 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 O-C-N 123.863 1.454 . . . . 0.0 109.93 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.583 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 2.3 m-90 -100.15 -171.7 2.08 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.308 -0.87 . . . . 0.0 109.822 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.638 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 37.93 -168.5 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.523 -179.725 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.638 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 148.07 73.58 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -179.611 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -99.18 -137.14 0.3 Allowed 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.691 0.757 . . . . 0.0 110.126 -179.41 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' CYS . 17.6 tttt . . . . . 0 C--N 1.289 -2.04 0 O-C-N 121.765 -0.585 . . . . 0.0 110.361 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 13.8 t . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.775 0.797 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.586 HD21 ' CZ3' ' A' ' 6' ' ' TRP . 2.1 mt -71.78 117.2 13.07 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.501 0.667 . . . . 0.0 110.642 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.92 26.21 5.25 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 122.151 0.977 . . . . 0.0 108.751 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.553 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 1.3 ptpm? -128.37 178.52 6.22 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.442 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.586 ' CZ3' HD21 ' A' ' 3' ' ' LEU . 15.5 m0 65.09 95.86 0.05 OUTLIER Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.599 -0.688 . . . . 0.0 110.314 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -71.45 -3.12 12.38 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 O-C-N 124.233 1.649 . . . . 0.0 111.094 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.494 ' O ' ' CE3' ' A' ' 8' ' ' TRP . 53.5 p-90 -122.96 45.17 2.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.962 -1.086 . . . . 0.0 110.161 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.529 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 38.0 t-105 -86.77 135.24 35.91 Favored Pre-proline 0 C--N 1.303 -1.442 0 O-C-N 121.314 -0.866 . . . . 0.0 110.109 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.529 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.6 Cg_endo -72.95 -62.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 O-C-N 123.99 1.521 . . . . 0.0 110.755 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.472 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 1.6 m0 -74.55 -173.31 1.74 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.277 -0.89 . . . . 0.0 110.185 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.541 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.9 OUTLIER 173.67 158.44 0.14 Allowed 'General case' 0 C--N 1.294 -1.847 0 O-C-N 121.837 -0.539 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.541 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 162.12 70.5 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 121.969 0.89 . . . . 0.0 108.947 179.48 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' LYS . 1.8 t -111.55 -134.12 0.35 Allowed 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.508 0.67 . . . . 0.0 109.85 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' CYS . 41.6 tttt . . . . . 0 C--N 1.295 -1.803 0 O-C-N 121.78 -0.575 . . . . 0.0 110.585 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 23.0 t . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.745 0.783 . . . . 0.0 110.57 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.789 HD13 ' C ' ' A' ' 3' ' ' LEU . 3.1 tm? -62.19 105.95 0.67 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 121.461 0.648 . . . . 0.0 110.249 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -135.87 28.32 3.22 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.947 0.88 . . . . 0.0 109.19 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.567 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 1.2 ptpp? -132.9 175.9 8.95 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.359 0.6 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.567 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 9.2 m0 65.75 98.46 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.484 -0.76 . . . . 0.0 110.22 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.87 -1.2 9.02 Favored 'Trans proline' 0 C--N 1.303 -1.835 0 O-C-N 124.185 1.624 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.429 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 48.2 p-90 -120.32 43.99 2.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.056 -1.027 . . . . 0.0 110.14 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -90.9 127.71 50.86 Favored Pre-proline 0 C--N 1.303 -1.443 0 O-C-N 121.332 -0.855 . . . . 0.0 109.949 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.65 -57.08 0.08 OUTLIER 'Trans proline' 0 C--N 1.307 -1.649 0 O-C-N 123.879 1.463 . . . . 0.0 110.904 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.419 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.5 m-90 -73.46 -173.95 1.55 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.182 -0.949 . . . . 0.0 110.53 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 2.9 ptm180 -177.25 157.07 1.3 Allowed 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.136 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.539 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 162.9 69.83 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.807 0.813 . . . . 0.0 109.471 179.511 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' LYS . 1.7 t -116.55 -134.71 0.34 Allowed 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.489 0.661 . . . . 0.0 109.866 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.293 -1.862 0 O-C-N 121.804 -0.56 . . . . 0.0 110.62 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 18.2 t . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.812 0.815 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.806 HD11 ' CZ3' ' A' ' 6' ' ' TRP . 3.1 tp -62.91 114.43 3.66 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.463 0.649 . . . . 0.0 110.528 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.22 26.77 4.84 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 122.162 0.982 . . . . 0.0 108.882 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.605 ' HG2' ' CD2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -135.33 -179.25 5.52 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.421 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.806 ' CZ3' HD11 ' A' ' 3' ' ' LEU . 9.8 m0 67.59 94.77 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 121.637 -0.665 . . . . 0.0 110.252 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 6' ' ' TRP . 44.2 Cg_endo -71.69 -5.31 16.79 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 O-C-N 124.16 1.611 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.492 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 54.8 p-90 -122.59 44.64 2.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.973 -1.08 . . . . 0.0 110.111 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.481 ' CD1' ' O ' ' A' ' 11' ' ' TRP . 13.0 t-105 -85.86 126.08 66.86 Favored Pre-proline 0 C--N 1.302 -1.459 0 O-C-N 121.195 -0.94 . . . . 0.0 109.994 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.443 ' HD2' ' CE3' ' A' ' 9' ' ' TRP . 44.5 Cg_endo -71.38 -42.77 1.74 Allowed 'Trans proline' 0 C--N 1.307 -1.622 0 O-C-N 123.838 1.441 . . . . 0.0 110.608 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.521 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 1.6 m-90 -94.98 -172.87 2.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.266 -0.896 . . . . 0.0 110.02 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 172.29 167.75 0.11 Allowed 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.371 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 161.71 70.77 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 121.978 0.894 . . . . 0.0 108.9 179.51 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' LYS . 1.5 t -110.2 -134.34 0.35 Allowed 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.486 0.66 . . . . 0.0 109.867 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' CYS . 8.3 ttpt . . . . . 0 C--N 1.295 -1.783 0 O-C-N 121.93 -0.481 . . . . 0.0 110.654 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 11.2 t . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.835 0.826 . . . . 0.0 110.491 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -42.19 105.27 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 121.499 0.666 . . . . 0.0 110.428 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.43 29.52 1.97 Allowed 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 122.04 0.924 . . . . 0.0 109.18 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.6 ' HD2' ' CZ2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -143.13 170.68 15.28 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.282 0.563 . . . . 0.0 110.264 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.6 ' CZ2' ' HD2' ' A' ' 5' ' ' LYS . 5.9 m0 66.03 98.38 0.04 OUTLIER Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.311 -0.868 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -71.1 -3.0 11.99 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 O-C-N 124.11 1.584 . . . . 0.0 110.757 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.461 ' O ' ' CE3' ' A' ' 8' ' ' TRP . 51.0 p-90 -119.21 44.28 2.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -0.992 . . . . 0.0 109.888 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.431 ' CE2' HD21 ' A' ' 3' ' ' LEU . 32.9 t-105 -87.98 126.21 61.9 Favored Pre-proline 0 C--N 1.301 -1.513 0 O-C-N 121.387 -0.821 . . . . 0.0 109.959 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 11' ' ' TRP . 43.4 Cg_endo -70.2 -46.45 1.04 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 O-C-N 123.915 1.482 . . . . 0.0 110.307 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.463 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 2.4 m-90 -84.53 -171.12 3.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.346 -0.846 . . . . 0.0 110.021 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.571 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -179.08 -131.09 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.224 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.571 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 5.7 ttt85 78.61 63.66 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 122.265 1.031 . . . . 0.0 109.182 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' LYS . 5.0 t -108.92 -129.61 0.29 Allowed 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.872 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.295 -1.798 0 O-C-N 121.684 -0.635 . . . . 0.0 110.563 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 26.3 t . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.796 0.808 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.765 HD21 ' CE2' ' A' ' 9' ' ' TRP . 1.4 pp -137.44 136.35 37.71 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.386 0.612 . . . . 0.0 110.54 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -101.89 14.9 30.64 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 122.316 1.055 . . . . 0.0 108.662 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.593 ' HD2' ' CZ2' ' A' ' 6' ' ' TRP . 18.6 ptpt -106.7 179.78 4.17 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.432 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.68 ' CE3' HD13 ' A' ' 3' ' ' LEU . 30.5 m0 63.93 97.32 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.757 0 O-C-N 121.835 -0.541 . . . . 0.0 110.134 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 6' ' ' TRP . 43.8 Cg_endo -71.05 -0.53 8.11 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 124.221 1.643 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.428 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 48.4 p-90 -120.06 44.14 2.5 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.04 -1.038 . . . . 0.0 110.147 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.765 ' CE2' HD21 ' A' ' 3' ' ' LEU . 35.7 t-105 -89.46 121.87 68.89 Favored Pre-proline 0 C--N 1.302 -1.472 0 O-C-N 121.373 -0.829 . . . . 0.0 109.823 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -71.23 -49.34 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.943 1.496 . . . . 0.0 110.665 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.444 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.3 m-90 -78.89 -175.0 4.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.109 -0.994 . . . . 0.0 110.425 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.555 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -178.91 -140.57 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.139 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 4.3 ttt85 79.43 64.03 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 122.194 0.997 . . . . 0.0 109.428 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' LYS . 3.9 t -99.73 -132.05 0.24 Allowed 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.848 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' CYS . 12.6 tttt . . . . . 0 C--N 1.295 -1.799 0 O-C-N 121.728 -0.607 . . . . 0.0 110.51 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 12.9 t . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.792 0.806 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' ' 3' ' ' LEU . 3.3 tm? -91.33 108.03 19.61 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.353 0.597 . . . . 0.0 110.187 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.38 25.98 4.47 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 121.967 0.889 . . . . 0.0 109.408 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.532 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 8.8 ptpt -99.36 165.99 11.41 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.144 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.532 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 18.9 m0 60.74 100.78 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.223 -0.923 . . . . 0.0 110.146 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.48 -1.84 8.94 Favored 'Trans proline' 0 C--N 1.302 -1.881 0 O-C-N 124.246 1.656 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.445 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 41.4 p-90 -120.66 41.53 3.24 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.053 -1.029 . . . . 0.0 110.073 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -94.7 119.59 65.95 Favored Pre-proline 0 C--N 1.303 -1.431 0 O-C-N 121.44 -0.788 . . . . 0.0 109.97 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.55 -45.98 0.51 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.847 1.446 . . . . 0.0 110.915 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -81.0 -174.18 4.7 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.15 -0.969 . . . . 0.0 110.464 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 15.9 ptt-85 -170.33 -174.44 1.69 Allowed 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.167 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 161.79 71.07 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 121.892 0.854 . . . . 0.0 109.089 179.454 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 15' ' ' LYS . 2.9 t -99.93 -132.71 0.26 Allowed 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.555 0.693 . . . . 0.0 109.786 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' CYS . 5.3 tptt . . . . . 0 C--N 1.295 -1.798 0 O-C-N 121.864 -0.523 . . . . 0.0 110.679 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.474 ' O ' ' O ' ' A' ' 3' ' ' LEU . 20.2 t . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.766 0.793 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.791 HD11 ' CZ3' ' A' ' 6' ' ' TRP . 12.4 tp -57.03 -127.91 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.928 -0.483 . . . . 0.0 111.356 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.597 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.6 tttt 82.32 22.77 0.23 Allowed 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 122.341 1.067 . . . . 0.0 108.443 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.587 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 1.0 OUTLIER -121.57 178.73 4.71 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.27 179.213 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.791 ' CZ3' HD11 ' A' ' 3' ' ' LEU . 12.7 m0 66.03 102.87 0.03 OUTLIER Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.37 -0.831 . . . . 0.0 109.667 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 6' ' ' TRP . 42.7 Cg_endo -67.87 -4.2 11.91 Favored 'Trans proline' 0 C--N 1.302 -1.904 0 O-C-N 124.117 1.588 . . . . 0.0 110.987 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.438 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 30.3 p-90 -125.95 40.55 3.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.06 -1.025 . . . . 0.0 110.118 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.681 ' NE1' HD21 ' A' ' 3' ' ' LEU . 9.6 t-105 -97.61 126.82 39.79 Favored Pre-proline 0 C--N 1.302 -1.48 0 O-C-N 121.325 -0.859 . . . . 0.0 110.064 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.486 ' HD2' ' CE3' ' A' ' 9' ' ' TRP . 44.9 Cg_endo -72.44 -40.6 2.13 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.963 1.507 . . . . 0.0 110.734 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.477 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 1.3 m-90 -98.1 -174.75 2.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.166 -0.959 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -179.51 -105.45 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.847 -0.533 . . . . 0.0 110.321 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 77.63 62.5 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 122.241 1.02 . . . . 0.0 109.251 -179.445 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 4' ' ' LYS . 3.6 t -120.07 -134.07 0.31 Allowed 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.67 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.292 -1.924 0 O-C-N 121.576 -0.703 . . . . 0.0 110.257 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 19.6 t . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.867 0.841 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.501 HD23 ' HA ' ' A' ' 3' ' ' LEU . 1.9 mt -66.74 121.62 15.83 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.531 0.682 . . . . 0.0 110.528 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.66 24.52 7.15 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 122.137 0.97 . . . . 0.0 108.815 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.516 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 8.6 ptpp? -132.31 169.34 16.62 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.261 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.516 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 11.5 m0 63.61 92.77 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.467 -0.771 . . . . 0.0 110.272 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.02 -5.37 17.08 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.194 1.628 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.484 ' O ' ' CE3' ' A' ' 8' ' ' TRP . 54.8 p-90 -119.16 44.68 2.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.03 -1.044 . . . . 0.0 110.074 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -86.38 123.19 71.67 Favored Pre-proline 0 C--N 1.301 -1.503 0 O-C-N 121.209 -0.932 . . . . 0.0 109.991 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.52 -52.57 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.627 0 O-C-N 123.934 1.492 . . . . 0.0 110.584 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -76.66 -173.44 2.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.275 -0.891 . . . . 0.0 110.07 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.53 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -171.99 175.78 3.73 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.791 -0.568 . . . . 0.0 110.198 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.537 ' CG ' ' O ' ' A' ' 13' ' ' ARG . 6.9 ttp-105 163.82 70.01 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 122.13 0.966 . . . . 0.0 109.255 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 15' ' ' LYS . 2.2 t -111.28 -132.67 0.33 Allowed 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 121.368 0.604 . . . . 0.0 109.441 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' CYS . 2.3 tttm . . . . . 0 C--N 1.295 -1.795 0 O-C-N 121.748 -0.595 . . . . 0.0 110.469 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.845 HD12 ' H ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 122.199 0.999 . . . . 0.0 110.087 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.845 ' H ' HD12 ' A' ' 1' ' ' ILE . 29.0 t -92.55 159.9 15.28 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-O 121.874 0.845 . . . . 0.0 110.59 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.785 ' C ' HD13 ' A' ' 3' ' ' LEU . 3.3 tm? -69.41 110.23 4.6 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.462 0.648 . . . . 0.0 110.23 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.07 27.12 3.88 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 122.036 0.922 . . . . 0.0 109.176 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.595 ' HG3' ' CE2' ' A' ' 6' ' ' TRP . 0.7 OUTLIER -117.49 171.86 7.72 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.364 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.595 ' CE2' ' HG3' ' A' ' 5' ' ' LYS . 20.1 m0 61.35 100.14 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 6' ' ' TRP . 43.2 Cg_endo -69.43 -2.88 10.71 Favored 'Trans proline' 0 C--N 1.303 -1.854 0 O-C-N 124.265 1.666 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.43 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 49.2 p-90 -123.86 44.04 2.82 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.046 -1.034 . . . . 0.0 110.088 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.585 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 27.9 t-105 -89.18 134.96 32.06 Favored Pre-proline 0 C--N 1.302 -1.464 0 O-C-N 121.352 -0.843 . . . . 0.0 110.051 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.585 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.3 Cg_endo -71.59 -58.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 O-C-N 123.895 1.471 . . . . 0.0 110.631 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.448 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.6 m-90 -80.49 -173.71 4.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.205 -0.934 . . . . 0.0 110.067 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.545 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 177.06 -111.59 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.868 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.281 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.545 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 4.6 mtp180 76.32 62.62 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.321 1.058 . . . . 0.0 108.957 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' LYS . 2.7 t -106.75 -133.24 0.33 Allowed 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.898 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -38.71 -44.81 1.04 Allowed 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.793 -0.567 . . . . 0.0 110.578 -179.713 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.845 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.834 0.826 . . . . 0.0 110.55 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.6 170.74 11.03 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 122.092 0.949 . . . . 0.0 110.529 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.68 113.14 2.31 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.701 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 4.4 tttt -126.79 23.24 6.71 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.99 0.9 . . . . 0.0 109.272 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.598 ' HD2' ' CE2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -103.44 170.4 7.97 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.46 -179.86 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.598 ' CE2' ' HD2' ' A' ' 5' ' ' LYS . 36.2 m0 59.44 93.49 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.396 -0.815 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -73.24 -10.21 23.98 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 124.064 1.56 . . . . 0.0 110.985 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.517 ' O ' ' CE3' ' A' ' 8' ' ' TRP . 56.9 p-90 -121.08 43.93 2.66 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.99 -1.069 . . . . 0.0 110.069 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 11' ' ' TRP . 9.8 t-105 -81.88 123.24 80.3 Favored Pre-proline 0 C--N 1.302 -1.484 0 O-C-N 121.205 -0.934 . . . . 0.0 110.037 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.502 ' HD2' ' CE3' ' A' ' 9' ' ' TRP . 42.3 Cg_endo -69.54 -38.0 8.89 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 O-C-N 123.863 1.454 . . . . 0.0 109.93 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.583 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 2.3 m-90 -100.15 -171.7 2.08 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.308 -0.87 . . . . 0.0 109.822 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.638 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 37.93 -168.5 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.523 -179.725 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.638 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 148.07 73.58 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -179.611 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -99.18 -137.14 0.3 Allowed 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.691 0.757 . . . . 0.0 110.126 -179.41 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' CYS . 17.6 tttt -41.83 103.79 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.04 0 O-C-N 121.765 -0.585 . . . . 0.0 110.361 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.829 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.916 0.865 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 13.8 t -78.8 159.62 27.77 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-O 121.775 0.797 . . . . 0.0 110.445 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.586 HD21 ' CZ3' ' A' ' 6' ' ' TRP . 2.1 mt -71.78 117.2 13.07 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.501 0.667 . . . . 0.0 110.642 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.92 26.21 5.25 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 122.151 0.977 . . . . 0.0 108.751 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.553 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 1.3 ptpm? -128.37 178.52 6.22 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.442 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.586 ' CZ3' HD21 ' A' ' 3' ' ' LEU . 15.5 m0 65.09 95.86 0.05 OUTLIER Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.599 -0.688 . . . . 0.0 110.314 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -71.45 -3.12 12.38 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 O-C-N 124.233 1.649 . . . . 0.0 111.094 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.494 ' O ' ' CE3' ' A' ' 8' ' ' TRP . 53.5 p-90 -122.96 45.17 2.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.962 -1.086 . . . . 0.0 110.161 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.529 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 38.0 t-105 -86.77 135.24 35.91 Favored Pre-proline 0 C--N 1.303 -1.442 0 O-C-N 121.314 -0.866 . . . . 0.0 110.109 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.529 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.6 Cg_endo -72.95 -62.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 O-C-N 123.99 1.521 . . . . 0.0 110.755 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.472 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 1.6 m0 -74.55 -173.31 1.74 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.277 -0.89 . . . . 0.0 110.185 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.541 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.9 OUTLIER 173.67 158.44 0.14 Allowed 'General case' 0 C--N 1.294 -1.847 0 O-C-N 121.837 -0.539 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.541 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 162.12 70.5 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 121.969 0.89 . . . . 0.0 108.947 179.48 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' LYS . 1.8 t -111.55 -134.12 0.35 Allowed 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.508 0.67 . . . . 0.0 109.85 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' CYS . 41.6 tttt -39.13 104.47 0.03 OUTLIER 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.78 -0.575 . . . . 0.0 110.585 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.812 -1.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.852 HD12 ' H ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 122.21 1.005 . . . . 0.0 110.096 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.852 ' H ' HD12 ' A' ' 1' ' ' ILE . 23.0 t -88.84 160.22 17.34 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-O 121.745 0.783 . . . . 0.0 110.57 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.789 ' C ' HD13 ' A' ' 3' ' ' LEU . 3.1 tm? -62.19 105.95 0.67 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 121.461 0.648 . . . . 0.0 110.249 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -135.87 28.32 3.22 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.947 0.88 . . . . 0.0 109.19 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.567 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 1.2 ptpp? -132.9 175.9 8.95 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.359 0.6 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.567 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 9.2 m0 65.75 98.46 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.484 -0.76 . . . . 0.0 110.22 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.87 -1.2 9.02 Favored 'Trans proline' 0 C--N 1.303 -1.835 0 O-C-N 124.185 1.624 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.429 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 48.2 p-90 -120.32 43.99 2.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.056 -1.027 . . . . 0.0 110.14 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -90.9 127.71 50.86 Favored Pre-proline 0 C--N 1.303 -1.443 0 O-C-N 121.332 -0.855 . . . . 0.0 109.949 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.65 -57.08 0.08 OUTLIER 'Trans proline' 0 C--N 1.307 -1.649 0 O-C-N 123.879 1.463 . . . . 0.0 110.904 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.419 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.5 m-90 -73.46 -173.95 1.55 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.182 -0.949 . . . . 0.0 110.53 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 2.9 ptm180 -177.25 157.07 1.3 Allowed 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.136 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.539 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 162.9 69.83 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.807 0.813 . . . . 0.0 109.471 179.511 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' LYS . 1.7 t -116.55 -134.71 0.34 Allowed 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.489 0.661 . . . . 0.0 109.866 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -38.96 119.02 0.83 Allowed 'General case' 0 C--N 1.293 -1.862 0 O-C-N 121.804 -0.56 . . . . 0.0 110.62 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.888 -1.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.607 ' CG2' ' N ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 122.548 1.166 . . . . 0.0 110.278 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.607 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 18.2 t -56.27 159.63 3.43 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.543 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.806 HD11 ' CZ3' ' A' ' 6' ' ' TRP . 3.1 tp -62.91 114.43 3.66 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.463 0.649 . . . . 0.0 110.528 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.22 26.77 4.84 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 122.162 0.982 . . . . 0.0 108.882 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.605 ' HG2' ' CD2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -135.33 -179.25 5.52 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.421 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.806 ' CZ3' HD11 ' A' ' 3' ' ' LEU . 9.8 m0 67.59 94.77 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 121.637 -0.665 . . . . 0.0 110.252 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 6' ' ' TRP . 44.2 Cg_endo -71.69 -5.31 16.79 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 O-C-N 124.16 1.611 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.492 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 54.8 p-90 -122.59 44.64 2.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.973 -1.08 . . . . 0.0 110.111 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.481 ' CD1' ' O ' ' A' ' 11' ' ' TRP . 13.0 t-105 -85.86 126.08 66.86 Favored Pre-proline 0 C--N 1.302 -1.459 0 O-C-N 121.195 -0.94 . . . . 0.0 109.994 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.443 ' HD2' ' CE3' ' A' ' 9' ' ' TRP . 44.5 Cg_endo -71.38 -42.77 1.74 Allowed 'Trans proline' 0 C--N 1.307 -1.622 0 O-C-N 123.838 1.441 . . . . 0.0 110.608 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.521 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 1.6 m-90 -94.98 -172.87 2.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.266 -0.896 . . . . 0.0 110.02 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 172.29 167.75 0.11 Allowed 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.371 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 161.71 70.77 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 121.978 0.894 . . . . 0.0 108.9 179.51 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' LYS . 1.5 t -110.2 -134.34 0.35 Allowed 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.486 0.66 . . . . 0.0 109.867 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' CYS . 8.3 ttpt -38.04 101.0 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.93 -0.481 . . . . 0.0 110.654 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.816 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.9 0.857 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 11.2 t -59.42 161.21 5.94 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.835 0.826 . . . . 0.0 110.491 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -42.19 105.27 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 121.499 0.666 . . . . 0.0 110.428 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.43 29.52 1.97 Allowed 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 122.04 0.924 . . . . 0.0 109.18 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.6 ' HD2' ' CZ2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -143.13 170.68 15.28 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.282 0.563 . . . . 0.0 110.264 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.6 ' CZ2' ' HD2' ' A' ' 5' ' ' LYS . 5.9 m0 66.03 98.38 0.04 OUTLIER Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.311 -0.868 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -71.1 -3.0 11.99 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 O-C-N 124.11 1.584 . . . . 0.0 110.757 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.461 ' O ' ' CE3' ' A' ' 8' ' ' TRP . 51.0 p-90 -119.21 44.28 2.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -0.992 . . . . 0.0 109.888 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.431 ' CE2' HD21 ' A' ' 3' ' ' LEU . 32.9 t-105 -87.98 126.21 61.9 Favored Pre-proline 0 C--N 1.301 -1.513 0 O-C-N 121.387 -0.821 . . . . 0.0 109.959 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 11' ' ' TRP . 43.4 Cg_endo -70.2 -46.45 1.04 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 O-C-N 123.915 1.482 . . . . 0.0 110.307 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.463 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 2.4 m-90 -84.53 -171.12 3.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.346 -0.846 . . . . 0.0 110.021 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.571 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -179.08 -131.09 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.224 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.571 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 5.7 ttt85 78.61 63.66 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 122.265 1.031 . . . . 0.0 109.182 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' LYS . 5.0 t -108.92 -129.61 0.29 Allowed 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.872 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' CYS . 1.0 OUTLIER -39.96 -66.5 0.3 Allowed 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.684 -0.635 . . . . 0.0 110.563 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.6 ' CG2' ' N ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 122.541 1.162 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.6 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 26.3 t -97.41 160.34 14.38 Favored 'General case' 0 C--N 1.282 -2.341 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.126 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.765 HD21 ' CE2' ' A' ' 9' ' ' TRP . 1.4 pp -137.44 136.35 37.71 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.386 0.612 . . . . 0.0 110.54 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -101.89 14.9 30.64 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 122.316 1.055 . . . . 0.0 108.662 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.593 ' HD2' ' CZ2' ' A' ' 6' ' ' TRP . 18.6 ptpt -106.7 179.78 4.17 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.432 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.68 ' CE3' HD13 ' A' ' 3' ' ' LEU . 30.5 m0 63.93 97.32 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.757 0 O-C-N 121.835 -0.541 . . . . 0.0 110.134 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 6' ' ' TRP . 43.8 Cg_endo -71.05 -0.53 8.11 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 124.221 1.643 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.428 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 48.4 p-90 -120.06 44.14 2.5 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.04 -1.038 . . . . 0.0 110.147 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.765 ' CE2' HD21 ' A' ' 3' ' ' LEU . 35.7 t-105 -89.46 121.87 68.89 Favored Pre-proline 0 C--N 1.302 -1.472 0 O-C-N 121.373 -0.829 . . . . 0.0 109.823 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -71.23 -49.34 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.943 1.496 . . . . 0.0 110.665 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.444 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.3 m-90 -78.89 -175.0 4.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.109 -0.994 . . . . 0.0 110.425 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.555 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -178.91 -140.57 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.139 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 4.3 ttt85 79.43 64.03 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 122.194 0.997 . . . . 0.0 109.428 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' LYS . 3.9 t -99.73 -132.05 0.24 Allowed 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.848 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' CYS . 12.6 tttt -39.16 101.59 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.728 -0.607 . . . . 0.0 110.51 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.856 0.836 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 12.9 t -89.86 159.62 16.89 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.792 0.806 . . . . 0.0 110.595 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' ' 3' ' ' LEU . 3.3 tm? -91.33 108.03 19.61 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.353 0.597 . . . . 0.0 110.187 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.38 25.98 4.47 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 121.967 0.889 . . . . 0.0 109.408 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.532 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 8.8 ptpt -99.36 165.99 11.41 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.144 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.532 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 18.9 m0 60.74 100.78 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.223 -0.923 . . . . 0.0 110.146 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.48 -1.84 8.94 Favored 'Trans proline' 0 C--N 1.302 -1.881 0 O-C-N 124.246 1.656 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.445 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 41.4 p-90 -120.66 41.53 3.24 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.053 -1.029 . . . . 0.0 110.073 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -94.7 119.59 65.95 Favored Pre-proline 0 C--N 1.303 -1.431 0 O-C-N 121.44 -0.788 . . . . 0.0 109.97 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.55 -45.98 0.51 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.847 1.446 . . . . 0.0 110.915 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -81.0 -174.18 4.7 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.15 -0.969 . . . . 0.0 110.464 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 15.9 ptt-85 -170.33 -174.44 1.69 Allowed 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.167 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 161.79 71.07 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 121.892 0.854 . . . . 0.0 109.089 179.454 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 15' ' ' LYS . 2.9 t -99.93 -132.71 0.26 Allowed 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.555 0.693 . . . . 0.0 109.786 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' CYS . 5.3 tptt -38.51 128.25 1.45 Allowed 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.864 -0.523 . . . . 0.0 110.679 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.952 -1.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.945 HD12 ' N ' ' A' ' 2' ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 122.287 1.041 . . . . 0.0 110.366 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.945 ' N ' HD12 ' A' ' 1' ' ' ILE . 20.2 t -57.12 161.04 3.34 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-O 121.766 0.793 . . . . 0.0 110.554 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.791 HD11 ' CZ3' ' A' ' 6' ' ' TRP . 12.4 tp -57.03 -127.91 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.928 -0.483 . . . . 0.0 111.356 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.597 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.6 tttt 82.32 22.77 0.23 Allowed 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 122.341 1.067 . . . . 0.0 108.443 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.587 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 1.0 OUTLIER -121.57 178.73 4.71 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.27 179.213 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.791 ' CZ3' HD11 ' A' ' 3' ' ' LEU . 12.7 m0 66.03 102.87 0.03 OUTLIER Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.37 -0.831 . . . . 0.0 109.667 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 6' ' ' TRP . 42.7 Cg_endo -67.87 -4.2 11.91 Favored 'Trans proline' 0 C--N 1.302 -1.904 0 O-C-N 124.117 1.588 . . . . 0.0 110.987 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.438 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 30.3 p-90 -125.95 40.55 3.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.06 -1.025 . . . . 0.0 110.118 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.681 ' NE1' HD21 ' A' ' 3' ' ' LEU . 9.6 t-105 -97.61 126.82 39.79 Favored Pre-proline 0 C--N 1.302 -1.48 0 O-C-N 121.325 -0.859 . . . . 0.0 110.064 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.486 ' HD2' ' CE3' ' A' ' 9' ' ' TRP . 44.9 Cg_endo -72.44 -40.6 2.13 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.963 1.507 . . . . 0.0 110.734 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.477 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 1.3 m-90 -98.1 -174.75 2.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.166 -0.959 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -179.51 -105.45 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.847 -0.533 . . . . 0.0 110.321 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 77.63 62.5 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 122.241 1.02 . . . . 0.0 109.251 -179.445 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 4' ' ' LYS . 3.6 t -120.07 -134.07 0.31 Allowed 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.67 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.95 -63.27 0.89 Allowed 'General case' 0 C--N 1.292 -1.924 0 O-C-N 121.576 -0.703 . . . . 0.0 110.257 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 119.928 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.613 ' CG2' ' N ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 122.574 1.178 . . . . 0.0 110.34 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.613 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 19.6 t -61.98 158.7 15.75 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.608 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.501 HD23 ' HA ' ' A' ' 3' ' ' LEU . 1.9 mt -66.74 121.62 15.83 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.531 0.682 . . . . 0.0 110.528 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.66 24.52 7.15 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 122.137 0.97 . . . . 0.0 108.815 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.516 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 8.6 ptpp? -132.31 169.34 16.62 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.261 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.516 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 11.5 m0 63.61 92.77 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.467 -0.771 . . . . 0.0 110.272 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.02 -5.37 17.08 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.194 1.628 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.484 ' O ' ' CE3' ' A' ' 8' ' ' TRP . 54.8 p-90 -119.16 44.68 2.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.03 -1.044 . . . . 0.0 110.074 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -86.38 123.19 71.67 Favored Pre-proline 0 C--N 1.301 -1.503 0 O-C-N 121.209 -0.932 . . . . 0.0 109.991 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.52 -52.57 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.627 0 O-C-N 123.934 1.492 . . . . 0.0 110.584 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -76.66 -173.44 2.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.275 -0.891 . . . . 0.0 110.07 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.53 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -171.99 175.78 3.73 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.791 -0.568 . . . . 0.0 110.198 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.537 ' CG ' ' O ' ' A' ' 13' ' ' ARG . 6.9 ttp-105 163.82 70.01 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 122.13 0.966 . . . . 0.0 109.255 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 16' ' ' NH2 . 2.2 t -111.28 -132.67 0.33 Allowed 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 121.368 0.604 . . . . 0.0 109.441 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' CYS . 2.3 tttm -38.22 92.68 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.748 -0.595 . . . . 0.0 110.469 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' NH2 . . . . . 0.508 ' N ' ' O ' ' A' ' 14' ' ' CYS . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.813 -1.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 29.0 t . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.874 0.845 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.785 ' C ' HD13 ' A' ' 3' ' ' LEU . 3.3 tm? -69.41 110.23 4.6 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.462 0.648 . . . . 0.0 110.23 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.07 27.12 3.88 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 122.036 0.922 . . . . 0.0 109.176 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.595 ' HG3' ' CE2' ' A' ' 6' ' ' TRP . 0.7 OUTLIER -117.49 171.86 7.72 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.364 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.595 ' CE2' ' HG3' ' A' ' 5' ' ' LYS . 20.1 m0 61.35 100.14 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 6' ' ' TRP . 43.2 Cg_endo -69.43 -2.88 10.71 Favored 'Trans proline' 0 C--N 1.303 -1.854 0 O-C-N 124.265 1.666 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.43 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 49.2 p-90 -123.86 44.04 2.82 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.046 -1.034 . . . . 0.0 110.088 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.585 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 27.9 t-105 -89.18 134.96 32.06 Favored Pre-proline 0 C--N 1.302 -1.464 0 O-C-N 121.352 -0.843 . . . . 0.0 110.051 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.585 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.3 Cg_endo -71.59 -58.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 O-C-N 123.895 1.471 . . . . 0.0 110.631 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.448 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.6 m-90 -80.49 -173.71 4.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.205 -0.934 . . . . 0.0 110.067 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.545 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 177.06 -111.59 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.868 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.281 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.545 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 4.6 mtp180 76.32 62.62 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.321 1.058 . . . . 0.0 108.957 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' LYS . 2.7 t -106.75 -133.24 0.33 Allowed 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.898 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.294 -1.842 0 O-C-N 121.793 -0.567 . . . . 0.0 110.578 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 122.092 0.949 . . . . 0.0 110.529 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.68 113.14 2.31 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.701 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 4.4 tttt -126.79 23.24 6.71 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.99 0.9 . . . . 0.0 109.272 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.598 ' HD2' ' CE2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -103.44 170.4 7.97 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.46 -179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.598 ' CE2' ' HD2' ' A' ' 5' ' ' LYS . 36.2 m0 59.44 93.49 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.396 -0.815 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -73.24 -10.21 23.98 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 124.064 1.56 . . . . 0.0 110.985 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.517 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 56.9 p-90 -121.08 43.93 2.66 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.99 -1.069 . . . . 0.0 110.069 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 11' ' ' TRP . 9.8 t-105 -81.88 123.24 80.3 Favored Pre-proline 0 C--N 1.302 -1.484 0 O-C-N 121.205 -0.934 . . . . 0.0 110.037 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.502 ' HD2' ' CE3' ' A' ' 9' ' ' TRP . 42.3 Cg_endo -69.54 -38.0 8.89 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 O-C-N 123.863 1.454 . . . . 0.0 109.93 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.583 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 2.3 m-90 -100.15 -171.7 2.08 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.308 -0.87 . . . . 0.0 109.822 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.638 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 37.93 -168.5 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.523 -179.725 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.638 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 148.07 73.58 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -179.611 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -99.18 -137.14 0.3 Allowed 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.691 0.757 . . . . 0.0 110.126 -179.41 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' CYS . 17.6 tttt . . . . . 0 C--N 1.289 -2.04 0 O-C-N 121.765 -0.585 . . . . 0.0 110.361 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 13.8 t . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.775 0.797 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.586 HD21 ' CZ3' ' A' ' 6' ' ' TRP . 2.1 mt -71.78 117.2 13.07 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.501 0.667 . . . . 0.0 110.642 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.92 26.21 5.25 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 122.151 0.977 . . . . 0.0 108.751 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.553 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 1.3 ptpm? -128.37 178.52 6.22 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.442 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.586 ' CZ3' HD21 ' A' ' 3' ' ' LEU . 15.5 m0 65.09 95.86 0.05 OUTLIER Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.599 -0.688 . . . . 0.0 110.314 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -71.45 -3.12 12.38 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 O-C-N 124.233 1.649 . . . . 0.0 111.094 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.494 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 53.5 p-90 -122.96 45.17 2.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.962 -1.086 . . . . 0.0 110.161 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.529 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 38.0 t-105 -86.77 135.24 35.91 Favored Pre-proline 0 C--N 1.303 -1.442 0 O-C-N 121.314 -0.866 . . . . 0.0 110.109 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.529 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.6 Cg_endo -72.95 -62.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 O-C-N 123.99 1.521 . . . . 0.0 110.755 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.472 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 1.6 m0 -74.55 -173.31 1.74 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.277 -0.89 . . . . 0.0 110.185 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.541 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.9 OUTLIER 173.67 158.44 0.14 Allowed 'General case' 0 C--N 1.294 -1.847 0 O-C-N 121.837 -0.539 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.541 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 162.12 70.5 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 121.969 0.89 . . . . 0.0 108.947 179.48 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' LYS . 1.8 t -111.55 -134.12 0.35 Allowed 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.508 0.67 . . . . 0.0 109.85 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' CYS . 41.6 tttt . . . . . 0 C--N 1.295 -1.803 0 O-C-N 121.78 -0.575 . . . . 0.0 110.585 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.434 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 23.0 t . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.745 0.783 . . . . 0.0 110.57 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.789 ' C ' HD13 ' A' ' 3' ' ' LEU . 3.1 tm? -62.19 105.95 0.67 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 121.461 0.648 . . . . 0.0 110.249 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -135.87 28.32 3.22 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.947 0.88 . . . . 0.0 109.19 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.567 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 1.2 ptpp? -132.9 175.9 8.95 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.359 0.6 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.567 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 9.2 m0 65.75 98.46 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.484 -0.76 . . . . 0.0 110.22 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.87 -1.2 9.02 Favored 'Trans proline' 0 C--N 1.303 -1.835 0 O-C-N 124.185 1.624 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.429 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 48.2 p-90 -120.32 43.99 2.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.056 -1.027 . . . . 0.0 110.14 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -90.9 127.71 50.86 Favored Pre-proline 0 C--N 1.303 -1.443 0 O-C-N 121.332 -0.855 . . . . 0.0 109.949 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.65 -57.08 0.08 OUTLIER 'Trans proline' 0 C--N 1.307 -1.649 0 O-C-N 123.879 1.463 . . . . 0.0 110.904 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.419 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.5 m-90 -73.46 -173.95 1.55 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.182 -0.949 . . . . 0.0 110.53 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 2.9 ptm180 -177.25 157.07 1.3 Allowed 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.136 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.539 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 162.9 69.83 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.807 0.813 . . . . 0.0 109.471 179.511 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' LYS . 1.7 t -116.55 -134.71 0.34 Allowed 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.489 0.661 . . . . 0.0 109.866 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.293 -1.862 0 O-C-N 121.804 -0.56 . . . . 0.0 110.62 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 18.2 t . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.812 0.815 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.806 HD11 ' CZ3' ' A' ' 6' ' ' TRP . 3.1 tp -62.91 114.43 3.66 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.463 0.649 . . . . 0.0 110.528 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.22 26.77 4.84 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 122.162 0.982 . . . . 0.0 108.882 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.605 ' HG2' ' CD2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -135.33 -179.25 5.52 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.421 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.806 ' CZ3' HD11 ' A' ' 3' ' ' LEU . 9.8 m0 67.59 94.77 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 121.637 -0.665 . . . . 0.0 110.252 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 6' ' ' TRP . 44.2 Cg_endo -71.69 -5.31 16.79 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 O-C-N 124.16 1.611 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.492 ' O ' ' CE3' ' A' ' 8' ' ' TRP . 54.8 p-90 -122.59 44.64 2.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.973 -1.08 . . . . 0.0 110.111 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.481 ' CD1' ' O ' ' A' ' 11' ' ' TRP . 13.0 t-105 -85.86 126.08 66.86 Favored Pre-proline 0 C--N 1.302 -1.459 0 O-C-N 121.195 -0.94 . . . . 0.0 109.994 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.443 ' HD2' ' CE3' ' A' ' 9' ' ' TRP . 44.5 Cg_endo -71.38 -42.77 1.74 Allowed 'Trans proline' 0 C--N 1.307 -1.622 0 O-C-N 123.838 1.441 . . . . 0.0 110.608 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.521 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 1.6 m-90 -94.98 -172.87 2.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.266 -0.896 . . . . 0.0 110.02 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 172.29 167.75 0.11 Allowed 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.371 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 161.71 70.77 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 121.978 0.894 . . . . 0.0 108.9 179.51 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' LYS . 1.5 t -110.2 -134.34 0.35 Allowed 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.486 0.66 . . . . 0.0 109.867 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' CYS . 8.3 ttpt . . . . . 0 C--N 1.295 -1.783 0 O-C-N 121.93 -0.481 . . . . 0.0 110.654 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 11.2 t . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.835 0.826 . . . . 0.0 110.491 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -42.19 105.27 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 121.499 0.666 . . . . 0.0 110.428 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.43 29.52 1.97 Allowed 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 122.04 0.924 . . . . 0.0 109.18 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.6 ' HD2' ' CZ2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -143.13 170.68 15.28 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.282 0.563 . . . . 0.0 110.264 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.6 ' CZ2' ' HD2' ' A' ' 5' ' ' LYS . 5.9 m0 66.03 98.38 0.04 OUTLIER Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.311 -0.868 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -71.1 -3.0 11.99 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 O-C-N 124.11 1.584 . . . . 0.0 110.757 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.461 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 51.0 p-90 -119.21 44.28 2.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -0.992 . . . . 0.0 109.888 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.431 ' CE2' HD21 ' A' ' 3' ' ' LEU . 32.9 t-105 -87.98 126.21 61.9 Favored Pre-proline 0 C--N 1.301 -1.513 0 O-C-N 121.387 -0.821 . . . . 0.0 109.959 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 11' ' ' TRP . 43.4 Cg_endo -70.2 -46.45 1.04 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 O-C-N 123.915 1.482 . . . . 0.0 110.307 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.463 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 2.4 m-90 -84.53 -171.12 3.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.346 -0.846 . . . . 0.0 110.021 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.571 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -179.08 -131.09 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.224 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.571 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 5.7 ttt85 78.61 63.66 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 122.265 1.031 . . . . 0.0 109.182 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' LYS . 5.0 t -108.92 -129.61 0.29 Allowed 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.872 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.295 -1.798 0 O-C-N 121.684 -0.635 . . . . 0.0 110.563 -179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.446 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 26.3 t . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.796 0.808 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.765 HD21 ' CE2' ' A' ' 9' ' ' TRP . 1.4 pp -137.44 136.35 37.71 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.386 0.612 . . . . 0.0 110.54 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -101.89 14.9 30.64 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 122.316 1.055 . . . . 0.0 108.662 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.593 ' HD2' ' CZ2' ' A' ' 6' ' ' TRP . 18.6 ptpt -106.7 179.78 4.17 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.432 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.68 ' CE3' HD13 ' A' ' 3' ' ' LEU . 30.5 m0 63.93 97.32 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.757 0 O-C-N 121.835 -0.541 . . . . 0.0 110.134 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 6' ' ' TRP . 43.8 Cg_endo -71.05 -0.53 8.11 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 124.221 1.643 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.428 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 48.4 p-90 -120.06 44.14 2.5 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.04 -1.038 . . . . 0.0 110.147 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.765 ' CE2' HD21 ' A' ' 3' ' ' LEU . 35.7 t-105 -89.46 121.87 68.89 Favored Pre-proline 0 C--N 1.302 -1.472 0 O-C-N 121.373 -0.829 . . . . 0.0 109.823 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -71.23 -49.34 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.943 1.496 . . . . 0.0 110.665 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.444 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.3 m-90 -78.89 -175.0 4.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.109 -0.994 . . . . 0.0 110.425 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.555 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -178.91 -140.57 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.139 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 4.3 ttt85 79.43 64.03 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 122.194 0.997 . . . . 0.0 109.428 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' LYS . 3.9 t -99.73 -132.05 0.24 Allowed 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.848 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' CYS . 12.6 tttt . . . . . 0 C--N 1.295 -1.799 0 O-C-N 121.728 -0.607 . . . . 0.0 110.51 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 12.9 t . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.792 0.806 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.747 ' C ' HD13 ' A' ' 3' ' ' LEU . 3.3 tm? -91.33 108.03 19.61 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.353 0.597 . . . . 0.0 110.187 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.38 25.98 4.47 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 121.967 0.889 . . . . 0.0 109.408 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.532 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 8.8 ptpt -99.36 165.99 11.41 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.144 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.532 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 18.9 m0 60.74 100.78 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.223 -0.923 . . . . 0.0 110.146 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.48 -1.84 8.94 Favored 'Trans proline' 0 C--N 1.302 -1.881 0 O-C-N 124.246 1.656 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.445 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 41.4 p-90 -120.66 41.53 3.24 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.053 -1.029 . . . . 0.0 110.073 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -94.7 119.59 65.95 Favored Pre-proline 0 C--N 1.303 -1.431 0 O-C-N 121.44 -0.788 . . . . 0.0 109.97 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.55 -45.98 0.51 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.847 1.446 . . . . 0.0 110.915 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -81.0 -174.18 4.7 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.15 -0.969 . . . . 0.0 110.464 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 15.9 ptt-85 -170.33 -174.44 1.69 Allowed 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.167 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 161.79 71.07 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 121.892 0.854 . . . . 0.0 109.089 179.454 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 15' ' ' LYS . 2.9 t -99.93 -132.71 0.26 Allowed 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.555 0.693 . . . . 0.0 109.786 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' CYS . 5.3 tptt . . . . . 0 C--N 1.295 -1.798 0 O-C-N 121.864 -0.523 . . . . 0.0 110.679 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.474 ' O ' ' O ' ' A' ' 3' ' ' LEU . 20.2 t . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.766 0.793 . . . . 0.0 110.554 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.791 HD11 ' CZ3' ' A' ' 6' ' ' TRP . 12.4 tp -57.03 -127.91 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.928 -0.483 . . . . 0.0 111.356 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.597 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.6 tttt 82.32 22.77 0.23 Allowed 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 122.341 1.067 . . . . 0.0 108.443 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.587 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 1.0 OUTLIER -121.57 178.73 4.71 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.27 179.213 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.791 ' CZ3' HD11 ' A' ' 3' ' ' LEU . 12.7 m0 66.03 102.87 0.03 OUTLIER Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.37 -0.831 . . . . 0.0 109.667 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 6' ' ' TRP . 42.7 Cg_endo -67.87 -4.2 11.91 Favored 'Trans proline' 0 C--N 1.302 -1.904 0 O-C-N 124.117 1.588 . . . . 0.0 110.987 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.438 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 30.3 p-90 -125.95 40.55 3.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.06 -1.025 . . . . 0.0 110.118 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.681 ' NE1' HD21 ' A' ' 3' ' ' LEU . 9.6 t-105 -97.61 126.82 39.79 Favored Pre-proline 0 C--N 1.302 -1.48 0 O-C-N 121.325 -0.859 . . . . 0.0 110.064 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.486 ' HD2' ' CE3' ' A' ' 9' ' ' TRP . 44.9 Cg_endo -72.44 -40.6 2.13 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.963 1.507 . . . . 0.0 110.734 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.477 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 1.3 m-90 -98.1 -174.75 2.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.166 -0.959 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -179.51 -105.45 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.847 -0.533 . . . . 0.0 110.321 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 77.63 62.5 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 122.241 1.02 . . . . 0.0 109.251 -179.445 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 4' ' ' LYS . 3.6 t -120.07 -134.07 0.31 Allowed 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.67 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.292 -1.924 0 O-C-N 121.576 -0.703 . . . . 0.0 110.257 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 19.6 t . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.867 0.841 . . . . 0.0 110.608 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.501 ' HA ' HD23 ' A' ' 3' ' ' LEU . 1.9 mt -66.74 121.62 15.83 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.531 0.682 . . . . 0.0 110.528 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.66 24.52 7.15 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 122.137 0.97 . . . . 0.0 108.815 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.516 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 8.6 ptpp? -132.31 169.34 16.62 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.261 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.516 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 11.5 m0 63.61 92.77 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.467 -0.771 . . . . 0.0 110.272 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.02 -5.37 17.08 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.194 1.628 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.484 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 54.8 p-90 -119.16 44.68 2.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.03 -1.044 . . . . 0.0 110.074 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -86.38 123.19 71.67 Favored Pre-proline 0 C--N 1.301 -1.503 0 O-C-N 121.209 -0.932 . . . . 0.0 109.991 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.52 -52.57 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.627 0 O-C-N 123.934 1.492 . . . . 0.0 110.584 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -76.66 -173.44 2.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.275 -0.891 . . . . 0.0 110.07 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.53 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -171.99 175.78 3.73 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.791 -0.568 . . . . 0.0 110.198 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.537 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 6.9 ttp-105 163.82 70.01 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 122.13 0.966 . . . . 0.0 109.255 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 15' ' ' LYS . 2.2 t -111.28 -132.67 0.33 Allowed 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 121.368 0.604 . . . . 0.0 109.441 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' CYS . 2.3 tttm . . . . . 0 C--N 1.295 -1.795 0 O-C-N 121.748 -0.595 . . . . 0.0 110.469 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.845 HD12 ' H ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 122.199 0.999 . . . . 0.0 110.087 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.845 ' H ' HD12 ' A' ' 1' ' ' ILE . 29.0 t -92.55 159.9 15.28 Favored 'General case' 0 C--N 1.289 -2.034 0 CA-C-O 121.874 0.845 . . . . 0.0 110.59 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.785 ' C ' HD13 ' A' ' 3' ' ' LEU . 3.3 tm? -69.41 110.23 4.6 Favored 'General case' 0 C--N 1.298 -1.632 0 CA-C-O 121.462 0.648 . . . . 0.0 110.23 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.07 27.12 3.88 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 122.036 0.922 . . . . 0.0 109.176 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.595 ' HG3' ' CE2' ' A' ' 6' ' ' TRP . 0.7 OUTLIER -117.49 171.86 7.72 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.364 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.595 ' CE2' ' HG3' ' A' ' 5' ' ' LYS . 20.1 m0 61.35 100.14 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.537 0 O-C-N 121.35 -0.844 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 6' ' ' TRP . 43.2 Cg_endo -69.43 -2.88 10.71 Favored 'Trans proline' 0 C--N 1.303 -1.854 0 O-C-N 124.265 1.666 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.43 ' O ' ' CE3' ' A' ' 8' ' ' TRP . 49.2 p-90 -123.86 44.04 2.82 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.046 -1.034 . . . . 0.0 110.088 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.585 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 27.9 t-105 -89.18 134.96 32.06 Favored Pre-proline 0 C--N 1.302 -1.464 0 O-C-N 121.352 -0.843 . . . . 0.0 110.051 -179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.585 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.3 Cg_endo -71.59 -58.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.719 0 O-C-N 123.895 1.471 . . . . 0.0 110.631 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.448 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.6 m-90 -80.49 -173.71 4.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.205 -0.934 . . . . 0.0 110.067 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.545 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 177.06 -111.59 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.868 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.281 -179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.545 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 4.6 mtp180 76.32 62.62 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.321 1.058 . . . . 0.0 108.957 -179.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' LYS . 2.7 t -106.75 -133.24 0.33 Allowed 'General case' 0 C--N 1.294 -1.839 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.898 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' CYS . 0.0 OUTLIER -38.71 -44.81 1.04 Allowed 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.793 -0.567 . . . . 0.0 110.578 -179.713 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.306 0 O-C-N 119.845 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.834 0.826 . . . . 0.0 110.55 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.6 170.74 11.03 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-O 122.092 0.949 . . . . 0.0 110.529 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.68 113.14 2.31 Favored 'General case' 0 C--N 1.289 -2.026 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.701 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 15' ' ' LYS . 4.4 tttt -126.79 23.24 6.71 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 121.99 0.9 . . . . 0.0 109.272 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.598 ' HD2' ' CE2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -103.44 170.4 7.97 Favored 'General case' 0 C--N 1.292 -1.895 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.46 -179.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.598 ' CE2' ' HD2' ' A' ' 5' ' ' LYS . 36.2 m0 59.44 93.49 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.396 -0.815 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -73.24 -10.21 23.98 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 O-C-N 124.064 1.56 . . . . 0.0 110.985 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.517 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 56.9 p-90 -121.08 43.93 2.66 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.99 -1.069 . . . . 0.0 110.069 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 11' ' ' TRP . 9.8 t-105 -81.88 123.24 80.3 Favored Pre-proline 0 C--N 1.302 -1.484 0 O-C-N 121.205 -0.934 . . . . 0.0 110.037 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.502 ' HD2' ' CE3' ' A' ' 9' ' ' TRP . 42.3 Cg_endo -69.54 -38.0 8.89 Favored 'Trans proline' 0 C--N 1.308 -1.59 0 O-C-N 123.863 1.454 . . . . 0.0 109.93 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.583 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 2.3 m-90 -100.15 -171.7 2.08 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.308 -0.87 . . . . 0.0 109.822 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.638 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 37.93 -168.5 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.523 -179.725 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.638 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 148.07 73.58 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -179.611 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -99.18 -137.14 0.3 Allowed 'General case' 0 C--N 1.296 -1.739 0 CA-C-O 121.691 0.757 . . . . 0.0 110.126 -179.41 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' CYS . 17.6 tttt -41.83 103.79 0.03 OUTLIER 'General case' 0 C--N 1.289 -2.04 0 O-C-N 121.765 -0.585 . . . . 0.0 110.361 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.829 -1.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.916 0.865 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 13.8 t -78.8 159.62 27.77 Favored 'General case' 0 C--N 1.297 -1.717 0 CA-C-O 121.775 0.797 . . . . 0.0 110.445 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.586 HD21 ' CZ3' ' A' ' 6' ' ' TRP . 2.1 mt -71.78 117.2 13.07 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.501 0.667 . . . . 0.0 110.642 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.92 26.21 5.25 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-O 122.151 0.977 . . . . 0.0 108.751 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.553 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 1.3 ptpm? -128.37 178.52 6.22 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.442 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.586 ' CZ3' HD21 ' A' ' 3' ' ' LEU . 15.5 m0 65.09 95.86 0.05 OUTLIER Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.599 -0.688 . . . . 0.0 110.314 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -71.45 -3.12 12.38 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 O-C-N 124.233 1.649 . . . . 0.0 111.094 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.494 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 53.5 p-90 -122.96 45.17 2.47 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.962 -1.086 . . . . 0.0 110.161 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.529 ' CD2' ' HD2' ' A' ' 10' ' ' PRO . 38.0 t-105 -86.77 135.24 35.91 Favored Pre-proline 0 C--N 1.303 -1.442 0 O-C-N 121.314 -0.866 . . . . 0.0 110.109 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.529 ' HD2' ' CD2' ' A' ' 9' ' ' TRP . 44.6 Cg_endo -72.95 -62.08 0.04 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 O-C-N 123.99 1.521 . . . . 0.0 110.755 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.472 ' O ' ' HB2' ' A' ' 12' ' ' ARG . 1.6 m0 -74.55 -173.31 1.74 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.277 -0.89 . . . . 0.0 110.185 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.541 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.9 OUTLIER 173.67 158.44 0.14 Allowed 'General case' 0 C--N 1.294 -1.847 0 O-C-N 121.837 -0.539 . . . . 0.0 110.264 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.541 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 162.12 70.5 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 CA-C-O 121.969 0.89 . . . . 0.0 108.947 179.48 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 15' ' ' LYS . 1.8 t -111.55 -134.12 0.35 Allowed 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.508 0.67 . . . . 0.0 109.85 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' CYS . 41.6 tttt -39.13 104.47 0.03 OUTLIER 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.78 -0.575 . . . . 0.0 110.585 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.812 -1.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.852 HD12 ' H ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 122.21 1.005 . . . . 0.0 110.096 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.852 ' H ' HD12 ' A' ' 1' ' ' ILE . 23.0 t -88.84 160.22 17.34 Favored 'General case' 0 C--N 1.29 -1.996 0 CA-C-O 121.745 0.783 . . . . 0.0 110.57 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.789 ' C ' HD13 ' A' ' 3' ' ' LEU . 3.1 tm? -62.19 105.95 0.67 Allowed 'General case' 0 C--N 1.298 -1.657 0 CA-C-O 121.461 0.648 . . . . 0.0 110.249 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -135.87 28.32 3.22 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-O 121.947 0.88 . . . . 0.0 109.19 179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.567 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 1.2 ptpp? -132.9 175.9 8.95 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 121.359 0.6 . . . . 0.0 110.373 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.567 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 9.2 m0 65.75 98.46 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.738 0 O-C-N 121.484 -0.76 . . . . 0.0 110.22 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.87 -1.2 9.02 Favored 'Trans proline' 0 C--N 1.303 -1.835 0 O-C-N 124.185 1.624 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.429 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 48.2 p-90 -120.32 43.99 2.57 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.056 -1.027 . . . . 0.0 110.14 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 44.0 t-105 -90.9 127.71 50.86 Favored Pre-proline 0 C--N 1.303 -1.443 0 O-C-N 121.332 -0.855 . . . . 0.0 109.949 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -72.65 -57.08 0.08 OUTLIER 'Trans proline' 0 C--N 1.307 -1.649 0 O-C-N 123.879 1.463 . . . . 0.0 110.904 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.419 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.5 m-90 -73.46 -173.95 1.55 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.182 -0.949 . . . . 0.0 110.53 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 2.9 ptm180 -177.25 157.07 1.3 Allowed 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.136 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.539 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 162.9 69.83 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 121.807 0.813 . . . . 0.0 109.471 179.511 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' LYS . 1.7 t -116.55 -134.71 0.34 Allowed 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.489 0.661 . . . . 0.0 109.866 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' CYS . 0.2 OUTLIER -38.96 119.02 0.83 Allowed 'General case' 0 C--N 1.293 -1.862 0 O-C-N 121.804 -0.56 . . . . 0.0 110.62 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.888 -1.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.607 ' CG2' ' N ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 122.548 1.166 . . . . 0.0 110.278 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.607 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 18.2 t -56.27 159.63 3.43 Favored 'General case' 0 C--N 1.281 -2.374 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.543 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.806 HD11 ' CZ3' ' A' ' 6' ' ' TRP . 3.1 tp -62.91 114.43 3.66 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-O 121.463 0.649 . . . . 0.0 110.528 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.22 26.77 4.84 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 122.162 0.982 . . . . 0.0 108.882 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.605 ' HG2' ' CD2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -135.33 -179.25 5.52 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.421 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.806 ' CZ3' HD11 ' A' ' 3' ' ' LEU . 9.8 m0 67.59 94.77 0.05 OUTLIER Pre-proline 0 N--CA 1.493 1.711 0 O-C-N 121.637 -0.665 . . . . 0.0 110.252 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 6' ' ' TRP . 44.2 Cg_endo -71.69 -5.31 16.79 Favored 'Trans proline' 0 C--N 1.303 -1.818 0 O-C-N 124.16 1.611 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.492 ' O ' ' CE3' ' A' ' 8' ' ' TRP . 54.8 p-90 -122.59 44.64 2.58 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.973 -1.08 . . . . 0.0 110.111 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.481 ' CD1' ' O ' ' A' ' 11' ' ' TRP . 13.0 t-105 -85.86 126.08 66.86 Favored Pre-proline 0 C--N 1.302 -1.459 0 O-C-N 121.195 -0.94 . . . . 0.0 109.994 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.443 ' HD2' ' CE3' ' A' ' 9' ' ' TRP . 44.5 Cg_endo -71.38 -42.77 1.74 Allowed 'Trans proline' 0 C--N 1.307 -1.622 0 O-C-N 123.838 1.441 . . . . 0.0 110.608 -179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.521 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 1.6 m-90 -94.98 -172.87 2.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.266 -0.896 . . . . 0.0 110.02 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 172.29 167.75 0.11 Allowed 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 120.25 -0.58 . . . . 0.0 110.371 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 161.71 70.77 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.342 0 CA-C-O 121.978 0.894 . . . . 0.0 108.9 179.51 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.445 ' O ' ' C ' ' A' ' 15' ' ' LYS . 1.5 t -110.2 -134.34 0.35 Allowed 'General case' 0 C--N 1.297 -1.675 0 CA-C-O 121.486 0.66 . . . . 0.0 109.867 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' CYS . 8.3 ttpt -38.04 101.0 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.93 -0.481 . . . . 0.0 110.654 -179.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 119.816 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.9 0.857 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 11.2 t -59.42 161.21 5.94 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.835 0.826 . . . . 0.0 110.491 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER -42.19 105.27 0.04 OUTLIER 'General case' 0 C--N 1.298 -1.651 0 CA-C-O 121.499 0.666 . . . . 0.0 110.428 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.43 29.52 1.97 Allowed 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 122.04 0.924 . . . . 0.0 109.18 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.6 ' HD2' ' CZ2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -143.13 170.68 15.28 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.282 0.563 . . . . 0.0 110.264 179.833 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.6 ' CZ2' ' HD2' ' A' ' 5' ' ' LYS . 5.9 m0 66.03 98.38 0.04 OUTLIER Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.311 -0.868 . . . . 0.0 110.18 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -71.1 -3.0 11.99 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 O-C-N 124.11 1.584 . . . . 0.0 110.757 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.461 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 51.0 p-90 -119.21 44.28 2.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.113 -0.992 . . . . 0.0 109.888 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.431 ' CE2' HD21 ' A' ' 3' ' ' LEU . 32.9 t-105 -87.98 126.21 61.9 Favored Pre-proline 0 C--N 1.301 -1.513 0 O-C-N 121.387 -0.821 . . . . 0.0 109.959 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.462 ' HG2' ' CD2' ' A' ' 11' ' ' TRP . 43.4 Cg_endo -70.2 -46.45 1.04 Allowed 'Trans proline' 0 C--N 1.306 -1.702 0 O-C-N 123.915 1.482 . . . . 0.0 110.307 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.463 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 2.4 m-90 -84.53 -171.12 3.45 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.346 -0.846 . . . . 0.0 110.021 179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.571 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -179.08 -131.09 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.951 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.224 -179.772 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.571 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 5.7 ttt85 78.61 63.66 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 CA-C-O 122.265 1.031 . . . . 0.0 109.182 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' LYS . 5.0 t -108.92 -129.61 0.29 Allowed 'General case' 0 C--N 1.294 -1.838 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.872 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' CYS . 1.0 OUTLIER -39.96 -66.5 0.3 Allowed 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.684 -0.635 . . . . 0.0 110.563 -179.597 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.6 ' CG2' ' N ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 122.541 1.162 . . . . 0.0 110.307 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.6 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 26.3 t -97.41 160.34 14.38 Favored 'General case' 0 C--N 1.282 -2.341 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.126 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.765 HD21 ' CE2' ' A' ' 9' ' ' TRP . 1.4 pp -137.44 136.35 37.71 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-O 121.386 0.612 . . . . 0.0 110.54 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -101.89 14.9 30.64 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-O 122.316 1.055 . . . . 0.0 108.662 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.593 ' HD2' ' CZ2' ' A' ' 6' ' ' TRP . 18.6 ptpt -106.7 179.78 4.17 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.432 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.68 ' CE3' HD13 ' A' ' 3' ' ' LEU . 30.5 m0 63.93 97.32 0.04 OUTLIER Pre-proline 0 N--CA 1.494 1.757 0 O-C-N 121.835 -0.541 . . . . 0.0 110.134 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.433 ' HD2' ' HA ' ' A' ' 6' ' ' TRP . 43.8 Cg_endo -71.05 -0.53 8.11 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 124.221 1.643 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.428 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 48.4 p-90 -120.06 44.14 2.5 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.04 -1.038 . . . . 0.0 110.147 179.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.765 ' CE2' HD21 ' A' ' 3' ' ' LEU . 35.7 t-105 -89.46 121.87 68.89 Favored Pre-proline 0 C--N 1.302 -1.472 0 O-C-N 121.373 -0.829 . . . . 0.0 109.823 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -71.23 -49.34 0.37 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.943 1.496 . . . . 0.0 110.665 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.444 ' O ' ' HB3' ' A' ' 12' ' ' ARG . 1.3 m-90 -78.89 -175.0 4.27 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.109 -0.994 . . . . 0.0 110.425 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.555 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -178.91 -140.57 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.762 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.139 -179.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.555 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 4.3 ttt85 79.43 64.03 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 122.194 0.997 . . . . 0.0 109.428 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 15' ' ' LYS . 3.9 t -99.73 -132.05 0.24 Allowed 'General case' 0 C--N 1.294 -1.816 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.848 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 14' ' ' CYS . 12.6 tttt -39.16 101.59 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.728 -0.607 . . . . 0.0 110.51 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.862 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.676 0 CA-C-O 121.856 0.836 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 3' ' ' LEU . 12.9 t -89.86 159.62 16.89 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 121.792 0.806 . . . . 0.0 110.595 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.747 ' C ' HD13 ' A' ' 3' ' ' LEU . 3.3 tm? -91.33 108.03 19.61 Favored 'General case' 0 C--N 1.297 -1.694 0 CA-C-O 121.353 0.597 . . . . 0.0 110.187 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.38 25.98 4.47 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 121.967 0.889 . . . . 0.0 109.408 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.532 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 8.8 ptpt -99.36 165.99 11.41 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.144 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.532 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 18.9 m0 60.74 100.78 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.548 0 O-C-N 121.223 -0.923 . . . . 0.0 110.146 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.48 -1.84 8.94 Favored 'Trans proline' 0 C--N 1.302 -1.881 0 O-C-N 124.246 1.656 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.445 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 41.4 p-90 -120.66 41.53 3.24 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.053 -1.029 . . . . 0.0 110.073 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -94.7 119.59 65.95 Favored Pre-proline 0 C--N 1.303 -1.431 0 O-C-N 121.44 -0.788 . . . . 0.0 109.97 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -72.55 -45.98 0.51 Allowed 'Trans proline' 0 C--N 1.307 -1.651 0 O-C-N 123.847 1.446 . . . . 0.0 110.915 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.4 m0 -81.0 -174.18 4.7 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.15 -0.969 . . . . 0.0 110.464 -179.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 15.9 ptt-85 -170.33 -174.44 1.69 Allowed 'General case' 0 C--N 1.295 -1.79 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.167 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 161.79 71.07 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 CA-C-O 121.892 0.854 . . . . 0.0 109.089 179.454 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.446 ' O ' ' C ' ' A' ' 15' ' ' LYS . 2.9 t -99.93 -132.71 0.26 Allowed 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.555 0.693 . . . . 0.0 109.786 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' CYS . 5.3 tptt -38.51 128.25 1.45 Allowed 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.864 -0.523 . . . . 0.0 110.679 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.952 -1.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.945 HD12 ' N ' ' A' ' 2' ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.76 0 CA-C-O 122.287 1.041 . . . . 0.0 110.366 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.945 ' N ' HD12 ' A' ' 1' ' ' ILE . 20.2 t -57.12 161.04 3.34 Favored 'General case' 0 C--N 1.289 -2.055 0 CA-C-O 121.766 0.793 . . . . 0.0 110.554 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.791 HD11 ' CZ3' ' A' ' 6' ' ' TRP . 12.4 tp -57.03 -127.91 0.0 OUTLIER 'General case' 0 C--N 1.298 -1.64 0 O-C-N 121.928 -0.483 . . . . 0.0 111.356 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.597 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 1.6 tttt 82.32 22.77 0.23 Allowed 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 122.341 1.067 . . . . 0.0 108.443 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.587 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 1.0 OUTLIER -121.57 178.73 4.71 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.27 179.213 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.791 ' CZ3' HD11 ' A' ' 3' ' ' LEU . 12.7 m0 66.03 102.87 0.03 OUTLIER Pre-proline 0 N--CA 1.491 1.609 0 O-C-N 121.37 -0.831 . . . . 0.0 109.667 -179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 6' ' ' TRP . 42.7 Cg_endo -67.87 -4.2 11.91 Favored 'Trans proline' 0 C--N 1.302 -1.904 0 O-C-N 124.117 1.588 . . . . 0.0 110.987 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.438 ' CD1' ' N ' ' A' ' 8' ' ' TRP . 30.3 p-90 -125.95 40.55 3.71 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.06 -1.025 . . . . 0.0 110.118 179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.681 ' NE1' HD21 ' A' ' 3' ' ' LEU . 9.6 t-105 -97.61 126.82 39.79 Favored Pre-proline 0 C--N 1.302 -1.48 0 O-C-N 121.325 -0.859 . . . . 0.0 110.064 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.486 ' HD2' ' CE3' ' A' ' 9' ' ' TRP . 44.9 Cg_endo -72.44 -40.6 2.13 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 O-C-N 123.963 1.507 . . . . 0.0 110.734 -179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.477 ' O ' ' CD1' ' A' ' 9' ' ' TRP . 1.3 m-90 -98.1 -174.75 2.94 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.166 -0.959 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -179.51 -105.45 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.847 -0.533 . . . . 0.0 110.321 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.549 ' CB ' ' O ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER 77.63 62.5 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 CA-C-O 122.241 1.02 . . . . 0.0 109.251 -179.445 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 4' ' ' LYS . 3.6 t -120.07 -134.07 0.31 Allowed 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.67 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.95 -63.27 0.89 Allowed 'General case' 0 C--N 1.292 -1.924 0 O-C-N 121.576 -0.703 . . . . 0.0 110.257 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.369 0 O-C-N 119.928 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.613 ' CG2' ' N ' ' A' ' 2' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 122.574 1.178 . . . . 0.0 110.34 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.613 ' N ' ' CG2' ' A' ' 1' ' ' ILE . 19.6 t -61.98 158.7 15.75 Favored 'General case' 0 C--N 1.281 -2.388 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.608 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.501 ' HA ' HD23 ' A' ' 3' ' ' LEU . 1.9 mt -66.74 121.62 15.83 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.531 0.682 . . . . 0.0 110.528 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.66 24.52 7.15 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 122.137 0.97 . . . . 0.0 108.815 179.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.516 ' HG3' ' CD2' ' A' ' 6' ' ' TRP . 8.6 ptpp? -132.31 169.34 16.62 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.261 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.516 ' CD2' ' HG3' ' A' ' 5' ' ' LYS . 11.5 m0 63.61 92.77 0.06 OUTLIER Pre-proline 0 N--CA 1.492 1.654 0 O-C-N 121.467 -0.771 . . . . 0.0 110.272 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -73.02 -5.37 17.08 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 O-C-N 124.194 1.628 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.484 ' CE3' ' O ' ' A' ' 8' ' ' TRP . 54.8 p-90 -119.16 44.68 2.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.03 -1.044 . . . . 0.0 110.074 179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 41.1 t-105 -86.38 123.19 71.67 Favored Pre-proline 0 C--N 1.301 -1.503 0 O-C-N 121.209 -0.932 . . . . 0.0 109.991 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.52 -52.57 0.26 Allowed 'Trans proline' 0 C--N 1.307 -1.627 0 O-C-N 123.934 1.492 . . . . 0.0 110.584 -179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 -76.66 -173.44 2.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.275 -0.891 . . . . 0.0 110.07 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.53 ' O ' ' CB ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -171.99 175.78 3.73 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.791 -0.568 . . . . 0.0 110.198 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.537 ' O ' ' CG ' ' A' ' 13' ' ' ARG . 6.9 ttp-105 163.82 70.01 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 122.13 0.966 . . . . 0.0 109.255 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 16' ' ' NH2 . 2.2 t -111.28 -132.67 0.33 Allowed 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 121.368 0.604 . . . . 0.0 109.441 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 14' ' ' CYS . 2.3 tttm -38.22 92.68 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.748 -0.595 . . . . 0.0 110.469 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' NH2 . . . . . 0.508 ' N ' ' O ' ' A' ' 14' ' ' CYS . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.813 -1.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_