data_2i1e_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 2i1e _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.918 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 6.9 m-85 . . . . . 0 N--CA 1.433 -1.303 0 CA-C-O 121.414 0.626 . . . . 0.0 109.49 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.841 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 91.1 Cg_endo -91.16 -63.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 123.955 3.103 . . . . 0.0 110.373 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.558 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 11.6 p-90 179.58 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.749 -1.569 . . . . 0.0 107.206 177.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.758 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 37.6 p-90 -85.79 -23.07 27.37 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 113.967 -1.47 . . . . 0.0 111.565 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.656 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -73.85 -41.67 5.67 Favored Pre-proline 0 N--CA 1.43 -1.449 0 C-N-CA 118.392 -1.323 . . . . 0.0 111.622 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.918 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 84.6 Cg_exo -38.69 -20.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.43 2.086 . . . . 0.0 109.989 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.758 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 9.0 m-85 -74.11 -59.1 2.88 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 112.545 -2.116 . . . . 0.0 111.421 177.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.594 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 19.6 mt . . . . . 0 CA--C 1.531 0.225 0 CA-C-N 113.564 -1.653 . . . . 0.0 112.477 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.961 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 37.1 m-85 . . . . . 0 N--CA 1.43 -1.425 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.703 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 2.9 Cg_endo -80.91 -69.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.04 0 C-N-CA 123.93 3.087 . . . . 0.0 109.624 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.434 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 8.7 p-90 -179.93 -43.26 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.196 -1.82 . . . . 0.0 107.578 177.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.774 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 42.1 p-90 -82.71 -25.62 32.78 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-N 114.062 -1.427 . . . . 0.0 110.818 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.714 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -71.46 -45.62 13.31 Favored Pre-proline 0 N--CA 1.432 -1.326 0 C-N-CA 118.678 -1.209 . . . . 0.0 111.856 -178.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.961 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 80.6 Cg_exo -34.75 -22.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.902 2.401 . . . . 0.0 110.072 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.774 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.3 m-85 -71.17 -61.39 1.78 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 112.268 -2.242 . . . . 0.0 111.241 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.599 ' N ' ' O ' ' A' ' 8' ' ' TRP . 29.4 mt . . . . . 0 CA--C 1.533 0.293 0 CA-C-N 113.463 -1.699 . . . . 0.0 112.992 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 1.006 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 37.5 m-85 . . . . . 0 N--CA 1.425 -1.717 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.623 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 4.7 Cg_exo -81.7 -69.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 124.353 3.368 . . . . 0.0 109.753 179.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.421 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 14.1 p-90 179.63 -43.03 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 113.111 -1.859 . . . . 0.0 107.88 177.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.76 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 41.1 p-90 -82.37 -24.97 34.21 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.625 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.692 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -71.57 -47.6 12.63 Favored Pre-proline 0 N--CA 1.433 -1.317 0 C-N-CA 118.973 -1.091 . . . . 0.0 111.998 -178.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 1.006 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 79.7 Cg_exo -33.69 -24.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.96 2.44 . . . . 0.0 109.975 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.76 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 4.3 m-85 -67.88 -64.58 0.83 Allowed 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 112.05 -2.341 . . . . 0.0 110.974 176.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.6 ' N ' ' O ' ' A' ' 8' ' ' TRP . 18.1 mt . . . . . 0 CA--C 1.53 0.193 0 CA-C-N 113.186 -1.825 . . . . 0.0 112.596 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.909 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 64.7 m-85 . . . . . 0 N--CA 1.43 -1.451 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.674 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 6.3 Cg_exo -79.48 -70.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.145 0 C-N-CA 124.0 3.133 . . . . 0.0 109.553 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.403 ' CE3' ' N ' ' A' ' 7' ' ' TRP . 12.9 p-90 179.92 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.036 -1.893 . . . . 0.0 107.417 177.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.762 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 41.3 p-90 -86.59 -22.24 26.37 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.006 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.681 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -73.65 -44.39 7.06 Favored Pre-proline 0 N--CA 1.436 -1.173 0 C-N-CA 118.624 -1.23 . . . . 0.0 112.225 -177.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.909 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 91.7 Cg_exo -37.47 -20.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.568 2.178 . . . . 0.0 109.924 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.762 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 6.2 m-85 -74.31 -61.8 1.74 Allowed 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 112.136 -2.302 . . . . 0.0 111.595 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 8' ' ' TRP . 47.3 mt . . . . . 0 N--CA 1.463 0.202 0 CA-C-N 113.68 -1.6 . . . . 0.0 113.351 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.948 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 20.9 m-85 . . . . . 0 N--CA 1.433 -1.309 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.771 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 82.2 Cg_endo -91.8 -64.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.057 3.171 . . . . 0.0 110.234 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.553 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 16.9 p-90 179.35 -39.59 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 113.6 -1.636 . . . . 0.0 107.417 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.753 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 36.1 p-90 -86.5 -21.17 27.12 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-N 113.948 -1.478 . . . . 0.0 111.648 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.644 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -75.49 -43.04 4.15 Favored Pre-proline 0 N--CA 1.432 -1.346 0 C-N-CA 118.305 -1.358 . . . . 0.0 111.883 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.948 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 86.6 Cg_exo -38.95 -20.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.508 2.139 . . . . 0.0 110.083 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.753 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.2 m-85 -72.05 -58.69 3.22 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 112.382 -2.19 . . . . 0.0 111.092 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 17.3 mt . . . . . 0 CA--C 1.531 0.235 0 CA-C-N 113.584 -1.644 . . . . 0.0 111.912 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.875 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 10.2 m-85 . . . . . 0 N--CA 1.426 -1.645 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.512 ' HG2' ' CE2' ' A' ' 7' ' ' TRP . 2.8 Cg_exo -79.44 -67.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.99 0 C-N-CA 124.293 3.328 . . . . 0.0 110.148 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.497 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 15.1 p-90 -179.69 -41.3 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 113.144 -1.844 . . . . 0.0 107.474 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.774 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 40.0 p-90 -83.9 -23.29 31.27 Favored 'General case' 0 CA--C 1.493 -1.213 0 CA-C-N 114.078 -1.419 . . . . 0.0 110.701 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.688 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -74.0 -42.89 6.06 Favored Pre-proline 0 N--CA 1.433 -1.322 0 C-N-CA 118.45 -1.3 . . . . 0.0 111.878 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.875 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 84.4 Cg_exo -38.73 -18.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.322 2.015 . . . . 0.0 109.929 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.774 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 7.8 m-85 -74.42 -59.35 2.77 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 112.45 -2.159 . . . . 0.0 111.239 177.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.589 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 19.5 mt . . . . . 0 CA--C 1.532 0.256 0 CA-C-N 113.696 -1.593 . . . . 0.0 112.099 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.961 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 15.2 m-85 . . . . . 0 N--CA 1.426 -1.638 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.468 ' HG2' ' CE2' ' A' ' 7' ' ' TRP . 2.5 Cg_endo -81.73 -69.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.177 0 C-N-CA 124.098 3.199 . . . . 0.0 109.504 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.422 ' CH2' ' HB3' ' A' ' 7' ' ' TRP . 21.8 p-90 179.7 -39.89 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 112.737 -2.029 . . . . 0.0 107.029 178.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.832 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 32.0 p-90 -85.86 -18.93 31.44 Favored 'General case' 0 CA--C 1.495 -1.165 0 CA-C-N 113.767 -1.56 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.754 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -70.25 -48.2 19.49 Favored Pre-proline 0 N--CA 1.437 -1.095 0 C-N-CA 118.058 -1.457 . . . . 0.0 111.858 -177.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.961 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 79.2 Cg_exo -33.15 -22.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.937 2.424 . . . . 0.0 110.184 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.832 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.8 m-85 -71.08 -64.02 0.99 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 112.421 -2.172 . . . . 0.0 112.292 176.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.525 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 2.7 mm? . . . . . 0 N--CA 1.467 0.409 0 CA-C-N 114.364 -1.289 . . . . 0.0 113.849 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.884 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 44.4 m-85 . . . . . 0 N--CA 1.427 -1.584 0 CA-C-O 121.637 0.732 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.737 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 3.8 Cg_exo -77.97 -70.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.009 0 C-N-CA 124.218 3.279 . . . . 0.0 109.798 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.5 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 9.2 p-90 -179.81 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.157 -1.838 . . . . 0.0 107.358 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.767 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 45.0 p-90 -86.11 -26.91 24.98 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.606 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.729 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -70.18 -41.88 15.23 Favored Pre-proline 0 N--CA 1.434 -1.247 0 C-N-CA 118.724 -1.191 . . . . 0.0 111.587 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.884 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 97.2 Cg_exo -37.48 -17.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.854 2.369 . . . . 0.0 110.248 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.767 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.5 m-85 -82.84 -61.53 1.84 Allowed 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 112.279 -2.237 . . . . 0.0 112.186 177.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 8' ' ' TRP . 40.0 mt . . . . . 0 N--CA 1.466 0.346 0 CA-C-N 113.56 -1.655 . . . . 0.0 115.038 -176.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.596 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 63.4 m-85 . . . . . 0 N--CA 1.439 -1.004 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.807 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 73.7 Cg_exo -55.79 -80.18 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.765 2.31 . . . . 0.0 113.056 -178.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.579 ' HA ' ' HG2' ' A' ' 9' ' ' PRO . 50.1 p-90 -179.69 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.64 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 56.3 p-90 -72.51 -31.58 65.46 Favored 'General case' 0 CA--C 1.492 -1.288 0 CA-C-N 114.031 -1.44 . . . . 0.0 108.317 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.807 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 1.7 t90 -70.96 -55.66 6.41 Favored Pre-proline 0 N--CA 1.425 -1.677 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.04 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.596 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 29.9 Cg_exo -28.87 -30.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.457 2.772 . . . . 0.0 110.794 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.67 ' N ' ' O ' ' A' ' 8' ' ' TRP . 3.0 m-85 -58.26 -65.63 0.62 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.056 -1.884 . . . . 0.0 110.498 175.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' A' ' 8' ' ' TRP . 13.8 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-N 113.177 -1.829 . . . . 0.0 112.076 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.98 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 3.7 m-85 . . . . . 0 N--CA 1.426 -1.632 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.589 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 97.9 Cg_endo -94.73 -64.82 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 124.24 3.293 . . . . 0.0 110.91 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.573 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 22.9 p-90 179.41 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.284 -1.78 . . . . 0.0 107.231 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.73 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 33.9 p-90 -82.64 -23.65 34.16 Favored 'General case' 0 CA--C 1.491 -1.321 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.624 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.702 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -71.96 -49.77 9.99 Favored Pre-proline 0 N--CA 1.427 -1.622 0 C-N-CA 118.184 -1.406 . . . . 0.0 111.647 -177.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.98 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 86.1 Cg_exo -32.18 -26.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.097 2.531 . . . . 0.0 110.402 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.73 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.4 m-85 -67.74 -65.48 0.68 Allowed 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 112.577 -2.101 . . . . 0.0 111.794 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 8' ' ' TRP . 42.6 mt . . . . . 0 CA--C 1.531 0.223 0 CA-C-N 113.237 -1.802 . . . . 0.0 114.127 -178.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.9 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 6.7 m-85 . . . . . 0 N--CA 1.429 -1.52 0 CA-C-O 121.72 0.771 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.607 ' CD ' ' HB3' ' A' ' 8' ' ' TRP . 3.3 Cg_exo -77.17 -68.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 124.578 3.518 . . . . 0.0 109.247 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.477 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 10.5 p-90 -179.88 -41.07 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 113.21 -1.813 . . . . 0.0 107.649 177.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.78 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 43.9 p-90 -86.23 -22.84 26.67 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 114.099 -1.409 . . . . 0.0 110.767 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.707 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t-105 -72.41 -40.65 7.26 Favored Pre-proline 0 N--CA 1.435 -1.201 0 C-N-CA 118.96 -1.096 . . . . 0.0 112.175 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.9 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 82.5 Cg_exo -37.9 -18.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.566 2.177 . . . . 0.0 109.686 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.78 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 7.9 m-85 -75.24 -62.21 1.64 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 111.949 -2.387 . . . . 0.0 111.617 177.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 7.0 mp . . . . . 0 C--N 1.34 0.168 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.592 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.638 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 79.2 m-85 . . . . . 0 N--CA 1.442 -0.849 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.812 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 87.4 Cg_exo -54.14 -79.09 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.96 2.44 . . . . 0.0 112.793 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.521 ' HA ' ' HG2' ' A' ' 9' ' ' PRO . 32.9 p-90 -178.73 -47.63 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.668 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 52.3 p-90 -74.97 -29.82 61.02 Favored 'General case' 0 CA--C 1.489 -1.389 0 CA-C-N 114.433 -1.258 . . . . 0.0 108.303 178.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.812 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 1.9 t90 -70.8 -53.32 9.17 Favored Pre-proline 0 N--CA 1.425 -1.677 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.04 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 43.9 Cg_exo -30.22 -29.69 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.247 2.631 . . . . 0.0 110.546 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.673 ' N ' ' O ' ' A' ' 8' ' ' TRP . 2.9 m-85 -62.3 -62.56 1.68 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 113.17 -1.832 . . . . 0.0 110.278 175.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.646 ' N ' ' O ' ' A' ' 8' ' ' TRP . 18.8 mt . . . . . 0 CA--C 1.531 0.221 0 CA-C-N 113.102 -1.863 . . . . 0.0 111.807 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 N--CA 1.443 -0.791 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.72 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 80.2 Cg_exo -51.8 -81.41 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.679 2.252 . . . . 0.0 112.766 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.579 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 39.8 p-90 -178.53 -45.16 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.684 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 45.9 p-90 -76.85 -26.22 54.04 Favored 'General case' 0 CA--C 1.492 -1.288 0 CA-C-N 114.248 -1.342 . . . . 0.0 108.519 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.72 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 1.9 t90 -71.8 -50.24 10.0 Favored Pre-proline 0 N--CA 1.428 -1.565 0 C-N-CA 119.366 -0.934 . . . . 0.0 111.737 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.579 ' HD2' ' C ' ' A' ' 6' ' ' TRP . 48.8 Cg_exo -33.75 -24.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.1 2.533 . . . . 0.0 110.711 -178.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.686 ' N ' ' O ' ' A' ' 8' ' ' TRP . 24.3 m-85 -68.68 -63.58 1.03 Allowed 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 112.723 -2.035 . . . . 0.0 110.847 176.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' A' ' 8' ' ' TRP . 20.7 mt . . . . . 0 CA--C 1.53 0.209 0 CA-C-N 113.294 -1.775 . . . . 0.0 112.659 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.939 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 5.2 m-85 . . . . . 0 N--CA 1.426 -1.654 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.576 ' CG ' ' H ' ' A' ' 6' ' ' TRP . 72.6 Cg_endo -92.81 -64.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.323 0 C-N-CA 124.34 3.36 . . . . 0.0 110.144 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.576 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 21.6 p-90 179.1 -40.34 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.225 -1.807 . . . . 0.0 106.833 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.83 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 32.1 p-90 -86.8 -16.52 35.97 Favored 'General case' 0 CA--C 1.491 -1.319 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.577 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.724 ' O ' ' N ' ' A' ' 10' ' ' PHE . 6.5 t-105 -70.73 -50.31 13.38 Favored Pre-proline 0 N--CA 1.43 -1.425 0 C-N-CA 117.266 -1.774 . . . . 0.0 111.603 -177.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.939 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 85.4 Cg_exo -31.61 -25.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.259 2.639 . . . . 0.0 110.113 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.83 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 2.5 m-85 -56.79 -65.3 0.64 Allowed 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 112.776 -2.011 . . . . 0.0 110.991 175.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 8' ' ' TRP . 3.9 mp . . . . . 0 CA--C 1.533 0.3 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.607 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.442 -0.851 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.792 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 36.9 Cg_exo -65.3 -140.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.329 -0.454 0 C-N-CA 123.404 2.736 . . . . 0.0 111.997 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.535 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 48.2 p-90 -117.1 -39.9 3.17 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.584 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 61.9 p-90 -73.95 -34.95 64.49 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.541 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.792 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 2.0 t90 -68.73 -47.7 32.57 Favored Pre-proline 0 N--CA 1.436 -1.139 0 C-N-CA 119.471 -0.891 . . . . 0.0 111.792 -178.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 48.2 Cg_exo -34.55 -22.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.412 2.741 . . . . 0.0 111.565 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.663 ' N ' ' O ' ' A' ' 8' ' ' TRP . 2.8 m-85 -71.23 -62.12 1.52 Allowed 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 113.066 -1.879 . . . . 0.0 111.299 177.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.521 HD12 ' CD2' ' A' ' 8' ' ' TRP . 21.5 mt . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 113.125 -1.852 . . . . 0.0 113.79 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.928 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 25.1 m-85 . . . . . 0 N--CA 1.419 -2.014 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.542 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 6.3 Cg_exo -83.55 -67.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.135 0 C-N-CA 124.717 3.611 . . . . 0.0 110.089 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.469 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 12.5 p-90 -179.64 -44.8 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.195 -1.821 . . . . 0.0 107.583 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.666 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 44.5 p-90 -80.1 -31.93 39.18 Favored 'General case' 0 CA--C 1.484 -1.596 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.813 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.874 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -59.11 -51.84 78.89 Favored Pre-proline 0 N--CA 1.422 -1.833 0 C-N-CA 117.716 -1.593 . . . . 0.0 109.11 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.928 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 27.6 Cg_exo -46.96 66.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.37 1.677 0 C-N-CA 123.534 2.823 . . . . 0.0 107.857 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.874 ' N ' ' O ' ' A' ' 8' ' ' TRP 0.284 1.5 m-85 -167.02 -64.52 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 112.067 -2.333 . . . . 0.0 108.946 -172.542 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.531 ' HB2' ' NE1' ' A' ' 8' ' ' TRP . 16.2 mt . . . . . 0 N--CA 1.451 -0.385 0 CA-C-N 111.703 -2.499 . . . . 0.0 112.831 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.905 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 46.3 m-85 . . . . . 0 N--CA 1.428 -1.526 0 CA-C-O 121.553 0.692 . . . . 0.0 109.238 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.894 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 4.6 Cg_exo -76.75 -71.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 124.174 3.249 . . . . 0.0 109.847 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.444 ' CE3' ' N ' ' A' ' 7' ' ' TRP . 9.2 p-90 179.9 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.315 -1.766 . . . . 0.0 107.685 177.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.751 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 51.3 p-90 -83.57 -30.92 26.63 Favored 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.254 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.709 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 2.1 t90 -69.61 -44.53 24.5 Favored Pre-proline 0 N--CA 1.434 -1.268 0 C-N-CA 119.511 -0.876 . . . . 0.0 111.596 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.905 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 56.0 Cg_exo -37.63 -17.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.289 2.66 . . . . 0.0 110.681 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.751 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.5 m-85 -74.66 -58.73 3.1 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 112.37 -2.195 . . . . 0.0 110.968 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' A' ' 8' ' ' TRP . 10.1 mt . . . . . 0 CA--C 1.532 0.266 0 CA-C-N 113.339 -1.755 . . . . 0.0 111.981 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 1.011 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 64.2 m-85 . . . . . 0 N--CA 1.429 -1.519 0 CA-C-O 121.772 0.796 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.76 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 4.2 Cg_exo -80.69 -69.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.924 0 C-N-CA 124.447 3.431 . . . . 0.0 109.409 178.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.485 ' O ' ' HG2' ' A' ' 9' ' ' PRO . 6.3 p-90 179.99 -44.44 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.429 -1.714 . . . . 0.0 108.059 177.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.691 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 44.8 p-90 -83.78 -32.02 25.61 Favored 'General case' 0 CA--C 1.486 -1.518 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.268 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.811 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.3 t-105 -60.21 -48.36 94.4 Favored Pre-proline 0 N--CA 1.426 -1.651 0 C-N-CA 118.449 -1.3 . . . . 0.0 110.426 -178.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 1.011 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 1.3 Cg_endo -53.58 68.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.364 1.395 0 C-N-CA 123.139 2.559 . . . . 0.0 106.814 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.811 ' N ' ' O ' ' A' ' 8' ' ' TRP 0.306 0.4 OUTLIER -165.91 -64.93 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 111.15 -2.75 . . . . 0.0 109.095 -171.923 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 8' ' ' TRP . 11.8 mt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-N 111.765 -2.471 . . . . 0.0 111.571 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.611 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 53.1 m-85 . . . . . 0 N--CA 1.439 -0.98 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.827 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 74.8 Cg_exo -55.25 -79.07 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.909 2.406 . . . . 0.0 112.097 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.483 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 39.9 p-90 -179.38 -48.16 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.696 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 54.5 p-90 -74.6 -25.42 59.24 Favored 'General case' 0 CA--C 1.492 -1.258 0 CA-C-N 114.203 -1.362 . . . . 0.0 108.439 178.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.827 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 2.1 t-105 -70.24 -56.1 7.29 Favored Pre-proline 0 N--CA 1.43 -1.431 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.974 -177.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 49.9 Cg_exo -31.06 -27.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.937 3.091 . . . . 0.0 111.012 -178.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.696 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.3 m-85 -58.61 -64.27 0.99 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.547 -2.115 . . . . 0.0 111.415 176.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 8' ' ' TRP . 9.6 mp . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 113.241 -1.799 . . . . 0.0 111.963 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.92 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 5.0 m-85 . . . . . 0 N--CA 1.426 -1.635 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.679 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 98.8 Cg_endo -94.8 -63.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.426 3.418 . . . . 0.0 110.934 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.569 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 14.9 p-90 179.62 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 113.477 -1.692 . . . . 0.0 107.074 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.731 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 34.4 p-90 -83.65 -22.14 32.24 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-N 113.879 -1.51 . . . . 0.0 111.602 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.68 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -74.1 -46.09 6.42 Favored Pre-proline 0 N--CA 1.43 -1.462 0 C-N-CA 118.134 -1.427 . . . . 0.0 112.048 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.92 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 79.2 Cg_exo -35.75 -22.61 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.796 2.331 . . . . 0.0 110.334 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.731 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.0 m-85 -72.79 -66.18 0.7 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 112.267 -2.242 . . . . 0.0 111.466 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 8' ' ' TRP . 36.2 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-N 113.841 -1.527 . . . . 0.0 112.354 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 1' ' ' VAL . 35.1 m . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.842 0.353 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.549 ' HD2' ' O ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -63.18 139.42 58.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.805 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 22.8 tptm -175.62 39.37 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.918 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 6.9 m-85 -133.96 167.66 21.77 Favored Pre-proline 0 N--CA 1.433 -1.303 0 CA-C-N 114.089 -1.414 . . . . 0.0 109.49 -178.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.841 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 91.1 Cg_endo -91.16 -63.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 123.955 3.103 . . . . 0.0 110.373 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.558 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 11.6 p-90 179.58 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.749 -1.569 . . . . 0.0 107.206 177.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.758 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 37.6 p-90 -85.79 -23.07 27.37 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 113.967 -1.47 . . . . 0.0 111.565 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.656 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -73.85 -41.67 5.67 Favored Pre-proline 0 N--CA 1.43 -1.449 0 C-N-CA 118.392 -1.323 . . . . 0.0 111.622 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.918 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 84.6 Cg_exo -38.69 -20.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.43 2.086 . . . . 0.0 109.989 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.758 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 9.0 m-85 -74.11 -59.1 2.88 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 112.545 -2.116 . . . . 0.0 111.421 177.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.594 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 19.6 mt -60.65 62.23 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 113.564 -1.653 . . . . 0.0 112.477 -178.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.604 ' HE3' ' HE1' ' A' ' 4' ' ' PHE . 74.1 mmtt -149.63 31.95 0.72 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.945 0.403 . . . . 0.0 110.166 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -163.65 -28.67 0.04 OUTLIER 'General case' 0 C--O 1.249 1.048 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 119.218 0.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 52.7 t . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.743 0.306 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -172.38 -39.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -175.16 29.52 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.961 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 37.1 m-85 -146.79 165.14 20.4 Favored Pre-proline 0 N--CA 1.43 -1.425 0 CA-C-N 113.06 -1.882 . . . . 0.0 108.914 -178.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.703 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 2.9 Cg_endo -80.91 -69.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.04 0 C-N-CA 123.93 3.087 . . . . 0.0 109.624 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.434 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 8.7 p-90 -179.93 -43.26 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.196 -1.82 . . . . 0.0 107.578 177.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.774 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 42.1 p-90 -82.71 -25.62 32.78 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-N 114.062 -1.427 . . . . 0.0 110.818 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.714 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -71.46 -45.62 13.31 Favored Pre-proline 0 N--CA 1.432 -1.326 0 C-N-CA 118.678 -1.209 . . . . 0.0 111.856 -178.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.961 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 80.6 Cg_exo -34.75 -22.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.902 2.401 . . . . 0.0 110.072 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.774 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.3 m-85 -71.17 -61.39 1.78 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 112.268 -2.242 . . . . 0.0 111.241 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.599 ' N ' ' O ' ' A' ' 8' ' ' TRP . 29.4 mt -58.39 62.14 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 113.463 -1.699 . . . . 0.0 112.992 -178.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.6 ' HE3' ' HE2' ' A' ' 4' ' ' PHE . 73.0 mmtt -149.4 29.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.072 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -68.58 -14.42 63.0 Favored 'General case' 0 C--O 1.249 1.048 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 1 O-C-N 95.63 -16.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.901 0.382 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.493 ' N ' ' HD3' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -62.24 131.35 49.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.609 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -176.04 14.73 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 1.006 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 37.5 m-85 -149.49 160.04 35.19 Favored Pre-proline 0 N--CA 1.425 -1.717 0 CA-C-N 113.445 -1.707 . . . . 0.0 108.986 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.623 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 4.7 Cg_exo -81.7 -69.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 124.353 3.368 . . . . 0.0 109.753 179.085 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.421 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 14.1 p-90 179.63 -43.03 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 113.111 -1.859 . . . . 0.0 107.88 177.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.76 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 41.1 p-90 -82.37 -24.97 34.21 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.625 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.692 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -71.57 -47.6 12.63 Favored Pre-proline 0 N--CA 1.433 -1.317 0 C-N-CA 118.973 -1.091 . . . . 0.0 111.998 -178.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 1.006 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 79.7 Cg_exo -33.69 -24.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.96 2.44 . . . . 0.0 109.975 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.76 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 4.3 m-85 -67.88 -64.58 0.83 Allowed 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 112.05 -2.341 . . . . 0.0 110.974 176.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.6 ' N ' ' O ' ' A' ' 8' ' ' TRP . 18.1 mt -60.73 67.8 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 113.186 -1.825 . . . . 0.0 112.596 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -158.12 -53.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.769 0.319 . . . . 0.0 111.308 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -71.35 -87.6 0.02 OUTLIER 'General case' 0 C--O 1.249 1.049 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 1 O-C-N 93.527 -18.233 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.489 HG13 ' N ' ' A' ' 2' ' ' LYS . 7.9 p . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.709 0.29 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.554 ' HB3' ' NZ ' ' A' ' 2' ' ' LYS . 6.3 ttpm? -170.33 -37.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.097 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -175.09 26.42 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.909 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 64.7 m-85 -149.76 164.3 21.36 Favored Pre-proline 0 N--CA 1.43 -1.451 0 CA-C-N 113.051 -1.886 . . . . 0.0 108.668 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.674 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 6.3 Cg_exo -79.48 -70.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.145 0 C-N-CA 124.0 3.133 . . . . 0.0 109.553 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.403 ' CE3' ' N ' ' A' ' 7' ' ' TRP . 12.9 p-90 179.92 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.036 -1.893 . . . . 0.0 107.417 177.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.762 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 41.3 p-90 -86.59 -22.24 26.37 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.006 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.681 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -73.65 -44.39 7.06 Favored Pre-proline 0 N--CA 1.436 -1.173 0 C-N-CA 118.624 -1.23 . . . . 0.0 112.225 -177.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.909 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 91.7 Cg_exo -37.47 -20.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.568 2.178 . . . . 0.0 109.924 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.762 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 6.2 m-85 -74.31 -61.8 1.74 Allowed 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 112.136 -2.302 . . . . 0.0 111.595 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 8' ' ' TRP . 47.3 mt -61.53 63.29 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 113.68 -1.6 . . . . 0.0 113.351 -177.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.515 ' HD3' ' HE1' ' A' ' 4' ' ' PHE . 7.6 mtmp? -152.95 31.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.391 . . . . 0.0 110.145 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' C ' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -58.55 123.0 14.77 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.297 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 1 O-C-N 110.034 -7.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 56.7 t . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.728 0.299 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.621 ' HZ1' ' HB3' ' A' ' 2' ' ' LYS . 6.8 ttpm? -169.83 -41.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -175.46 37.73 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.948 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 20.9 m-85 -145.76 166.57 16.89 Favored Pre-proline 0 N--CA 1.433 -1.309 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.135 -178.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.771 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 82.2 Cg_endo -91.8 -64.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.057 3.171 . . . . 0.0 110.234 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.553 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 16.9 p-90 179.35 -39.59 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 113.6 -1.636 . . . . 0.0 107.417 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.753 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 36.1 p-90 -86.5 -21.17 27.12 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-N 113.948 -1.478 . . . . 0.0 111.648 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.709 ' HE1' ' HE2' ' A' ' 12' ' ' LYS . 2.1 t90 -75.49 -43.04 4.15 Favored Pre-proline 0 N--CA 1.432 -1.346 0 C-N-CA 118.305 -1.358 . . . . 0.0 111.883 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.948 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 86.6 Cg_exo -38.95 -20.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.508 2.139 . . . . 0.0 110.083 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.753 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.2 m-85 -72.05 -58.69 3.22 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 112.382 -2.19 . . . . 0.0 111.092 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 17.3 mt -60.19 64.41 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 113.584 -1.644 . . . . 0.0 111.912 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.709 ' HE2' ' HE1' ' A' ' 8' ' ' TRP . 64.1 mmtt -150.21 30.23 0.7 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.309 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.463 ' C ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -164.34 131.26 3.14 Favored 'General case' 0 C--O 1.25 1.086 0 CA-C-O 118.054 -0.974 . . . . 0.0 111.17 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 1 O-C-N 74.403 -30.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.799 0.333 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -64.35 87.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.514 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -158.86 -36.3 0.06 Allowed 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 107.003 -1.481 . . . . 0.0 107.003 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.875 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 10.2 m-85 -150.36 152.58 33.41 Favored Pre-proline 0 N--CA 1.426 -1.645 0 CA-C-N 113.403 -1.726 . . . . 0.0 108.092 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.512 ' HG2' ' CE2' ' A' ' 7' ' ' TRP . 2.8 Cg_exo -79.44 -67.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.99 0 C-N-CA 124.293 3.328 . . . . 0.0 110.148 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.497 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 15.1 p-90 -179.69 -41.3 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 113.144 -1.844 . . . . 0.0 107.474 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.774 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 40.0 p-90 -83.9 -23.29 31.27 Favored 'General case' 0 CA--C 1.493 -1.213 0 CA-C-N 114.078 -1.419 . . . . 0.0 110.701 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.772 ' HE1' ' HE2' ' A' ' 12' ' ' LYS . 2.2 t90 -74.0 -42.89 6.06 Favored Pre-proline 0 N--CA 1.433 -1.322 0 C-N-CA 118.45 -1.3 . . . . 0.0 111.878 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.875 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 84.4 Cg_exo -38.73 -18.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.322 2.015 . . . . 0.0 109.929 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.774 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 7.8 m-85 -74.42 -59.35 2.77 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 112.45 -2.159 . . . . 0.0 111.239 177.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.589 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 19.5 mt -60.2 63.75 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 113.696 -1.593 . . . . 0.0 112.099 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.772 ' HE2' ' HE1' ' A' ' 8' ' ' TRP . 60.8 mmtt -152.03 32.07 0.54 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.041 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -170.33 0.28 0.02 OUTLIER 'General case' 0 C--O 1.249 1.075 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.951 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 1 O-C-N 113.621 -5.675 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.828 0.347 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 2' ' ' LYS . 61.9 tttp -173.15 45.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.404 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -176.04 26.16 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.961 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 15.2 m-85 -143.61 161.35 47.13 Favored Pre-proline 0 N--CA 1.426 -1.638 0 CA-C-N 113.31 -1.768 . . . . 0.0 109.015 -178.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.468 ' HG2' ' CE2' ' A' ' 7' ' ' TRP . 2.5 Cg_endo -81.73 -69.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.177 0 C-N-CA 124.098 3.199 . . . . 0.0 109.504 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.422 ' CH2' ' HB3' ' A' ' 7' ' ' TRP . 21.8 p-90 179.7 -39.89 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 112.737 -2.029 . . . . 0.0 107.029 178.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.832 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 32.0 p-90 -85.86 -18.93 31.44 Favored 'General case' 0 CA--C 1.495 -1.165 0 CA-C-N 113.767 -1.56 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.754 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -70.25 -48.2 19.49 Favored Pre-proline 0 N--CA 1.437 -1.095 0 C-N-CA 118.058 -1.457 . . . . 0.0 111.858 -177.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.961 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 79.2 Cg_exo -33.15 -22.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.937 2.424 . . . . 0.0 110.184 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.832 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.8 m-85 -71.08 -64.02 0.99 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 112.421 -2.172 . . . . 0.0 112.292 176.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.525 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 2.7 mm? -39.55 -42.25 1.13 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 114.364 -1.289 . . . . 0.0 113.849 -177.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.797 ' HE3' ' HA ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -53.52 -47.02 70.3 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.092 -179.311 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -65.93 -59.97 3.32 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 116.757 -3.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.402 ' H3 ' HG11 ' A' ' 1' ' ' VAL . 33.6 m . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.811 0.338 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -148.19 140.42 24.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.795 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -160.77 27.03 0.15 Allowed 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.884 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 44.4 m-85 -142.46 163.95 36.05 Favored Pre-proline 0 N--CA 1.427 -1.584 0 CA-C-N 113.21 -1.814 . . . . 0.0 109.627 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.737 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 3.8 Cg_exo -77.97 -70.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.009 0 C-N-CA 124.218 3.279 . . . . 0.0 109.798 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.5 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 9.2 p-90 -179.81 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.157 -1.838 . . . . 0.0 107.358 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.767 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 45.0 p-90 -86.11 -26.91 24.98 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.606 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.729 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -70.18 -41.88 15.23 Favored Pre-proline 0 N--CA 1.434 -1.247 0 C-N-CA 118.724 -1.191 . . . . 0.0 111.587 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.884 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 97.2 Cg_exo -37.48 -17.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.854 2.369 . . . . 0.0 110.248 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.767 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.5 m-85 -82.84 -61.53 1.84 Allowed 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 112.279 -2.237 . . . . 0.0 112.186 177.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 8' ' ' TRP . 40.0 mt -64.68 55.95 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 113.56 -1.655 . . . . 0.0 115.038 -176.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.707 ' HE3' ' HA ' ' A' ' 9' ' ' PRO . 2.8 mptm? -88.78 -39.39 13.95 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.922 177.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -169.52 88.77 0.17 Allowed 'General case' 0 C--O 1.25 1.094 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.938 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 1 O-C-N 86.773 -22.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.82 0.343 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -60.32 137.68 58.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -168.45 -22.25 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.759 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.596 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 63.4 m-85 -140.89 160.07 59.81 Favored Pre-proline 0 N--CA 1.439 -1.004 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.807 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 73.7 Cg_exo -55.79 -80.18 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.765 2.31 . . . . 0.0 113.056 -178.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.579 ' HA ' ' HG2' ' A' ' 9' ' ' PRO . 50.1 p-90 -179.69 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.64 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 56.3 p-90 -72.51 -31.58 65.46 Favored 'General case' 0 CA--C 1.492 -1.288 0 CA-C-N 114.031 -1.44 . . . . 0.0 108.317 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.807 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 1.7 t90 -70.96 -55.66 6.41 Favored Pre-proline 0 N--CA 1.425 -1.677 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.04 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.596 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 29.9 Cg_exo -28.87 -30.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.457 2.772 . . . . 0.0 110.794 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.67 ' N ' ' O ' ' A' ' 8' ' ' TRP . 3.0 m-85 -58.26 -65.63 0.62 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.056 -1.884 . . . . 0.0 110.498 175.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.585 ' N ' ' O ' ' A' ' 8' ' ' TRP . 13.8 mt -43.02 -26.89 0.16 Allowed 'General case' 0 C--O 1.231 0.097 0 CA-C-N 113.177 -1.829 . . . . 0.0 112.076 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -75.5 51.26 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 111.211 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.654 ' HZ2' ' HB2' ' A' ' 13' ' ' LYS . 4.9 ttmp? -166.83 -77.4 0.02 OUTLIER 'General case' 0 C--O 1.249 1.079 0 CA-C-O 118.102 -0.952 . . . . 0.0 110.931 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 1 O-C-N 83.415 -24.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.734 0.302 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 88.1 tttt -61.84 131.66 50.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.737 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 2' ' ' LYS . 41.6 mmtm -164.92 29.77 0.06 Allowed 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.98 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 3.7 m-85 -141.58 162.08 48.79 Favored Pre-proline 0 N--CA 1.426 -1.632 0 CA-C-N 113.845 -1.525 . . . . 0.0 108.94 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.589 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 97.9 Cg_endo -94.73 -64.82 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 124.24 3.293 . . . . 0.0 110.91 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.573 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 22.9 p-90 179.41 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.284 -1.78 . . . . 0.0 107.231 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.73 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 33.9 p-90 -82.64 -23.65 34.16 Favored 'General case' 0 CA--C 1.491 -1.321 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.624 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.702 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -71.96 -49.77 9.99 Favored Pre-proline 0 N--CA 1.427 -1.622 0 C-N-CA 118.184 -1.406 . . . . 0.0 111.647 -177.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.98 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 86.1 Cg_exo -32.18 -26.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.097 2.531 . . . . 0.0 110.402 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.73 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.4 m-85 -67.74 -65.48 0.68 Allowed 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 112.577 -2.101 . . . . 0.0 111.794 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 8' ' ' TRP . 42.6 mt -39.91 -35.61 0.37 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 113.237 -1.802 . . . . 0.0 114.127 -178.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.789 ' HE3' ' HA ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -59.36 -41.3 88.94 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.078 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -55.52 -106.04 0.0 OUTLIER 'General case' 0 C--O 1.248 1.018 0 CA-C-O 118.115 -0.945 . . . . 0.0 111.016 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 1 O-C-N 70.374 -32.704 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.409 ' O ' HG22 ' A' ' 1' ' ' VAL . 30.0 m . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.923 0.392 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -122.35 -43.68 2.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 27.6 tptp -175.64 27.84 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.9 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 6.7 m-85 -144.84 160.93 45.26 Favored Pre-proline 0 N--CA 1.429 -1.52 0 CA-C-N 113.636 -1.62 . . . . 0.0 110.081 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.607 ' CD ' ' HB3' ' A' ' 8' ' ' TRP . 3.3 Cg_exo -77.17 -68.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 124.578 3.518 . . . . 0.0 109.247 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.477 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 10.5 p-90 -179.88 -41.07 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 113.21 -1.813 . . . . 0.0 107.649 177.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.78 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 43.9 p-90 -86.23 -22.84 26.67 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 114.099 -1.409 . . . . 0.0 110.767 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.707 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t-105 -72.41 -40.65 7.26 Favored Pre-proline 0 N--CA 1.435 -1.201 0 C-N-CA 118.96 -1.096 . . . . 0.0 112.175 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.9 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 82.5 Cg_exo -37.9 -18.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.566 2.177 . . . . 0.0 109.686 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.78 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 7.9 m-85 -75.24 -62.21 1.64 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 111.949 -2.387 . . . . 0.0 111.617 177.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.561 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 7.0 mp -42.96 -50.16 5.89 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.592 -178.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -43.74 97.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.678 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.769 ' HE3' ' HA ' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -60.21 130.46 46.76 Favored 'General case' 0 C--O 1.249 1.057 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.945 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 O-C-N 120.368 -1.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 1' ' ' VAL . 27.7 m . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.93 0.395 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -71.06 120.37 16.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.122 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -176.16 -31.23 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.173 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.638 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 79.2 m-85 -141.47 160.95 55.01 Favored Pre-proline 0 N--CA 1.442 -0.849 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.194 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.812 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 87.4 Cg_exo -54.14 -79.09 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.96 2.44 . . . . 0.0 112.793 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.521 ' HA ' ' HG2' ' A' ' 9' ' ' PRO . 32.9 p-90 -178.73 -47.63 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.668 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 52.3 p-90 -74.97 -29.82 61.02 Favored 'General case' 0 CA--C 1.489 -1.389 0 CA-C-N 114.433 -1.258 . . . . 0.0 108.303 178.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.812 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 1.9 t90 -70.8 -53.32 9.17 Favored Pre-proline 0 N--CA 1.425 -1.677 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.04 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.638 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 43.9 Cg_exo -30.22 -29.69 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.247 2.631 . . . . 0.0 110.546 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.673 ' N ' ' O ' ' A' ' 8' ' ' TRP . 2.9 m-85 -62.3 -62.56 1.68 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 113.17 -1.832 . . . . 0.0 110.278 175.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.646 ' N ' ' O ' ' A' ' 8' ' ' TRP . 18.8 mt -58.47 67.57 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 113.102 -1.863 . . . . 0.0 111.807 -179.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -171.45 39.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.189 0.518 . . . . 0.0 110.58 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' C ' ' HD3' ' A' ' 13' ' ' LYS . 12.9 tmtt? -60.67 -39.43 88.37 Favored 'General case' 0 C--O 1.249 1.06 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.46 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 O-C-N 121.085 -1.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.851 0.358 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -66.07 -53.81 33.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -175.34 -22.95 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.442 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.508 ' CZ ' ' HE2' ' A' ' 12' ' ' LYS . 91.8 m-85 -144.5 164.48 28.13 Favored Pre-proline 0 N--CA 1.443 -0.791 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.888 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.72 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 80.2 Cg_exo -51.8 -81.41 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.679 2.252 . . . . 0.0 112.766 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.579 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 39.8 p-90 -178.53 -45.16 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.684 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 45.9 p-90 -76.85 -26.22 54.04 Favored 'General case' 0 CA--C 1.492 -1.288 0 CA-C-N 114.248 -1.342 . . . . 0.0 108.519 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.72 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 1.9 t90 -71.8 -50.24 10.0 Favored Pre-proline 0 N--CA 1.428 -1.565 0 C-N-CA 119.366 -0.934 . . . . 0.0 111.737 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.579 ' HD2' ' C ' ' A' ' 6' ' ' TRP . 48.8 Cg_exo -33.75 -24.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.1 2.533 . . . . 0.0 110.711 -178.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.686 ' N ' ' O ' ' A' ' 8' ' ' TRP . 24.3 m-85 -68.68 -63.58 1.03 Allowed 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 112.723 -2.035 . . . . 0.0 110.847 176.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.58 ' N ' ' O ' ' A' ' 8' ' ' TRP . 20.7 mt -62.0 68.02 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 113.294 -1.775 . . . . 0.0 112.659 -178.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.508 ' HE2' ' CZ ' ' A' ' 4' ' ' PHE . 31.3 mmtp -115.17 -45.97 2.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.545 0.212 . . . . 0.0 111.33 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -63.08 -72.27 0.14 Allowed 'General case' 0 C--O 1.249 1.063 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.827 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 1 O-C-N 109.69 -8.131 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.405 ' O ' HG22 ' A' ' 1' ' ' VAL . 12.0 p . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 121.394 0.616 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -112.9 48.21 1.04 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.982 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -172.6 -14.72 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.939 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 5.2 m-85 -143.28 161.42 47.78 Favored Pre-proline 0 N--CA 1.426 -1.654 0 CA-C-N 114.091 -1.413 . . . . 0.0 108.578 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.576 ' CG ' ' H ' ' A' ' 6' ' ' TRP . 72.6 Cg_endo -92.81 -64.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.323 0 C-N-CA 124.34 3.36 . . . . 0.0 110.144 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.576 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 21.6 p-90 179.1 -40.34 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.225 -1.807 . . . . 0.0 106.833 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.83 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 32.1 p-90 -86.8 -16.52 35.97 Favored 'General case' 0 CA--C 1.491 -1.319 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.577 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.724 ' O ' ' N ' ' A' ' 10' ' ' PHE . 6.5 t-105 -70.73 -50.31 13.38 Favored Pre-proline 0 N--CA 1.43 -1.425 0 C-N-CA 117.266 -1.774 . . . . 0.0 111.603 -177.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.939 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 85.4 Cg_exo -31.61 -25.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.259 2.639 . . . . 0.0 110.113 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.83 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 2.5 m-85 -56.79 -65.3 0.64 Allowed 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 112.776 -2.011 . . . . 0.0 110.991 175.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 8' ' ' TRP . 3.9 mp -57.74 69.98 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.607 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.655 ' HE2' ' HE1' ' A' ' 8' ' ' TRP . 72.0 mmtt -148.54 -65.07 0.24 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.712 0.292 . . . . 0.0 111.423 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' C ' ' HD2' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -76.82 111.4 12.31 Favored 'General case' 0 C--O 1.248 1.026 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.537 -179.629 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 1 O-C-N 82.932 -24.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.727 0.298 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -81.21 136.36 35.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -175.21 43.6 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.563 0.697 . . . . 0.0 109.271 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -140.73 156.36 68.99 Favored Pre-proline 0 N--CA 1.442 -0.851 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.709 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.792 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 36.9 Cg_exo -65.3 -140.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.329 -0.454 0 C-N-CA 123.404 2.736 . . . . 0.0 111.997 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.535 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 48.2 p-90 -117.1 -39.9 3.17 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.584 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 61.9 p-90 -73.95 -34.95 64.49 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.541 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.792 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 2.0 t90 -68.73 -47.7 32.57 Favored Pre-proline 0 N--CA 1.436 -1.139 0 C-N-CA 119.471 -0.891 . . . . 0.0 111.792 -178.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 48.2 Cg_exo -34.55 -22.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.412 2.741 . . . . 0.0 111.565 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.663 ' N ' ' O ' ' A' ' 8' ' ' TRP . 2.8 m-85 -71.23 -62.12 1.52 Allowed 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 113.066 -1.879 . . . . 0.0 111.299 177.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.521 HD12 ' CD2' ' A' ' 8' ' ' TRP . 21.5 mt -42.11 -20.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 113.125 -1.852 . . . . 0.0 113.79 -178.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.522 ' HD3' ' O ' ' A' ' 9' ' ' PRO . 5.0 mptp? -50.82 -41.22 57.23 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.187 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -58.99 -27.74 65.7 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 118.05 -0.976 . . . . 0.0 111.114 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 O-C-N 120.603 -1.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.66 0.267 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.58 ' HB3' ' NZ ' ' A' ' 2' ' ' LYS . 8.9 mtpm? -62.88 115.99 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 0.0 111.215 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -176.08 -20.78 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.928 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 25.1 m-85 -145.1 152.33 50.82 Favored Pre-proline 0 N--CA 1.419 -2.014 0 CA-C-N 113.302 -1.772 . . . . 0.0 108.184 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.542 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 6.3 Cg_exo -83.55 -67.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.135 0 C-N-CA 124.717 3.611 . . . . 0.0 110.089 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.469 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 12.5 p-90 -179.64 -44.8 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.195 -1.821 . . . . 0.0 107.583 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.666 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 44.5 p-90 -80.1 -31.93 39.18 Favored 'General case' 0 CA--C 1.484 -1.596 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.813 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.874 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -59.11 -51.84 78.89 Favored Pre-proline 0 N--CA 1.422 -1.833 0 C-N-CA 117.716 -1.593 . . . . 0.0 109.11 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.928 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 27.6 Cg_exo -46.96 66.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.37 1.677 0 C-N-CA 123.534 2.823 . . . . 0.0 107.857 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.874 ' N ' ' O ' ' A' ' 8' ' ' TRP 0.284 1.5 m-85 -167.02 -64.52 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 112.067 -2.333 . . . . 0.0 108.946 -172.542 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.531 ' HB2' ' NE1' ' A' ' 8' ' ' TRP . 16.2 mt -49.92 -35.56 24.33 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 111.703 -2.499 . . . . 0.0 112.831 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HG3' ' HE1' ' A' ' 4' ' ' PHE . 74.4 mmtt -61.48 -47.46 85.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.692 0.282 . . . . 0.0 111.25 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.89 -5.18 8.41 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-O 118.008 -0.996 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 O-C-N 119.516 -1.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.534 HG11 ' HG2' ' A' ' 2' ' ' LYS . 8.5 p . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.771 0.319 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.541 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 8.7 ptpp? -168.16 38.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 2' ' ' LYS . 29.1 mmmt -167.33 27.09 0.03 OUTLIER 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.905 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 46.3 m-85 -141.85 164.57 33.44 Favored Pre-proline 0 N--CA 1.428 -1.526 0 CA-C-N 113.082 -1.872 . . . . 0.0 109.238 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.894 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 4.6 Cg_exo -76.75 -71.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 124.174 3.249 . . . . 0.0 109.847 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.444 ' CE3' ' N ' ' A' ' 7' ' ' TRP . 9.2 p-90 179.9 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.315 -1.766 . . . . 0.0 107.685 177.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.751 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 51.3 p-90 -83.57 -30.92 26.63 Favored 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.254 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.709 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 2.1 t90 -69.61 -44.53 24.5 Favored Pre-proline 0 N--CA 1.434 -1.268 0 C-N-CA 119.511 -0.876 . . . . 0.0 111.596 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.905 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 56.0 Cg_exo -37.63 -17.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.289 2.66 . . . . 0.0 110.681 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.751 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.5 m-85 -74.66 -58.73 3.1 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 112.37 -2.195 . . . . 0.0 110.968 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' A' ' 8' ' ' TRP . 10.1 mt -53.27 -0.39 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 113.339 -1.755 . . . . 0.0 111.981 -179.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.567 ' H ' ' C ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -131.78 52.9 2.03 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.971 0.415 . . . . 0.0 110.605 179.233 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -162.91 95.37 0.87 Allowed 'General case' 0 C--O 1.249 1.036 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 1 O-C-N 96.008 -16.683 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.814 0.34 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -64.93 -43.94 91.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.289 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -175.73 34.14 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 1.011 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 64.2 m-85 -144.71 166.14 19.72 Favored Pre-proline 0 N--CA 1.429 -1.519 0 CA-C-N 113.508 -1.678 . . . . 0.0 110.233 -177.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.76 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 4.2 Cg_exo -80.69 -69.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.924 0 C-N-CA 124.447 3.431 . . . . 0.0 109.409 178.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.485 ' O ' ' HG2' ' A' ' 9' ' ' PRO . 6.3 p-90 179.99 -44.44 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.429 -1.714 . . . . 0.0 108.059 177.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.691 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 44.8 p-90 -83.78 -32.02 25.61 Favored 'General case' 0 CA--C 1.486 -1.518 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.268 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.811 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.3 t-105 -60.21 -48.36 94.4 Favored Pre-proline 0 N--CA 1.426 -1.651 0 C-N-CA 118.449 -1.3 . . . . 0.0 110.426 -178.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 1.011 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 1.3 Cg_endo -53.58 68.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.364 1.395 0 C-N-CA 123.139 2.559 . . . . 0.0 106.814 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.811 ' N ' ' O ' ' A' ' 8' ' ' TRP 0.306 0.4 OUTLIER -165.91 -64.93 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 111.15 -2.75 . . . . 0.0 109.095 -171.923 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.468 HD12 ' CG ' ' A' ' 8' ' ' TRP . 11.8 mt -50.54 -14.99 0.21 Allowed 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 111.765 -2.471 . . . . 0.0 111.571 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.644 ' HD3' ' HE1' ' A' ' 4' ' ' PHE . 31.6 mmmt -67.52 -125.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.974 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -60.51 -13.96 16.89 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 1 O-C-N 102.672 -12.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 121.016 0.436 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -169.21 48.47 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.497 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.761 ' HE3' ' HA ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -175.42 35.87 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.701 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.611 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 53.1 m-85 -144.94 161.2 43.81 Favored Pre-proline 0 N--CA 1.439 -0.98 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.305 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.827 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 74.8 Cg_exo -55.25 -79.07 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.909 2.406 . . . . 0.0 112.097 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.483 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 39.9 p-90 -179.38 -48.16 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.696 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 54.5 p-90 -74.6 -25.42 59.24 Favored 'General case' 0 CA--C 1.492 -1.258 0 CA-C-N 114.203 -1.362 . . . . 0.0 108.439 178.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.827 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 2.1 t-105 -70.24 -56.1 7.29 Favored Pre-proline 0 N--CA 1.43 -1.431 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.974 -177.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 49.9 Cg_exo -31.06 -27.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.937 3.091 . . . . 0.0 111.012 -178.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.696 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.3 m-85 -58.61 -64.27 0.99 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.547 -2.115 . . . . 0.0 111.415 176.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 8' ' ' TRP . 9.6 mp -34.16 -38.22 0.06 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 113.241 -1.799 . . . . 0.0 111.963 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.657 ' HA ' ' HE2' ' A' ' 12' ' ' LYS . 7.8 mmpt? -75.72 -51.9 11.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.453 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -150.71 94.12 2.04 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.717 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 1 O-C-N 104.285 -11.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.874 0.368 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -144.65 47.79 1.35 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.697 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -174.03 -0.78 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.92 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 5.0 m-85 -148.39 158.81 40.35 Favored Pre-proline 0 N--CA 1.426 -1.635 0 CA-C-N 114.024 -1.443 . . . . 0.0 108.179 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.679 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 98.8 Cg_endo -94.8 -63.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.426 3.418 . . . . 0.0 110.934 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.569 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 14.9 p-90 179.62 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 113.477 -1.692 . . . . 0.0 107.074 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.731 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 34.4 p-90 -83.65 -22.14 32.24 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-N 113.879 -1.51 . . . . 0.0 111.602 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.68 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -74.1 -46.09 6.42 Favored Pre-proline 0 N--CA 1.43 -1.462 0 C-N-CA 118.134 -1.427 . . . . 0.0 112.048 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.92 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 79.2 Cg_exo -35.75 -22.61 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.796 2.331 . . . . 0.0 110.334 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.731 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.0 m-85 -72.79 -66.18 0.7 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 112.267 -2.242 . . . . 0.0 111.466 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 8' ' ' TRP . 36.2 mt -47.44 -36.88 10.58 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 113.841 -1.527 . . . . 0.0 112.354 -178.543 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -56.35 -44.89 80.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -64.91 4.27 0.45 Allowed 'General case' 0 C--O 1.249 1.073 0 CA-C-O 118.049 -0.977 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 1 O-C-N 106.498 -10.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.933 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 6.9 m-85 . . . . . 0 N--CA 1.433 -1.303 0 CA-C-O 121.414 0.626 . . . . 0.0 109.49 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.87 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 91.1 Cg_endo -91.16 -63.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 123.955 3.103 . . . . 0.0 110.373 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.542 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 11.6 p-90 179.58 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.749 -1.569 . . . . 0.0 107.206 177.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.746 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 37.6 p-90 -85.79 -23.07 27.37 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 113.967 -1.47 . . . . 0.0 111.565 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.656 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -73.85 -41.67 5.67 Favored Pre-proline 0 N--CA 1.43 -1.449 0 C-N-CA 118.392 -1.323 . . . . 0.0 111.622 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.933 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 84.6 Cg_exo -38.69 -20.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.43 2.086 . . . . 0.0 109.989 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.746 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 9.0 m-85 -74.11 -59.1 2.88 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 112.545 -2.116 . . . . 0.0 111.421 177.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.603 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 19.6 mt . . . . . 0 CA--C 1.531 0.225 0 CA-C-N 113.564 -1.653 . . . . 0.0 112.477 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.986 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 37.1 m-85 . . . . . 0 N--CA 1.43 -1.425 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.735 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 2.9 Cg_endo -80.91 -69.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.04 0 C-N-CA 123.93 3.087 . . . . 0.0 109.624 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.434 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 8.7 p-90 -179.93 -43.26 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.196 -1.82 . . . . 0.0 107.578 177.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.759 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 42.1 p-90 -82.71 -25.62 32.78 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-N 114.062 -1.427 . . . . 0.0 110.818 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.714 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -71.46 -45.62 13.31 Favored Pre-proline 0 N--CA 1.432 -1.326 0 C-N-CA 118.678 -1.209 . . . . 0.0 111.856 -178.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.986 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 80.6 Cg_exo -34.75 -22.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.902 2.401 . . . . 0.0 110.072 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.759 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.3 m-85 -71.17 -61.39 1.78 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 112.268 -2.242 . . . . 0.0 111.241 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.599 ' N ' ' O ' ' A' ' 8' ' ' TRP . 29.4 mt . . . . . 0 CA--C 1.533 0.293 0 CA-C-N 113.463 -1.699 . . . . 0.0 112.992 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 1.017 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 37.5 m-85 . . . . . 0 N--CA 1.425 -1.717 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.663 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 4.7 Cg_exo -81.7 -69.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 124.353 3.368 . . . . 0.0 109.753 179.085 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.421 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 14.1 p-90 179.63 -43.03 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 113.111 -1.859 . . . . 0.0 107.88 177.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.75 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 41.1 p-90 -82.37 -24.97 34.21 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.625 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.692 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -71.57 -47.6 12.63 Favored Pre-proline 0 N--CA 1.433 -1.317 0 C-N-CA 118.973 -1.091 . . . . 0.0 111.998 -178.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.017 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 79.7 Cg_exo -33.69 -24.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.96 2.44 . . . . 0.0 109.975 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.75 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 4.3 m-85 -67.88 -64.58 0.83 Allowed 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 112.05 -2.341 . . . . 0.0 110.974 176.118 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.6 ' N ' ' O ' ' A' ' 8' ' ' TRP . 18.1 mt . . . . . 0 CA--C 1.53 0.193 0 CA-C-N 113.186 -1.825 . . . . 0.0 112.596 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.941 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 64.7 m-85 . . . . . 0 N--CA 1.43 -1.451 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.71 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 6.3 Cg_exo -79.48 -70.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.145 0 C-N-CA 124.0 3.133 . . . . 0.0 109.553 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.413 ' CZ3' ' HB3' ' A' ' 7' ' ' TRP . 12.9 p-90 179.92 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.036 -1.893 . . . . 0.0 107.417 177.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.753 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 41.3 p-90 -86.59 -22.24 26.37 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.006 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.681 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -73.65 -44.39 7.06 Favored Pre-proline 0 N--CA 1.436 -1.173 0 C-N-CA 118.624 -1.23 . . . . 0.0 112.225 -177.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.941 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 91.7 Cg_exo -37.47 -20.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.568 2.178 . . . . 0.0 109.924 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.753 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 6.2 m-85 -74.31 -61.8 1.74 Allowed 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 112.136 -2.302 . . . . 0.0 111.595 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.624 HD12 ' HZ3' ' A' ' 7' ' ' TRP . 47.3 mt . . . . . 0 N--CA 1.463 0.202 0 CA-C-N 113.68 -1.6 . . . . 0.0 113.351 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.955 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 20.9 m-85 . . . . . 0 N--CA 1.433 -1.309 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.809 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 82.2 Cg_endo -91.8 -64.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.057 3.171 . . . . 0.0 110.234 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.536 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 16.9 p-90 179.35 -39.59 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 113.6 -1.636 . . . . 0.0 107.417 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.737 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 36.1 p-90 -86.5 -21.17 27.12 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-N 113.948 -1.478 . . . . 0.0 111.648 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.644 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -75.49 -43.04 4.15 Favored Pre-proline 0 N--CA 1.432 -1.346 0 C-N-CA 118.305 -1.358 . . . . 0.0 111.883 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.955 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 86.6 Cg_exo -38.95 -20.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.508 2.139 . . . . 0.0 110.083 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.737 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.2 m-85 -72.05 -58.69 3.22 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 112.382 -2.19 . . . . 0.0 111.092 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.575 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 17.3 mt . . . . . 0 CA--C 1.531 0.235 0 CA-C-N 113.584 -1.644 . . . . 0.0 111.912 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.905 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 10.2 m-85 . . . . . 0 N--CA 1.426 -1.645 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.521 ' HG2' ' CE2' ' A' ' 7' ' ' TRP . 2.8 Cg_exo -79.44 -67.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.99 0 C-N-CA 124.293 3.328 . . . . 0.0 110.148 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.507 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 15.1 p-90 -179.69 -41.3 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 113.144 -1.844 . . . . 0.0 107.474 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.756 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 40.0 p-90 -83.9 -23.29 31.27 Favored 'General case' 0 CA--C 1.493 -1.213 0 CA-C-N 114.078 -1.419 . . . . 0.0 110.701 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.688 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -74.0 -42.89 6.06 Favored Pre-proline 0 N--CA 1.433 -1.322 0 C-N-CA 118.45 -1.3 . . . . 0.0 111.878 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.905 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 84.4 Cg_exo -38.73 -18.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.322 2.015 . . . . 0.0 109.929 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.756 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 7.8 m-85 -74.42 -59.35 2.77 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 112.45 -2.159 . . . . 0.0 111.239 177.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.596 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 19.5 mt . . . . . 0 CA--C 1.532 0.256 0 CA-C-N 113.696 -1.593 . . . . 0.0 112.099 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 1.002 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 15.2 m-85 . . . . . 0 N--CA 1.426 -1.638 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.483 ' HG2' ' CE2' ' A' ' 7' ' ' TRP . 2.5 Cg_endo -81.73 -69.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.177 0 C-N-CA 124.098 3.199 . . . . 0.0 109.504 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.434 ' CH2' ' HB3' ' A' ' 7' ' ' TRP . 21.8 p-90 179.7 -39.89 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 112.737 -2.029 . . . . 0.0 107.029 178.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.815 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 32.0 p-90 -85.86 -18.93 31.44 Favored 'General case' 0 CA--C 1.495 -1.165 0 CA-C-N 113.767 -1.56 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.754 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -70.25 -48.2 19.49 Favored Pre-proline 0 N--CA 1.437 -1.095 0 C-N-CA 118.058 -1.457 . . . . 0.0 111.858 -177.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.002 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 79.2 Cg_exo -33.15 -22.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.937 2.424 . . . . 0.0 110.184 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.815 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.8 m-85 -71.08 -64.02 0.99 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 112.421 -2.172 . . . . 0.0 112.292 176.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.54 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 2.7 mm? . . . . . 0 N--CA 1.467 0.409 0 CA-C-N 114.364 -1.289 . . . . 0.0 113.849 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.896 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 44.4 m-85 . . . . . 0 N--CA 1.427 -1.584 0 CA-C-O 121.637 0.732 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.75 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 3.8 Cg_exo -77.97 -70.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.009 0 C-N-CA 124.218 3.279 . . . . 0.0 109.798 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.51 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 9.2 p-90 -179.81 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.157 -1.838 . . . . 0.0 107.358 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.749 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 45.0 p-90 -86.11 -26.91 24.98 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.606 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.729 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -70.18 -41.88 15.23 Favored Pre-proline 0 N--CA 1.434 -1.247 0 C-N-CA 118.724 -1.191 . . . . 0.0 111.587 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.896 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 97.2 Cg_exo -37.48 -17.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.854 2.369 . . . . 0.0 110.248 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.749 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.5 m-85 -82.84 -61.53 1.84 Allowed 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 112.279 -2.237 . . . . 0.0 112.186 177.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.599 HD12 ' CZ3' ' A' ' 7' ' ' TRP . 40.0 mt . . . . . 0 N--CA 1.466 0.346 0 CA-C-N 113.56 -1.655 . . . . 0.0 115.038 -176.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.641 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 63.4 m-85 . . . . . 0 N--CA 1.439 -1.004 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.836 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 73.7 Cg_exo -55.79 -80.18 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.765 2.31 . . . . 0.0 113.056 -178.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.547 ' HA ' ' HG2' ' A' ' 9' ' ' PRO . 50.1 p-90 -179.69 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.618 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 56.3 p-90 -72.51 -31.58 65.46 Favored 'General case' 0 CA--C 1.492 -1.288 0 CA-C-N 114.031 -1.44 . . . . 0.0 108.317 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.836 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 1.7 t90 -70.96 -55.66 6.41 Favored Pre-proline 0 N--CA 1.425 -1.677 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.04 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.641 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 29.9 Cg_exo -28.87 -30.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.457 2.772 . . . . 0.0 110.794 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.67 ' N ' ' O ' ' A' ' 8' ' ' TRP . 3.0 m-85 -58.26 -65.63 0.62 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.056 -1.884 . . . . 0.0 110.498 175.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 8' ' ' TRP . 13.8 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-N 113.177 -1.829 . . . . 0.0 112.076 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 1.018 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 3.7 m-85 . . . . . 0 N--CA 1.426 -1.632 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.637 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 97.9 Cg_endo -94.73 -64.82 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 124.24 3.293 . . . . 0.0 110.91 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.562 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 22.9 p-90 179.41 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.284 -1.78 . . . . 0.0 107.231 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.728 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 33.9 p-90 -82.64 -23.65 34.16 Favored 'General case' 0 CA--C 1.491 -1.321 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.624 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.702 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -71.96 -49.77 9.99 Favored Pre-proline 0 N--CA 1.427 -1.622 0 C-N-CA 118.184 -1.406 . . . . 0.0 111.647 -177.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.018 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 86.1 Cg_exo -32.18 -26.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.097 2.531 . . . . 0.0 110.402 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.728 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.4 m-85 -67.74 -65.48 0.68 Allowed 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 112.577 -2.101 . . . . 0.0 111.794 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 8' ' ' TRP . 42.6 mt . . . . . 0 CA--C 1.531 0.223 0 CA-C-N 113.237 -1.802 . . . . 0.0 114.127 -178.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.912 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 6.7 m-85 . . . . . 0 N--CA 1.429 -1.52 0 CA-C-O 121.72 0.771 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.644 ' CD ' ' HB3' ' A' ' 8' ' ' TRP . 3.3 Cg_exo -77.17 -68.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 124.578 3.518 . . . . 0.0 109.247 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.496 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 10.5 p-90 -179.88 -41.07 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 113.21 -1.813 . . . . 0.0 107.649 177.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.762 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 43.9 p-90 -86.23 -22.84 26.67 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 114.099 -1.409 . . . . 0.0 110.767 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.707 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t-105 -72.41 -40.65 7.26 Favored Pre-proline 0 N--CA 1.435 -1.201 0 C-N-CA 118.96 -1.096 . . . . 0.0 112.175 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.912 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 82.5 Cg_exo -37.9 -18.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.566 2.177 . . . . 0.0 109.686 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.762 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 7.9 m-85 -75.24 -62.21 1.64 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 111.949 -2.387 . . . . 0.0 111.617 177.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 8' ' ' TRP . 7.0 mp . . . . . 0 C--N 1.34 0.168 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.592 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.679 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 79.2 m-85 . . . . . 0 N--CA 1.442 -0.849 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.829 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 87.4 Cg_exo -54.14 -79.09 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.96 2.44 . . . . 0.0 112.793 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.489 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 32.9 p-90 -178.73 -47.63 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.654 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 52.3 p-90 -74.97 -29.82 61.02 Favored 'General case' 0 CA--C 1.489 -1.389 0 CA-C-N 114.433 -1.258 . . . . 0.0 108.303 178.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.829 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 1.9 t90 -70.8 -53.32 9.17 Favored Pre-proline 0 N--CA 1.425 -1.677 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.04 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.679 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 43.9 Cg_exo -30.22 -29.69 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.247 2.631 . . . . 0.0 110.546 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.673 ' N ' ' O ' ' A' ' 8' ' ' TRP . 2.9 m-85 -62.3 -62.56 1.68 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 113.17 -1.832 . . . . 0.0 110.278 175.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.646 ' N ' ' O ' ' A' ' 8' ' ' TRP . 18.8 mt . . . . . 0 CA--C 1.531 0.221 0 CA-C-N 113.102 -1.863 . . . . 0.0 111.807 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 N--CA 1.443 -0.791 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.76 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 80.2 Cg_exo -51.8 -81.41 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.679 2.252 . . . . 0.0 112.766 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.581 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 39.8 p-90 -178.53 -45.16 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.669 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 45.9 p-90 -76.85 -26.22 54.04 Favored 'General case' 0 CA--C 1.492 -1.288 0 CA-C-N 114.248 -1.342 . . . . 0.0 108.519 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.76 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 1.9 t90 -71.8 -50.24 10.0 Favored Pre-proline 0 N--CA 1.428 -1.565 0 C-N-CA 119.366 -0.934 . . . . 0.0 111.737 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.581 ' HD2' ' C ' ' A' ' 6' ' ' TRP . 48.8 Cg_exo -33.75 -24.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.1 2.533 . . . . 0.0 110.711 -178.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.686 ' N ' ' O ' ' A' ' 8' ' ' TRP . 24.3 m-85 -68.68 -63.58 1.03 Allowed 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 112.723 -2.035 . . . . 0.0 110.847 176.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.588 HD12 ' HZ3' ' A' ' 7' ' ' TRP . 20.7 mt . . . . . 0 CA--C 1.53 0.209 0 CA-C-N 113.294 -1.775 . . . . 0.0 112.659 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.987 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 5.2 m-85 . . . . . 0 N--CA 1.426 -1.654 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.556 ' CG ' ' H ' ' A' ' 6' ' ' TRP . 72.6 Cg_endo -92.81 -64.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.323 0 C-N-CA 124.34 3.36 . . . . 0.0 110.144 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.556 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 21.6 p-90 179.1 -40.34 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.225 -1.807 . . . . 0.0 106.833 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.821 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 32.1 p-90 -86.8 -16.52 35.97 Favored 'General case' 0 CA--C 1.491 -1.319 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.577 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.724 ' O ' ' N ' ' A' ' 10' ' ' PHE . 6.5 t-105 -70.73 -50.31 13.38 Favored Pre-proline 0 N--CA 1.43 -1.425 0 C-N-CA 117.266 -1.774 . . . . 0.0 111.603 -177.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.987 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 85.4 Cg_exo -31.61 -25.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.259 2.639 . . . . 0.0 110.113 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.821 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 2.5 m-85 -56.79 -65.3 0.64 Allowed 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 112.776 -2.011 . . . . 0.0 110.991 175.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 8' ' ' TRP . 3.9 mp . . . . . 0 CA--C 1.533 0.3 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.607 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.442 -0.851 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.808 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 36.9 Cg_exo -65.3 -140.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.329 -0.454 0 C-N-CA 123.404 2.736 . . . . 0.0 111.997 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.538 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 48.2 p-90 -117.1 -39.9 3.17 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.56 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 61.9 p-90 -73.95 -34.95 64.49 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.541 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.808 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 2.0 t90 -68.73 -47.7 32.57 Favored Pre-proline 0 N--CA 1.436 -1.139 0 C-N-CA 119.471 -0.891 . . . . 0.0 111.792 -178.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 48.2 Cg_exo -34.55 -22.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.412 2.741 . . . . 0.0 111.565 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.663 ' N ' ' O ' ' A' ' 8' ' ' TRP . 2.8 m-85 -71.23 -62.12 1.52 Allowed 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 113.066 -1.879 . . . . 0.0 111.299 177.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 8' ' ' TRP . 21.5 mt . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 113.125 -1.852 . . . . 0.0 113.79 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.921 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 25.1 m-85 . . . . . 0 N--CA 1.419 -2.014 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.611 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 6.3 Cg_exo -83.55 -67.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.135 0 C-N-CA 124.717 3.611 . . . . 0.0 110.089 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.475 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 12.5 p-90 -179.64 -44.8 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.195 -1.821 . . . . 0.0 107.583 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.657 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 44.5 p-90 -80.1 -31.93 39.18 Favored 'General case' 0 CA--C 1.484 -1.596 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.813 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.874 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -59.11 -51.84 78.89 Favored Pre-proline 0 N--CA 1.422 -1.833 0 C-N-CA 117.716 -1.593 . . . . 0.0 109.11 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.921 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 27.6 Cg_exo -46.96 66.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.37 1.677 0 C-N-CA 123.534 2.823 . . . . 0.0 107.857 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.874 ' N ' ' O ' ' A' ' 8' ' ' TRP 0.284 1.5 m-85 -167.02 -64.52 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 112.067 -2.333 . . . . 0.0 108.946 -172.542 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 8' ' ' TRP . 16.2 mt . . . . . 0 N--CA 1.451 -0.385 0 CA-C-N 111.703 -2.499 . . . . 0.0 112.831 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.939 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 46.3 m-85 . . . . . 0 N--CA 1.428 -1.526 0 CA-C-O 121.553 0.692 . . . . 0.0 109.238 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.93 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 4.6 Cg_exo -76.75 -71.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 124.174 3.249 . . . . 0.0 109.847 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.446 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 9.2 p-90 179.9 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.315 -1.766 . . . . 0.0 107.685 177.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.725 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 51.3 p-90 -83.57 -30.92 26.63 Favored 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.254 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.711 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 2.1 t90 -69.61 -44.53 24.5 Favored Pre-proline 0 N--CA 1.434 -1.268 0 C-N-CA 119.511 -0.876 . . . . 0.0 111.596 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.939 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 56.0 Cg_exo -37.63 -17.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.289 2.66 . . . . 0.0 110.681 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.725 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.5 m-85 -74.66 -58.73 3.1 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 112.37 -2.195 . . . . 0.0 110.968 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 8' ' ' TRP . 10.1 mt . . . . . 0 CA--C 1.532 0.266 0 CA-C-N 113.339 -1.755 . . . . 0.0 111.981 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 1.019 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 64.2 m-85 . . . . . 0 N--CA 1.429 -1.519 0 CA-C-O 121.772 0.796 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.787 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 4.2 Cg_exo -80.69 -69.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.924 0 C-N-CA 124.447 3.431 . . . . 0.0 109.409 178.203 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.489 ' O ' ' HG2' ' A' ' 9' ' ' PRO . 6.3 p-90 179.99 -44.44 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.429 -1.714 . . . . 0.0 108.059 177.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.688 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 44.8 p-90 -83.78 -32.02 25.61 Favored 'General case' 0 CA--C 1.486 -1.518 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.268 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.811 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.3 t-105 -60.21 -48.36 94.4 Favored Pre-proline 0 N--CA 1.426 -1.651 0 C-N-CA 118.449 -1.3 . . . . 0.0 110.426 -178.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 1.019 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 1.3 Cg_endo -53.58 68.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.364 1.395 0 C-N-CA 123.139 2.559 . . . . 0.0 106.814 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.811 ' N ' ' O ' ' A' ' 8' ' ' TRP 0.306 0.4 OUTLIER -165.91 -64.93 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 111.15 -2.75 . . . . 0.0 109.095 -171.923 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 8' ' ' TRP . 11.8 mt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-N 111.765 -2.471 . . . . 0.0 111.571 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.642 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 53.1 m-85 . . . . . 0 N--CA 1.439 -0.98 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.87 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 74.8 Cg_exo -55.25 -79.07 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.909 2.406 . . . . 0.0 112.097 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.483 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 39.9 p-90 -179.38 -48.16 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.689 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 54.5 p-90 -74.6 -25.42 59.24 Favored 'General case' 0 CA--C 1.492 -1.258 0 CA-C-N 114.203 -1.362 . . . . 0.0 108.439 178.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.902 ' HA ' HD13 ' A' ' 11' ' ' LEU . 2.1 t-105 -70.24 -56.1 7.29 Favored Pre-proline 0 N--CA 1.43 -1.431 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.974 -177.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.642 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 49.9 Cg_exo -31.06 -27.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.937 3.091 . . . . 0.0 111.012 -178.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.689 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.3 m-85 -58.61 -64.27 0.99 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.547 -2.115 . . . . 0.0 111.415 176.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.902 HD13 ' HA ' ' A' ' 8' ' ' TRP . 9.6 mp . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 113.241 -1.799 . . . . 0.0 111.963 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.942 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 5.0 m-85 . . . . . 0 N--CA 1.426 -1.635 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.727 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 98.8 Cg_endo -94.8 -63.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.426 3.418 . . . . 0.0 110.934 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.545 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 14.9 p-90 179.62 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 113.477 -1.692 . . . . 0.0 107.074 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.709 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 34.4 p-90 -83.65 -22.14 32.24 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-N 113.879 -1.51 . . . . 0.0 111.602 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.68 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -74.1 -46.09 6.42 Favored Pre-proline 0 N--CA 1.43 -1.462 0 C-N-CA 118.134 -1.427 . . . . 0.0 112.048 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.942 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 79.2 Cg_exo -35.75 -22.61 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.796 2.331 . . . . 0.0 110.334 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.709 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.0 m-85 -72.79 -66.18 0.7 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 112.267 -2.242 . . . . 0.0 111.466 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 8' ' ' TRP . 36.2 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-N 113.841 -1.527 . . . . 0.0 112.354 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.842 0.353 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.55 ' HD2' ' O ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -63.18 139.42 58.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.805 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 22.8 tptm -175.62 39.37 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.933 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 6.9 m-85 -133.96 167.66 21.77 Favored Pre-proline 0 N--CA 1.433 -1.303 0 CA-C-N 114.089 -1.414 . . . . 0.0 109.49 -178.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.87 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 91.1 Cg_endo -91.16 -63.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 123.955 3.103 . . . . 0.0 110.373 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.542 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 11.6 p-90 179.58 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.749 -1.569 . . . . 0.0 107.206 177.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.746 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 37.6 p-90 -85.79 -23.07 27.37 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 113.967 -1.47 . . . . 0.0 111.565 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.656 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -73.85 -41.67 5.67 Favored Pre-proline 0 N--CA 1.43 -1.449 0 C-N-CA 118.392 -1.323 . . . . 0.0 111.622 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.933 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 84.6 Cg_exo -38.69 -20.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.43 2.086 . . . . 0.0 109.989 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.746 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 9.0 m-85 -74.11 -59.1 2.88 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 112.545 -2.116 . . . . 0.0 111.421 177.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.603 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 19.6 mt -60.65 62.23 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 113.564 -1.653 . . . . 0.0 112.477 -178.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.631 ' HE3' ' HE1' ' A' ' 4' ' ' PHE . 74.1 mmtt -149.63 31.95 0.72 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.945 0.403 . . . . 0.0 110.166 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -163.65 -28.67 0.04 OUTLIER 'General case' 0 C--O 1.249 1.048 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 119.218 0.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 52.7 t . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.743 0.306 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -172.38 -39.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -175.16 29.52 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.986 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 37.1 m-85 -146.79 165.14 20.4 Favored Pre-proline 0 N--CA 1.43 -1.425 0 CA-C-N 113.06 -1.882 . . . . 0.0 108.914 -178.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.735 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 2.9 Cg_endo -80.91 -69.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.04 0 C-N-CA 123.93 3.087 . . . . 0.0 109.624 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.434 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 8.7 p-90 -179.93 -43.26 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.196 -1.82 . . . . 0.0 107.578 177.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.759 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 42.1 p-90 -82.71 -25.62 32.78 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-N 114.062 -1.427 . . . . 0.0 110.818 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.714 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -71.46 -45.62 13.31 Favored Pre-proline 0 N--CA 1.432 -1.326 0 C-N-CA 118.678 -1.209 . . . . 0.0 111.856 -178.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.986 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 80.6 Cg_exo -34.75 -22.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.902 2.401 . . . . 0.0 110.072 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.759 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.3 m-85 -71.17 -61.39 1.78 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 112.268 -2.242 . . . . 0.0 111.241 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.599 ' N ' ' O ' ' A' ' 8' ' ' TRP . 29.4 mt -58.39 62.14 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 113.463 -1.699 . . . . 0.0 112.992 -178.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.629 ' HE3' ' HE2' ' A' ' 4' ' ' PHE . 73.0 mmtt -149.4 29.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.072 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -68.58 -14.42 63.0 Favored 'General case' 0 C--O 1.249 1.048 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 1 O-C-N 95.63 -16.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.901 0.382 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.504 ' HD3' ' N ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -62.24 131.35 49.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.609 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.409 ' H ' ' H ' ' A' ' 4' ' ' PHE . 54.3 tptt -176.04 14.73 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 1.017 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 37.5 m-85 -149.49 160.04 35.19 Favored Pre-proline 0 N--CA 1.425 -1.717 0 CA-C-N 113.445 -1.707 . . . . 0.0 108.986 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.663 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 4.7 Cg_exo -81.7 -69.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 124.353 3.368 . . . . 0.0 109.753 179.085 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.421 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 14.1 p-90 179.63 -43.03 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 113.111 -1.859 . . . . 0.0 107.88 177.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.75 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 41.1 p-90 -82.37 -24.97 34.21 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.625 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.692 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -71.57 -47.6 12.63 Favored Pre-proline 0 N--CA 1.433 -1.317 0 C-N-CA 118.973 -1.091 . . . . 0.0 111.998 -178.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.017 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 79.7 Cg_exo -33.69 -24.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.96 2.44 . . . . 0.0 109.975 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.75 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 4.3 m-85 -67.88 -64.58 0.83 Allowed 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 112.05 -2.341 . . . . 0.0 110.974 176.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.6 ' N ' ' O ' ' A' ' 8' ' ' TRP . 18.1 mt -60.73 67.8 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 113.186 -1.825 . . . . 0.0 112.596 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -158.12 -53.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.769 0.319 . . . . 0.0 111.308 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -71.35 -87.6 0.02 OUTLIER 'General case' 0 C--O 1.249 1.049 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 1 O-C-N 93.527 -18.233 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.709 0.29 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.561 ' HB3' ' NZ ' ' A' ' 2' ' ' LYS . 6.3 ttpm? -170.33 -37.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.097 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -175.09 26.42 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.941 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 64.7 m-85 -149.76 164.3 21.36 Favored Pre-proline 0 N--CA 1.43 -1.451 0 CA-C-N 113.051 -1.886 . . . . 0.0 108.668 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.71 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 6.3 Cg_exo -79.48 -70.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.145 0 C-N-CA 124.0 3.133 . . . . 0.0 109.553 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.413 ' CZ3' ' HB3' ' A' ' 7' ' ' TRP . 12.9 p-90 179.92 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.036 -1.893 . . . . 0.0 107.417 177.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.753 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 41.3 p-90 -86.59 -22.24 26.37 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.006 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.681 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -73.65 -44.39 7.06 Favored Pre-proline 0 N--CA 1.436 -1.173 0 C-N-CA 118.624 -1.23 . . . . 0.0 112.225 -177.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.941 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 91.7 Cg_exo -37.47 -20.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.568 2.178 . . . . 0.0 109.924 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.753 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 6.2 m-85 -74.31 -61.8 1.74 Allowed 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 112.136 -2.302 . . . . 0.0 111.595 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.624 HD12 ' HZ3' ' A' ' 7' ' ' TRP . 47.3 mt -61.53 63.29 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 113.68 -1.6 . . . . 0.0 113.351 -177.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.521 ' HD3' ' HE1' ' A' ' 4' ' ' PHE . 7.6 mtmp? -152.95 31.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.391 . . . . 0.0 110.145 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.483 ' C ' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -58.55 123.0 14.77 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.297 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 1 O-C-N 110.034 -7.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 56.7 t . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.728 0.299 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.737 ' HZ3' ' HE2' ' A' ' 4' ' ' PHE . 6.8 ttpm? -169.83 -41.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -175.46 37.73 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.955 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 20.9 m-85 -145.76 166.57 16.89 Favored Pre-proline 0 N--CA 1.433 -1.309 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.135 -178.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.809 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 82.2 Cg_endo -91.8 -64.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.057 3.171 . . . . 0.0 110.234 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.536 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 16.9 p-90 179.35 -39.59 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 113.6 -1.636 . . . . 0.0 107.417 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.737 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 36.1 p-90 -86.5 -21.17 27.12 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-N 113.948 -1.478 . . . . 0.0 111.648 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.705 ' HE1' ' HE2' ' A' ' 12' ' ' LYS . 2.1 t90 -75.49 -43.04 4.15 Favored Pre-proline 0 N--CA 1.432 -1.346 0 C-N-CA 118.305 -1.358 . . . . 0.0 111.883 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.955 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 86.6 Cg_exo -38.95 -20.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.508 2.139 . . . . 0.0 110.083 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.737 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.2 m-85 -72.05 -58.69 3.22 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 112.382 -2.19 . . . . 0.0 111.092 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.575 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 17.3 mt -60.19 64.41 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 113.584 -1.644 . . . . 0.0 111.912 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.705 ' HE2' ' HE1' ' A' ' 8' ' ' TRP . 64.1 mmtt -150.21 30.23 0.7 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.309 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.477 ' C ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -164.34 131.26 3.14 Favored 'General case' 0 C--O 1.25 1.086 0 CA-C-O 118.054 -0.974 . . . . 0.0 111.17 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 1 O-C-N 74.403 -30.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.799 0.333 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -64.35 87.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.514 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -158.86 -36.3 0.06 Allowed 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 107.003 -1.481 . . . . 0.0 107.003 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.905 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 10.2 m-85 -150.36 152.58 33.41 Favored Pre-proline 0 N--CA 1.426 -1.645 0 CA-C-N 113.403 -1.726 . . . . 0.0 108.092 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.521 ' HG2' ' CE2' ' A' ' 7' ' ' TRP . 2.8 Cg_exo -79.44 -67.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.99 0 C-N-CA 124.293 3.328 . . . . 0.0 110.148 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.507 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 15.1 p-90 -179.69 -41.3 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 113.144 -1.844 . . . . 0.0 107.474 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.756 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 40.0 p-90 -83.9 -23.29 31.27 Favored 'General case' 0 CA--C 1.493 -1.213 0 CA-C-N 114.078 -1.419 . . . . 0.0 110.701 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.769 ' HE1' ' HE2' ' A' ' 12' ' ' LYS . 2.2 t90 -74.0 -42.89 6.06 Favored Pre-proline 0 N--CA 1.433 -1.322 0 C-N-CA 118.45 -1.3 . . . . 0.0 111.878 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.905 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 84.4 Cg_exo -38.73 -18.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.322 2.015 . . . . 0.0 109.929 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.756 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 7.8 m-85 -74.42 -59.35 2.77 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 112.45 -2.159 . . . . 0.0 111.239 177.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.596 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 19.5 mt -60.2 63.75 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 113.696 -1.593 . . . . 0.0 112.099 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.769 ' HE2' ' HE1' ' A' ' 8' ' ' TRP . 60.8 mmtt -152.03 32.07 0.54 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.041 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -170.33 0.28 0.02 OUTLIER 'General case' 0 C--O 1.249 1.075 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.951 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 1 O-C-N 113.621 -5.675 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.828 0.347 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 2' ' ' LYS . 61.9 tttp -173.15 45.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.404 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -176.04 26.16 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 1.002 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 15.2 m-85 -143.61 161.35 47.13 Favored Pre-proline 0 N--CA 1.426 -1.638 0 CA-C-N 113.31 -1.768 . . . . 0.0 109.015 -178.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.483 ' HG2' ' CE2' ' A' ' 7' ' ' TRP . 2.5 Cg_endo -81.73 -69.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.177 0 C-N-CA 124.098 3.199 . . . . 0.0 109.504 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.434 ' CH2' ' HB3' ' A' ' 7' ' ' TRP . 21.8 p-90 179.7 -39.89 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 112.737 -2.029 . . . . 0.0 107.029 178.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.815 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 32.0 p-90 -85.86 -18.93 31.44 Favored 'General case' 0 CA--C 1.495 -1.165 0 CA-C-N 113.767 -1.56 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.754 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -70.25 -48.2 19.49 Favored Pre-proline 0 N--CA 1.437 -1.095 0 C-N-CA 118.058 -1.457 . . . . 0.0 111.858 -177.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.002 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 79.2 Cg_exo -33.15 -22.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.937 2.424 . . . . 0.0 110.184 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.815 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.8 m-85 -71.08 -64.02 0.99 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 112.421 -2.172 . . . . 0.0 112.292 176.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.54 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 2.7 mm? -39.55 -42.25 1.13 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 114.364 -1.289 . . . . 0.0 113.849 -177.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.829 ' HE3' ' HA ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -53.52 -47.02 70.3 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.092 -179.311 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -65.93 -59.97 3.32 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 116.757 -3.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.811 0.338 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -148.19 140.42 24.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.795 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -160.77 27.03 0.15 Allowed 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.896 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 44.4 m-85 -142.46 163.95 36.05 Favored Pre-proline 0 N--CA 1.427 -1.584 0 CA-C-N 113.21 -1.814 . . . . 0.0 109.627 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.75 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 3.8 Cg_exo -77.97 -70.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.009 0 C-N-CA 124.218 3.279 . . . . 0.0 109.798 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.51 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 9.2 p-90 -179.81 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.157 -1.838 . . . . 0.0 107.358 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.749 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 45.0 p-90 -86.11 -26.91 24.98 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.606 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.729 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -70.18 -41.88 15.23 Favored Pre-proline 0 N--CA 1.434 -1.247 0 C-N-CA 118.724 -1.191 . . . . 0.0 111.587 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.896 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 97.2 Cg_exo -37.48 -17.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.854 2.369 . . . . 0.0 110.248 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.749 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.5 m-85 -82.84 -61.53 1.84 Allowed 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 112.279 -2.237 . . . . 0.0 112.186 177.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.599 HD12 ' CZ3' ' A' ' 7' ' ' TRP . 40.0 mt -64.68 55.95 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 113.56 -1.655 . . . . 0.0 115.038 -176.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.807 ' HE3' ' HA ' ' A' ' 9' ' ' PRO . 2.8 mptm? -88.78 -39.39 13.95 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.922 177.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -169.52 88.77 0.17 Allowed 'General case' 0 C--O 1.25 1.094 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.938 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 1 O-C-N 86.773 -22.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.82 0.343 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -60.32 137.68 58.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -168.45 -22.25 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.759 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.641 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 63.4 m-85 -140.89 160.07 59.81 Favored Pre-proline 0 N--CA 1.439 -1.004 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.836 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 73.7 Cg_exo -55.79 -80.18 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.765 2.31 . . . . 0.0 113.056 -178.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.547 ' HA ' ' HG2' ' A' ' 9' ' ' PRO . 50.1 p-90 -179.69 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.618 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 56.3 p-90 -72.51 -31.58 65.46 Favored 'General case' 0 CA--C 1.492 -1.288 0 CA-C-N 114.031 -1.44 . . . . 0.0 108.317 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.836 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 1.7 t90 -70.96 -55.66 6.41 Favored Pre-proline 0 N--CA 1.425 -1.677 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.04 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.641 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 29.9 Cg_exo -28.87 -30.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.457 2.772 . . . . 0.0 110.794 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.67 ' N ' ' O ' ' A' ' 8' ' ' TRP . 3.0 m-85 -58.26 -65.63 0.62 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.056 -1.884 . . . . 0.0 110.498 175.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 8' ' ' TRP . 13.8 mt -43.02 -26.89 0.16 Allowed 'General case' 0 C--O 1.231 0.097 0 CA-C-N 113.177 -1.829 . . . . 0.0 112.076 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -75.5 51.26 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 111.211 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.561 ' NZ ' ' HB2' ' A' ' 13' ' ' LYS . 4.9 ttmp? -166.83 -77.4 0.02 OUTLIER 'General case' 0 C--O 1.249 1.079 0 CA-C-O 118.102 -0.952 . . . . 0.0 110.931 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 1 O-C-N 83.415 -24.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.734 0.302 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.535 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 88.1 tttt -61.84 131.66 50.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.737 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 2' ' ' LYS . 41.6 mmtm -164.92 29.77 0.06 Allowed 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 1.018 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 3.7 m-85 -141.58 162.08 48.79 Favored Pre-proline 0 N--CA 1.426 -1.632 0 CA-C-N 113.845 -1.525 . . . . 0.0 108.94 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.637 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 97.9 Cg_endo -94.73 -64.82 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 124.24 3.293 . . . . 0.0 110.91 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.562 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 22.9 p-90 179.41 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.284 -1.78 . . . . 0.0 107.231 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.728 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 33.9 p-90 -82.64 -23.65 34.16 Favored 'General case' 0 CA--C 1.491 -1.321 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.624 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.702 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -71.96 -49.77 9.99 Favored Pre-proline 0 N--CA 1.427 -1.622 0 C-N-CA 118.184 -1.406 . . . . 0.0 111.647 -177.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.018 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 86.1 Cg_exo -32.18 -26.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.097 2.531 . . . . 0.0 110.402 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.728 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.4 m-85 -67.74 -65.48 0.68 Allowed 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 112.577 -2.101 . . . . 0.0 111.794 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 8' ' ' TRP . 42.6 mt -39.91 -35.61 0.37 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 113.237 -1.802 . . . . 0.0 114.127 -178.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.806 ' HE3' ' HA ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -59.36 -41.3 88.94 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.078 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -55.52 -106.04 0.0 OUTLIER 'General case' 0 C--O 1.248 1.018 0 CA-C-O 118.115 -0.945 . . . . 0.0 111.016 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 1 O-C-N 70.374 -32.704 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.0 m . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.923 0.392 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -122.35 -43.68 2.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 27.6 tptp -175.64 27.84 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.912 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 6.7 m-85 -144.84 160.93 45.26 Favored Pre-proline 0 N--CA 1.429 -1.52 0 CA-C-N 113.636 -1.62 . . . . 0.0 110.081 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.644 ' CD ' ' HB3' ' A' ' 8' ' ' TRP . 3.3 Cg_exo -77.17 -68.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 124.578 3.518 . . . . 0.0 109.247 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.496 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 10.5 p-90 -179.88 -41.07 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 113.21 -1.813 . . . . 0.0 107.649 177.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.762 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 43.9 p-90 -86.23 -22.84 26.67 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 114.099 -1.409 . . . . 0.0 110.767 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.707 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t-105 -72.41 -40.65 7.26 Favored Pre-proline 0 N--CA 1.435 -1.201 0 C-N-CA 118.96 -1.096 . . . . 0.0 112.175 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.912 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 82.5 Cg_exo -37.9 -18.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.566 2.177 . . . . 0.0 109.686 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.762 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 7.9 m-85 -75.24 -62.21 1.64 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 111.949 -2.387 . . . . 0.0 111.617 177.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 8' ' ' TRP . 7.0 mp -42.96 -50.16 5.89 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.592 -178.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -43.74 97.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.678 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.787 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -60.21 130.46 46.76 Favored 'General case' 0 C--O 1.249 1.057 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.945 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 O-C-N 120.368 -1.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.93 0.395 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -71.06 120.37 16.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.122 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -176.16 -31.23 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.173 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.679 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 79.2 m-85 -141.47 160.95 55.01 Favored Pre-proline 0 N--CA 1.442 -0.849 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.194 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.829 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 87.4 Cg_exo -54.14 -79.09 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.96 2.44 . . . . 0.0 112.793 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.489 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 32.9 p-90 -178.73 -47.63 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.654 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 52.3 p-90 -74.97 -29.82 61.02 Favored 'General case' 0 CA--C 1.489 -1.389 0 CA-C-N 114.433 -1.258 . . . . 0.0 108.303 178.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.829 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 1.9 t90 -70.8 -53.32 9.17 Favored Pre-proline 0 N--CA 1.425 -1.677 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.04 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.679 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 43.9 Cg_exo -30.22 -29.69 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.247 2.631 . . . . 0.0 110.546 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.673 ' N ' ' O ' ' A' ' 8' ' ' TRP . 2.9 m-85 -62.3 -62.56 1.68 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 113.17 -1.832 . . . . 0.0 110.278 175.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.646 ' N ' ' O ' ' A' ' 8' ' ' TRP . 18.8 mt -58.47 67.57 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 113.102 -1.863 . . . . 0.0 111.807 -179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' PHE . 25.5 ttpp -171.45 39.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.189 0.518 . . . . 0.0 110.58 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HD3' ' C ' ' A' ' 13' ' ' LYS . 12.9 tmtt? -60.67 -39.43 88.37 Favored 'General case' 0 C--O 1.249 1.06 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.46 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 O-C-N 121.085 -1.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.851 0.358 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -66.07 -53.81 33.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -175.34 -22.95 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.442 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.527 ' CZ ' ' HE2' ' A' ' 12' ' ' LYS . 91.8 m-85 -144.5 164.48 28.13 Favored Pre-proline 0 N--CA 1.443 -0.791 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.888 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.76 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 80.2 Cg_exo -51.8 -81.41 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.679 2.252 . . . . 0.0 112.766 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.581 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 39.8 p-90 -178.53 -45.16 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.669 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 45.9 p-90 -76.85 -26.22 54.04 Favored 'General case' 0 CA--C 1.492 -1.288 0 CA-C-N 114.248 -1.342 . . . . 0.0 108.519 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.76 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 1.9 t90 -71.8 -50.24 10.0 Favored Pre-proline 0 N--CA 1.428 -1.565 0 C-N-CA 119.366 -0.934 . . . . 0.0 111.737 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.581 ' HD2' ' C ' ' A' ' 6' ' ' TRP . 48.8 Cg_exo -33.75 -24.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.1 2.533 . . . . 0.0 110.711 -178.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.686 ' N ' ' O ' ' A' ' 8' ' ' TRP . 24.3 m-85 -68.68 -63.58 1.03 Allowed 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 112.723 -2.035 . . . . 0.0 110.847 176.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.588 HD12 ' HZ3' ' A' ' 7' ' ' TRP . 20.7 mt -62.0 68.02 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 113.294 -1.775 . . . . 0.0 112.659 -178.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.527 ' HE2' ' CZ ' ' A' ' 4' ' ' PHE . 31.3 mmtp -115.17 -45.97 2.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.545 0.212 . . . . 0.0 111.33 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -63.08 -72.27 0.14 Allowed 'General case' 0 C--O 1.249 1.063 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.827 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 1 O-C-N 109.69 -8.131 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.507 ' O ' HG22 ' A' ' 1' ' ' VAL . 12.0 p . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 121.394 0.616 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -112.9 48.21 1.04 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.982 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.426 ' H ' ' H ' ' A' ' 4' ' ' PHE . 28.0 tptp -172.6 -14.72 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.987 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 5.2 m-85 -143.28 161.42 47.78 Favored Pre-proline 0 N--CA 1.426 -1.654 0 CA-C-N 114.091 -1.413 . . . . 0.0 108.578 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.556 ' CG ' ' H ' ' A' ' 6' ' ' TRP . 72.6 Cg_endo -92.81 -64.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.323 0 C-N-CA 124.34 3.36 . . . . 0.0 110.144 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.556 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 21.6 p-90 179.1 -40.34 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.225 -1.807 . . . . 0.0 106.833 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.821 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 32.1 p-90 -86.8 -16.52 35.97 Favored 'General case' 0 CA--C 1.491 -1.319 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.577 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.724 ' O ' ' N ' ' A' ' 10' ' ' PHE . 6.5 t-105 -70.73 -50.31 13.38 Favored Pre-proline 0 N--CA 1.43 -1.425 0 C-N-CA 117.266 -1.774 . . . . 0.0 111.603 -177.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.987 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 85.4 Cg_exo -31.61 -25.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.259 2.639 . . . . 0.0 110.113 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.821 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 2.5 m-85 -56.79 -65.3 0.64 Allowed 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 112.776 -2.011 . . . . 0.0 110.991 175.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 8' ' ' TRP . 3.9 mp -57.74 69.98 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.607 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.665 ' HE2' ' HE1' ' A' ' 8' ' ' TRP . 72.0 mmtt -148.54 -65.07 0.24 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.712 0.292 . . . . 0.0 111.423 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.454 ' C ' ' HD2' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -76.82 111.4 12.31 Favored 'General case' 0 C--O 1.248 1.026 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.537 -179.629 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 1 O-C-N 82.932 -24.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.464 HG13 ' HG3' ' A' ' 2' ' ' LYS . 6.2 p . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.727 0.298 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HG3' HG13 ' A' ' 1' ' ' VAL . 97.2 mttt -81.21 136.36 35.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -175.21 43.6 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.563 0.697 . . . . 0.0 109.271 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -140.73 156.36 68.99 Favored Pre-proline 0 N--CA 1.442 -0.851 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.709 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.808 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 36.9 Cg_exo -65.3 -140.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.329 -0.454 0 C-N-CA 123.404 2.736 . . . . 0.0 111.997 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.538 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 48.2 p-90 -117.1 -39.9 3.17 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.56 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 61.9 p-90 -73.95 -34.95 64.49 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.541 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.808 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 2.0 t90 -68.73 -47.7 32.57 Favored Pre-proline 0 N--CA 1.436 -1.139 0 C-N-CA 119.471 -0.891 . . . . 0.0 111.792 -178.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 48.2 Cg_exo -34.55 -22.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.412 2.741 . . . . 0.0 111.565 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.663 ' N ' ' O ' ' A' ' 8' ' ' TRP . 2.8 m-85 -71.23 -62.12 1.52 Allowed 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 113.066 -1.879 . . . . 0.0 111.299 177.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 8' ' ' TRP . 21.5 mt -42.11 -20.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 113.125 -1.852 . . . . 0.0 113.79 -178.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.533 ' HD3' ' O ' ' A' ' 9' ' ' PRO . 5.0 mptp? -50.82 -41.22 57.23 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.187 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -58.99 -27.74 65.7 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 118.05 -0.976 . . . . 0.0 111.114 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 O-C-N 120.603 -1.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.66 0.267 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.583 ' HB3' ' NZ ' ' A' ' 2' ' ' LYS . 8.9 mtpm? -62.88 115.99 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 0.0 111.215 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.436 ' H ' ' H ' ' A' ' 4' ' ' PHE . 55.0 tptt -176.08 -20.78 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.921 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 25.1 m-85 -145.1 152.33 50.82 Favored Pre-proline 0 N--CA 1.419 -2.014 0 CA-C-N 113.302 -1.772 . . . . 0.0 108.184 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.611 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 6.3 Cg_exo -83.55 -67.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.135 0 C-N-CA 124.717 3.611 . . . . 0.0 110.089 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.475 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 12.5 p-90 -179.64 -44.8 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.195 -1.821 . . . . 0.0 107.583 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.657 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 44.5 p-90 -80.1 -31.93 39.18 Favored 'General case' 0 CA--C 1.484 -1.596 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.813 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.874 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -59.11 -51.84 78.89 Favored Pre-proline 0 N--CA 1.422 -1.833 0 C-N-CA 117.716 -1.593 . . . . 0.0 109.11 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.921 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 27.6 Cg_exo -46.96 66.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.37 1.677 0 C-N-CA 123.534 2.823 . . . . 0.0 107.857 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.874 ' N ' ' O ' ' A' ' 8' ' ' TRP 0.284 1.5 m-85 -167.02 -64.52 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 112.067 -2.333 . . . . 0.0 108.946 -172.542 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 8' ' ' TRP . 16.2 mt -49.92 -35.56 24.33 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 111.703 -2.499 . . . . 0.0 112.831 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.443 ' HG3' ' HE1' ' A' ' 4' ' ' PHE . 74.4 mmtt -61.48 -47.46 85.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.692 0.282 . . . . 0.0 111.25 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.89 -5.18 8.41 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-O 118.008 -0.996 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 O-C-N 119.516 -1.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.562 HG13 ' HG2' ' A' ' 2' ' ' LYS . 8.5 p . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.771 0.319 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.562 ' HG2' HG13 ' A' ' 1' ' ' VAL . 8.7 ptpp? -168.16 38.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 2' ' ' LYS . 29.1 mmmt -167.33 27.09 0.03 OUTLIER 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.939 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 46.3 m-85 -141.85 164.57 33.44 Favored Pre-proline 0 N--CA 1.428 -1.526 0 CA-C-N 113.082 -1.872 . . . . 0.0 109.238 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.93 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 4.6 Cg_exo -76.75 -71.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 124.174 3.249 . . . . 0.0 109.847 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.446 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 9.2 p-90 179.9 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.315 -1.766 . . . . 0.0 107.685 177.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.725 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 51.3 p-90 -83.57 -30.92 26.63 Favored 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.254 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.711 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 2.1 t90 -69.61 -44.53 24.5 Favored Pre-proline 0 N--CA 1.434 -1.268 0 C-N-CA 119.511 -0.876 . . . . 0.0 111.596 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.939 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 56.0 Cg_exo -37.63 -17.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.289 2.66 . . . . 0.0 110.681 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.725 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.5 m-85 -74.66 -58.73 3.1 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 112.37 -2.195 . . . . 0.0 110.968 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 8' ' ' TRP . 10.1 mt -53.27 -0.39 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 113.339 -1.755 . . . . 0.0 111.981 -179.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.528 ' HZ1' ' HE1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -131.78 52.9 2.03 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.971 0.415 . . . . 0.0 110.605 179.233 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -162.91 95.37 0.87 Allowed 'General case' 0 C--O 1.249 1.036 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 1 O-C-N 96.008 -16.683 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.814 0.34 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -64.93 -43.94 91.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.289 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -175.73 34.14 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 1.019 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 64.2 m-85 -144.71 166.14 19.72 Favored Pre-proline 0 N--CA 1.429 -1.519 0 CA-C-N 113.508 -1.678 . . . . 0.0 110.233 -177.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.787 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 4.2 Cg_exo -80.69 -69.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.924 0 C-N-CA 124.447 3.431 . . . . 0.0 109.409 178.203 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.489 ' O ' ' HG2' ' A' ' 9' ' ' PRO . 6.3 p-90 179.99 -44.44 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.429 -1.714 . . . . 0.0 108.059 177.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.688 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 44.8 p-90 -83.78 -32.02 25.61 Favored 'General case' 0 CA--C 1.486 -1.518 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.268 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.811 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.3 t-105 -60.21 -48.36 94.4 Favored Pre-proline 0 N--CA 1.426 -1.651 0 C-N-CA 118.449 -1.3 . . . . 0.0 110.426 -178.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 1.019 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 1.3 Cg_endo -53.58 68.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.364 1.395 0 C-N-CA 123.139 2.559 . . . . 0.0 106.814 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.811 ' N ' ' O ' ' A' ' 8' ' ' TRP 0.306 0.4 OUTLIER -165.91 -64.93 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 111.15 -2.75 . . . . 0.0 109.095 -171.923 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 8' ' ' TRP . 11.8 mt -50.54 -14.99 0.21 Allowed 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 111.765 -2.471 . . . . 0.0 111.571 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.629 ' HD3' ' HE1' ' A' ' 4' ' ' PHE . 31.6 mmmt -67.52 -125.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.974 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -60.51 -13.96 16.89 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 1 O-C-N 102.672 -12.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 121.016 0.436 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -169.21 48.47 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.497 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.796 ' HA ' ' HE3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -175.42 35.87 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.701 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.642 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 53.1 m-85 -144.94 161.2 43.81 Favored Pre-proline 0 N--CA 1.439 -0.98 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.305 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.87 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 74.8 Cg_exo -55.25 -79.07 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.909 2.406 . . . . 0.0 112.097 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.483 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 39.9 p-90 -179.38 -48.16 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.689 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 54.5 p-90 -74.6 -25.42 59.24 Favored 'General case' 0 CA--C 1.492 -1.258 0 CA-C-N 114.203 -1.362 . . . . 0.0 108.439 178.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.902 ' HA ' HD13 ' A' ' 11' ' ' LEU . 2.1 t-105 -70.24 -56.1 7.29 Favored Pre-proline 0 N--CA 1.43 -1.431 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.974 -177.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.642 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 49.9 Cg_exo -31.06 -27.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.937 3.091 . . . . 0.0 111.012 -178.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.689 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.3 m-85 -58.61 -64.27 0.99 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.547 -2.115 . . . . 0.0 111.415 176.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.902 HD13 ' HA ' ' A' ' 8' ' ' TRP . 9.6 mp -34.16 -38.22 0.06 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 113.241 -1.799 . . . . 0.0 111.963 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.663 ' HA ' ' HE2' ' A' ' 12' ' ' LYS . 7.8 mmpt? -75.72 -51.9 11.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.453 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -150.71 94.12 2.04 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.717 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 1 O-C-N 104.285 -11.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.874 0.368 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -144.65 47.79 1.35 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.697 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.455 ' H ' ' H ' ' A' ' 4' ' ' PHE . 27.8 tptp -174.03 -0.78 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.942 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 5.0 m-85 -148.39 158.81 40.35 Favored Pre-proline 0 N--CA 1.426 -1.635 0 CA-C-N 114.024 -1.443 . . . . 0.0 108.179 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.727 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 98.8 Cg_endo -94.8 -63.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.426 3.418 . . . . 0.0 110.934 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.545 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 14.9 p-90 179.62 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 113.477 -1.692 . . . . 0.0 107.074 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.709 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 34.4 p-90 -83.65 -22.14 32.24 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-N 113.879 -1.51 . . . . 0.0 111.602 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.68 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -74.1 -46.09 6.42 Favored Pre-proline 0 N--CA 1.43 -1.462 0 C-N-CA 118.134 -1.427 . . . . 0.0 112.048 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.942 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 79.2 Cg_exo -35.75 -22.61 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.796 2.331 . . . . 0.0 110.334 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.709 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.0 m-85 -72.79 -66.18 0.7 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 112.267 -2.242 . . . . 0.0 111.466 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 8' ' ' TRP . 36.2 mt -47.44 -36.88 10.58 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 113.841 -1.527 . . . . 0.0 112.354 -178.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -56.35 -44.89 80.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -64.91 4.27 0.45 Allowed 'General case' 0 C--O 1.249 1.073 0 CA-C-O 118.049 -0.977 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 1 O-C-N 106.498 -10.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.933 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 6.9 m-85 . . . . . 0 N--CA 1.433 -1.303 0 CA-C-O 121.414 0.626 . . . . 0.0 109.49 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.87 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 91.1 Cg_endo -91.16 -63.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 123.955 3.103 . . . . 0.0 110.373 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.542 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 11.6 p-90 179.58 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.749 -1.569 . . . . 0.0 107.206 177.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.746 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 37.6 p-90 -85.79 -23.07 27.37 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 113.967 -1.47 . . . . 0.0 111.565 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.656 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -73.85 -41.67 5.67 Favored Pre-proline 0 N--CA 1.43 -1.449 0 C-N-CA 118.392 -1.323 . . . . 0.0 111.622 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.933 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 84.6 Cg_exo -38.69 -20.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.43 2.086 . . . . 0.0 109.989 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.746 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 9.0 m-85 -74.11 -59.1 2.88 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 112.545 -2.116 . . . . 0.0 111.421 177.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.603 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 19.6 mt . . . . . 0 CA--C 1.531 0.225 0 CA-C-N 113.564 -1.653 . . . . 0.0 112.477 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.986 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 37.1 m-85 . . . . . 0 N--CA 1.43 -1.425 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.735 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 2.9 Cg_endo -80.91 -69.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.04 0 C-N-CA 123.93 3.087 . . . . 0.0 109.624 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.434 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 8.7 p-90 -179.93 -43.26 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.196 -1.82 . . . . 0.0 107.578 177.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.759 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 42.1 p-90 -82.71 -25.62 32.78 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-N 114.062 -1.427 . . . . 0.0 110.818 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.714 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -71.46 -45.62 13.31 Favored Pre-proline 0 N--CA 1.432 -1.326 0 C-N-CA 118.678 -1.209 . . . . 0.0 111.856 -178.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.986 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 80.6 Cg_exo -34.75 -22.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.902 2.401 . . . . 0.0 110.072 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.759 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.3 m-85 -71.17 -61.39 1.78 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 112.268 -2.242 . . . . 0.0 111.241 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.599 ' N ' ' O ' ' A' ' 8' ' ' TRP . 29.4 mt . . . . . 0 CA--C 1.533 0.293 0 CA-C-N 113.463 -1.699 . . . . 0.0 112.992 -178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 1.017 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 37.5 m-85 . . . . . 0 N--CA 1.425 -1.717 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.663 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 4.7 Cg_exo -81.7 -69.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 124.353 3.368 . . . . 0.0 109.753 179.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.421 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 14.1 p-90 179.63 -43.03 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 113.111 -1.859 . . . . 0.0 107.88 177.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.75 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 41.1 p-90 -82.37 -24.97 34.21 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.625 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.692 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -71.57 -47.6 12.63 Favored Pre-proline 0 N--CA 1.433 -1.317 0 C-N-CA 118.973 -1.091 . . . . 0.0 111.998 -178.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.017 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 79.7 Cg_exo -33.69 -24.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.96 2.44 . . . . 0.0 109.975 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.75 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 4.3 m-85 -67.88 -64.58 0.83 Allowed 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 112.05 -2.341 . . . . 0.0 110.974 176.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.6 ' N ' ' O ' ' A' ' 8' ' ' TRP . 18.1 mt . . . . . 0 CA--C 1.53 0.193 0 CA-C-N 113.186 -1.825 . . . . 0.0 112.596 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.941 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 64.7 m-85 . . . . . 0 N--CA 1.43 -1.451 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.71 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 6.3 Cg_exo -79.48 -70.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.145 0 C-N-CA 124.0 3.133 . . . . 0.0 109.553 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.413 ' CZ3' ' HB3' ' A' ' 7' ' ' TRP . 12.9 p-90 179.92 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.036 -1.893 . . . . 0.0 107.417 177.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.753 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 41.3 p-90 -86.59 -22.24 26.37 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.006 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.681 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -73.65 -44.39 7.06 Favored Pre-proline 0 N--CA 1.436 -1.173 0 C-N-CA 118.624 -1.23 . . . . 0.0 112.225 -177.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.941 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 91.7 Cg_exo -37.47 -20.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.568 2.178 . . . . 0.0 109.924 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.753 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 6.2 m-85 -74.31 -61.8 1.74 Allowed 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 112.136 -2.302 . . . . 0.0 111.595 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.624 HD12 ' HZ3' ' A' ' 7' ' ' TRP . 47.3 mt . . . . . 0 N--CA 1.463 0.202 0 CA-C-N 113.68 -1.6 . . . . 0.0 113.351 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.955 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 20.9 m-85 . . . . . 0 N--CA 1.433 -1.309 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.809 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 82.2 Cg_endo -91.8 -64.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.057 3.171 . . . . 0.0 110.234 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.536 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 16.9 p-90 179.35 -39.59 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 113.6 -1.636 . . . . 0.0 107.417 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.737 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 36.1 p-90 -86.5 -21.17 27.12 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-N 113.948 -1.478 . . . . 0.0 111.648 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.644 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -75.49 -43.04 4.15 Favored Pre-proline 0 N--CA 1.432 -1.346 0 C-N-CA 118.305 -1.358 . . . . 0.0 111.883 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.955 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 86.6 Cg_exo -38.95 -20.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.508 2.139 . . . . 0.0 110.083 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.737 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.2 m-85 -72.05 -58.69 3.22 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 112.382 -2.19 . . . . 0.0 111.092 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.575 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 17.3 mt . . . . . 0 CA--C 1.531 0.235 0 CA-C-N 113.584 -1.644 . . . . 0.0 111.912 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.905 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 10.2 m-85 . . . . . 0 N--CA 1.426 -1.645 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.521 ' HG2' ' CE2' ' A' ' 7' ' ' TRP . 2.8 Cg_exo -79.44 -67.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.99 0 C-N-CA 124.293 3.328 . . . . 0.0 110.148 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.507 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 15.1 p-90 -179.69 -41.3 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 113.144 -1.844 . . . . 0.0 107.474 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.756 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 40.0 p-90 -83.9 -23.29 31.27 Favored 'General case' 0 CA--C 1.493 -1.213 0 CA-C-N 114.078 -1.419 . . . . 0.0 110.701 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.688 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -74.0 -42.89 6.06 Favored Pre-proline 0 N--CA 1.433 -1.322 0 C-N-CA 118.45 -1.3 . . . . 0.0 111.878 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.905 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 84.4 Cg_exo -38.73 -18.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.322 2.015 . . . . 0.0 109.929 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.756 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 7.8 m-85 -74.42 -59.35 2.77 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 112.45 -2.159 . . . . 0.0 111.239 177.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.596 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 19.5 mt . . . . . 0 CA--C 1.532 0.256 0 CA-C-N 113.696 -1.593 . . . . 0.0 112.099 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 1.002 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 15.2 m-85 . . . . . 0 N--CA 1.426 -1.638 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.483 ' HG2' ' CE2' ' A' ' 7' ' ' TRP . 2.5 Cg_endo -81.73 -69.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.177 0 C-N-CA 124.098 3.199 . . . . 0.0 109.504 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.434 ' CH2' ' HB3' ' A' ' 7' ' ' TRP . 21.8 p-90 179.7 -39.89 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 112.737 -2.029 . . . . 0.0 107.029 178.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.815 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 32.0 p-90 -85.86 -18.93 31.44 Favored 'General case' 0 CA--C 1.495 -1.165 0 CA-C-N 113.767 -1.56 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.754 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -70.25 -48.2 19.49 Favored Pre-proline 0 N--CA 1.437 -1.095 0 C-N-CA 118.058 -1.457 . . . . 0.0 111.858 -177.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.002 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 79.2 Cg_exo -33.15 -22.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.937 2.424 . . . . 0.0 110.184 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.815 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.8 m-85 -71.08 -64.02 0.99 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 112.421 -2.172 . . . . 0.0 112.292 176.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.54 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 2.7 mm? . . . . . 0 N--CA 1.467 0.409 0 CA-C-N 114.364 -1.289 . . . . 0.0 113.849 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.896 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 44.4 m-85 . . . . . 0 N--CA 1.427 -1.584 0 CA-C-O 121.637 0.732 . . . . 0.0 109.627 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.75 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 3.8 Cg_exo -77.97 -70.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.009 0 C-N-CA 124.218 3.279 . . . . 0.0 109.798 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.51 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 9.2 p-90 -179.81 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.157 -1.838 . . . . 0.0 107.358 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.749 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 45.0 p-90 -86.11 -26.91 24.98 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.606 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.729 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -70.18 -41.88 15.23 Favored Pre-proline 0 N--CA 1.434 -1.247 0 C-N-CA 118.724 -1.191 . . . . 0.0 111.587 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.896 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 97.2 Cg_exo -37.48 -17.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.854 2.369 . . . . 0.0 110.248 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.749 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.5 m-85 -82.84 -61.53 1.84 Allowed 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 112.279 -2.237 . . . . 0.0 112.186 177.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.599 HD12 ' CZ3' ' A' ' 7' ' ' TRP . 40.0 mt . . . . . 0 N--CA 1.466 0.346 0 CA-C-N 113.56 -1.655 . . . . 0.0 115.038 -176.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.641 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 63.4 m-85 . . . . . 0 N--CA 1.439 -1.004 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.836 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 73.7 Cg_exo -55.79 -80.18 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.765 2.31 . . . . 0.0 113.056 -178.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.547 ' HA ' ' HG2' ' A' ' 9' ' ' PRO . 50.1 p-90 -179.69 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.618 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 56.3 p-90 -72.51 -31.58 65.46 Favored 'General case' 0 CA--C 1.492 -1.288 0 CA-C-N 114.031 -1.44 . . . . 0.0 108.317 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.836 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 1.7 t90 -70.96 -55.66 6.41 Favored Pre-proline 0 N--CA 1.425 -1.677 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.04 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.641 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 29.9 Cg_exo -28.87 -30.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.457 2.772 . . . . 0.0 110.794 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.67 ' N ' ' O ' ' A' ' 8' ' ' TRP . 3.0 m-85 -58.26 -65.63 0.62 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.056 -1.884 . . . . 0.0 110.498 175.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 8' ' ' TRP . 13.8 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-N 113.177 -1.829 . . . . 0.0 112.076 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 1.018 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 3.7 m-85 . . . . . 0 N--CA 1.426 -1.632 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.637 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 97.9 Cg_endo -94.73 -64.82 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 124.24 3.293 . . . . 0.0 110.91 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.562 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 22.9 p-90 179.41 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.284 -1.78 . . . . 0.0 107.231 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.728 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 33.9 p-90 -82.64 -23.65 34.16 Favored 'General case' 0 CA--C 1.491 -1.321 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.624 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.702 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -71.96 -49.77 9.99 Favored Pre-proline 0 N--CA 1.427 -1.622 0 C-N-CA 118.184 -1.406 . . . . 0.0 111.647 -177.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.018 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 86.1 Cg_exo -32.18 -26.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.097 2.531 . . . . 0.0 110.402 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.728 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.4 m-85 -67.74 -65.48 0.68 Allowed 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 112.577 -2.101 . . . . 0.0 111.794 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 8' ' ' TRP . 42.6 mt . . . . . 0 CA--C 1.531 0.223 0 CA-C-N 113.237 -1.802 . . . . 0.0 114.127 -178.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.912 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 6.7 m-85 . . . . . 0 N--CA 1.429 -1.52 0 CA-C-O 121.72 0.771 . . . . 0.0 110.081 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.644 ' CD ' ' HB3' ' A' ' 8' ' ' TRP . 3.3 Cg_exo -77.17 -68.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 124.578 3.518 . . . . 0.0 109.247 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.496 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 10.5 p-90 -179.88 -41.07 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 113.21 -1.813 . . . . 0.0 107.649 177.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.762 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 43.9 p-90 -86.23 -22.84 26.67 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 114.099 -1.409 . . . . 0.0 110.767 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.707 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t-105 -72.41 -40.65 7.26 Favored Pre-proline 0 N--CA 1.435 -1.201 0 C-N-CA 118.96 -1.096 . . . . 0.0 112.175 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.912 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 82.5 Cg_exo -37.9 -18.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.566 2.177 . . . . 0.0 109.686 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.762 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 7.9 m-85 -75.24 -62.21 1.64 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 111.949 -2.387 . . . . 0.0 111.617 177.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 8' ' ' TRP . 7.0 mp . . . . . 0 C--N 1.34 0.168 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.592 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.679 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 79.2 m-85 . . . . . 0 N--CA 1.442 -0.849 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.829 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 87.4 Cg_exo -54.14 -79.09 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.96 2.44 . . . . 0.0 112.793 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.489 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 32.9 p-90 -178.73 -47.63 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.654 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 52.3 p-90 -74.97 -29.82 61.02 Favored 'General case' 0 CA--C 1.489 -1.389 0 CA-C-N 114.433 -1.258 . . . . 0.0 108.303 178.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.829 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 1.9 t90 -70.8 -53.32 9.17 Favored Pre-proline 0 N--CA 1.425 -1.677 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.04 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.679 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 43.9 Cg_exo -30.22 -29.69 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.247 2.631 . . . . 0.0 110.546 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.673 ' N ' ' O ' ' A' ' 8' ' ' TRP . 2.9 m-85 -62.3 -62.56 1.68 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 113.17 -1.832 . . . . 0.0 110.278 175.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.646 ' N ' ' O ' ' A' ' 8' ' ' TRP . 18.8 mt . . . . . 0 CA--C 1.531 0.221 0 CA-C-N 113.102 -1.863 . . . . 0.0 111.807 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 . . . . . 0 N--CA 1.443 -0.791 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.76 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 80.2 Cg_exo -51.8 -81.41 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.679 2.252 . . . . 0.0 112.766 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.581 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 39.8 p-90 -178.53 -45.16 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.669 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 45.9 p-90 -76.85 -26.22 54.04 Favored 'General case' 0 CA--C 1.492 -1.288 0 CA-C-N 114.248 -1.342 . . . . 0.0 108.519 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.76 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 1.9 t90 -71.8 -50.24 10.0 Favored Pre-proline 0 N--CA 1.428 -1.565 0 C-N-CA 119.366 -0.934 . . . . 0.0 111.737 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.581 ' HD2' ' C ' ' A' ' 6' ' ' TRP . 48.8 Cg_exo -33.75 -24.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.1 2.533 . . . . 0.0 110.711 -178.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.686 ' N ' ' O ' ' A' ' 8' ' ' TRP . 24.3 m-85 -68.68 -63.58 1.03 Allowed 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 112.723 -2.035 . . . . 0.0 110.847 176.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.588 HD12 ' HZ3' ' A' ' 7' ' ' TRP . 20.7 mt . . . . . 0 CA--C 1.53 0.209 0 CA-C-N 113.294 -1.775 . . . . 0.0 112.659 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.987 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 5.2 m-85 . . . . . 0 N--CA 1.426 -1.654 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.556 ' CG ' ' H ' ' A' ' 6' ' ' TRP . 72.6 Cg_endo -92.81 -64.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.323 0 C-N-CA 124.34 3.36 . . . . 0.0 110.144 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.556 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 21.6 p-90 179.1 -40.34 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.225 -1.807 . . . . 0.0 106.833 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.821 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 32.1 p-90 -86.8 -16.52 35.97 Favored 'General case' 0 CA--C 1.491 -1.319 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.577 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.724 ' O ' ' N ' ' A' ' 10' ' ' PHE . 6.5 t-105 -70.73 -50.31 13.38 Favored Pre-proline 0 N--CA 1.43 -1.425 0 C-N-CA 117.266 -1.774 . . . . 0.0 111.603 -177.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.987 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 85.4 Cg_exo -31.61 -25.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.259 2.639 . . . . 0.0 110.113 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.821 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 2.5 m-85 -56.79 -65.3 0.64 Allowed 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 112.776 -2.011 . . . . 0.0 110.991 175.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 8' ' ' TRP . 3.9 mp . . . . . 0 CA--C 1.533 0.3 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.607 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.442 -0.851 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.808 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 36.9 Cg_exo -65.3 -140.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.329 -0.454 0 C-N-CA 123.404 2.736 . . . . 0.0 111.997 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.538 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 48.2 p-90 -117.1 -39.9 3.17 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.56 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 61.9 p-90 -73.95 -34.95 64.49 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.541 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.808 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 2.0 t90 -68.73 -47.7 32.57 Favored Pre-proline 0 N--CA 1.436 -1.139 0 C-N-CA 119.471 -0.891 . . . . 0.0 111.792 -178.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 48.2 Cg_exo -34.55 -22.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.412 2.741 . . . . 0.0 111.565 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.663 ' N ' ' O ' ' A' ' 8' ' ' TRP . 2.8 m-85 -71.23 -62.12 1.52 Allowed 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 113.066 -1.879 . . . . 0.0 111.299 177.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 8' ' ' TRP . 21.5 mt . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 113.125 -1.852 . . . . 0.0 113.79 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.921 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 25.1 m-85 . . . . . 0 N--CA 1.419 -2.014 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.611 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 6.3 Cg_exo -83.55 -67.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.135 0 C-N-CA 124.717 3.611 . . . . 0.0 110.089 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.475 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 12.5 p-90 -179.64 -44.8 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.195 -1.821 . . . . 0.0 107.583 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.657 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 44.5 p-90 -80.1 -31.93 39.18 Favored 'General case' 0 CA--C 1.484 -1.596 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.813 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.874 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -59.11 -51.84 78.89 Favored Pre-proline 0 N--CA 1.422 -1.833 0 C-N-CA 117.716 -1.593 . . . . 0.0 109.11 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.921 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 27.6 Cg_exo -46.96 66.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.37 1.677 0 C-N-CA 123.534 2.823 . . . . 0.0 107.857 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.874 ' N ' ' O ' ' A' ' 8' ' ' TRP 0.284 1.5 m-85 -167.02 -64.52 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 112.067 -2.333 . . . . 0.0 108.946 -172.542 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 8' ' ' TRP . 16.2 mt . . . . . 0 N--CA 1.451 -0.385 0 CA-C-N 111.703 -2.499 . . . . 0.0 112.831 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.939 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 46.3 m-85 . . . . . 0 N--CA 1.428 -1.526 0 CA-C-O 121.553 0.692 . . . . 0.0 109.238 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.93 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 4.6 Cg_exo -76.75 -71.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 124.174 3.249 . . . . 0.0 109.847 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.446 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 9.2 p-90 179.9 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.315 -1.766 . . . . 0.0 107.685 177.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.725 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 51.3 p-90 -83.57 -30.92 26.63 Favored 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.254 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.711 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 2.1 t90 -69.61 -44.53 24.5 Favored Pre-proline 0 N--CA 1.434 -1.268 0 C-N-CA 119.511 -0.876 . . . . 0.0 111.596 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.939 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 56.0 Cg_exo -37.63 -17.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.289 2.66 . . . . 0.0 110.681 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.725 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.5 m-85 -74.66 -58.73 3.1 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 112.37 -2.195 . . . . 0.0 110.968 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 8' ' ' TRP . 10.1 mt . . . . . 0 CA--C 1.532 0.266 0 CA-C-N 113.339 -1.755 . . . . 0.0 111.981 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 1.019 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 64.2 m-85 . . . . . 0 N--CA 1.429 -1.519 0 CA-C-O 121.772 0.796 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.787 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 4.2 Cg_exo -80.69 -69.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.924 0 C-N-CA 124.447 3.431 . . . . 0.0 109.409 178.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.489 ' O ' ' HG2' ' A' ' 9' ' ' PRO . 6.3 p-90 179.99 -44.44 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.429 -1.714 . . . . 0.0 108.059 177.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.688 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 44.8 p-90 -83.78 -32.02 25.61 Favored 'General case' 0 CA--C 1.486 -1.518 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.268 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.811 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.3 t-105 -60.21 -48.36 94.4 Favored Pre-proline 0 N--CA 1.426 -1.651 0 C-N-CA 118.449 -1.3 . . . . 0.0 110.426 -178.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 1.019 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 1.3 Cg_endo -53.58 68.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.364 1.395 0 C-N-CA 123.139 2.559 . . . . 0.0 106.814 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.811 ' N ' ' O ' ' A' ' 8' ' ' TRP 0.306 0.4 OUTLIER -165.91 -64.93 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 111.15 -2.75 . . . . 0.0 109.095 -171.923 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 8' ' ' TRP . 11.8 mt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-N 111.765 -2.471 . . . . 0.0 111.571 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.642 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 53.1 m-85 . . . . . 0 N--CA 1.439 -0.98 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.87 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 74.8 Cg_exo -55.25 -79.07 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.909 2.406 . . . . 0.0 112.097 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.483 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 39.9 p-90 -179.38 -48.16 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.689 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 54.5 p-90 -74.6 -25.42 59.24 Favored 'General case' 0 CA--C 1.492 -1.258 0 CA-C-N 114.203 -1.362 . . . . 0.0 108.439 178.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.902 ' HA ' HD13 ' A' ' 11' ' ' LEU . 2.1 t-105 -70.24 -56.1 7.29 Favored Pre-proline 0 N--CA 1.43 -1.431 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.974 -177.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.642 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 49.9 Cg_exo -31.06 -27.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.937 3.091 . . . . 0.0 111.012 -178.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.689 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.3 m-85 -58.61 -64.27 0.99 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.547 -2.115 . . . . 0.0 111.415 176.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.902 HD13 ' HA ' ' A' ' 8' ' ' TRP . 9.6 mp . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 113.241 -1.799 . . . . 0.0 111.963 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.942 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 5.0 m-85 . . . . . 0 N--CA 1.426 -1.635 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.727 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 98.8 Cg_endo -94.8 -63.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.426 3.418 . . . . 0.0 110.934 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.545 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 14.9 p-90 179.62 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 113.477 -1.692 . . . . 0.0 107.074 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.709 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 34.4 p-90 -83.65 -22.14 32.24 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-N 113.879 -1.51 . . . . 0.0 111.602 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.68 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -74.1 -46.09 6.42 Favored Pre-proline 0 N--CA 1.43 -1.462 0 C-N-CA 118.134 -1.427 . . . . 0.0 112.048 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.942 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 79.2 Cg_exo -35.75 -22.61 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.796 2.331 . . . . 0.0 110.334 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.709 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.0 m-85 -72.79 -66.18 0.7 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 112.267 -2.242 . . . . 0.0 111.466 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 8' ' ' TRP . 36.2 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-N 113.841 -1.527 . . . . 0.0 112.354 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.842 0.353 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.55 ' HD2' ' O ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -63.18 139.42 58.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.805 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 22.8 tptm -175.62 39.37 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.933 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 6.9 m-85 -133.96 167.66 21.77 Favored Pre-proline 0 N--CA 1.433 -1.303 0 CA-C-N 114.089 -1.414 . . . . 0.0 109.49 -178.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.87 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 91.1 Cg_endo -91.16 -63.69 0.01 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 123.955 3.103 . . . . 0.0 110.373 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.542 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 11.6 p-90 179.58 -40.62 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 113.749 -1.569 . . . . 0.0 107.206 177.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.746 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 37.6 p-90 -85.79 -23.07 27.37 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 113.967 -1.47 . . . . 0.0 111.565 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.656 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -73.85 -41.67 5.67 Favored Pre-proline 0 N--CA 1.43 -1.449 0 C-N-CA 118.392 -1.323 . . . . 0.0 111.622 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.933 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 84.6 Cg_exo -38.69 -20.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.43 2.086 . . . . 0.0 109.989 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.746 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 9.0 m-85 -74.11 -59.1 2.88 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 112.545 -2.116 . . . . 0.0 111.421 177.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.603 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 19.6 mt -60.65 62.23 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 113.564 -1.653 . . . . 0.0 112.477 -178.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.631 ' HE3' ' HE1' ' A' ' 4' ' ' PHE . 74.1 mmtt -149.63 31.95 0.72 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.945 0.403 . . . . 0.0 110.166 179.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -163.65 -28.67 0.04 OUTLIER 'General case' 0 C--O 1.249 1.048 0 CA-C-O 118.123 -0.941 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 119.218 0.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 52.7 t . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.743 0.306 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -172.38 -39.38 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -175.16 29.52 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.986 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 37.1 m-85 -146.79 165.14 20.4 Favored Pre-proline 0 N--CA 1.43 -1.425 0 CA-C-N 113.06 -1.882 . . . . 0.0 108.914 -178.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.735 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 2.9 Cg_endo -80.91 -69.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.04 0 C-N-CA 123.93 3.087 . . . . 0.0 109.624 178.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.434 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 8.7 p-90 -179.93 -43.26 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 113.196 -1.82 . . . . 0.0 107.578 177.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.759 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 42.1 p-90 -82.71 -25.62 32.78 Favored 'General case' 0 CA--C 1.493 -1.221 0 CA-C-N 114.062 -1.427 . . . . 0.0 110.818 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.714 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -71.46 -45.62 13.31 Favored Pre-proline 0 N--CA 1.432 -1.326 0 C-N-CA 118.678 -1.209 . . . . 0.0 111.856 -178.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.986 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 80.6 Cg_exo -34.75 -22.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.902 2.401 . . . . 0.0 110.072 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.759 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.3 m-85 -71.17 -61.39 1.78 Allowed 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 112.268 -2.242 . . . . 0.0 111.241 176.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.599 ' N ' ' O ' ' A' ' 8' ' ' TRP . 29.4 mt -58.39 62.14 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 113.463 -1.699 . . . . 0.0 112.992 -178.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.629 ' HE3' ' HE2' ' A' ' 4' ' ' PHE . 73.0 mmtt -149.4 29.66 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.969 0.414 . . . . 0.0 110.072 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -68.58 -14.42 63.0 Favored 'General case' 0 C--O 1.249 1.048 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 1 O-C-N 95.63 -16.919 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.901 0.382 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.504 ' HD3' ' N ' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -62.24 131.35 49.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.609 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.409 ' H ' ' H ' ' A' ' 4' ' ' PHE . 54.3 tptt -176.04 14.73 0.01 OUTLIER 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 1.017 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 37.5 m-85 -149.49 160.04 35.19 Favored Pre-proline 0 N--CA 1.425 -1.717 0 CA-C-N 113.445 -1.707 . . . . 0.0 108.986 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.663 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 4.7 Cg_exo -81.7 -69.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 124.353 3.368 . . . . 0.0 109.753 179.085 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.421 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 14.1 p-90 179.63 -43.03 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 113.111 -1.859 . . . . 0.0 107.88 177.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.75 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 41.1 p-90 -82.37 -24.97 34.21 Favored 'General case' 0 CA--C 1.493 -1.24 0 CA-C-N 114.343 -1.299 . . . . 0.0 110.625 179.689 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.692 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -71.57 -47.6 12.63 Favored Pre-proline 0 N--CA 1.433 -1.317 0 C-N-CA 118.973 -1.091 . . . . 0.0 111.998 -178.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.017 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 79.7 Cg_exo -33.69 -24.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.96 2.44 . . . . 0.0 109.975 -179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.75 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 4.3 m-85 -67.88 -64.58 0.83 Allowed 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 112.05 -2.341 . . . . 0.0 110.974 176.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.6 ' N ' ' O ' ' A' ' 8' ' ' TRP . 18.1 mt -60.73 67.8 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 113.186 -1.825 . . . . 0.0 112.596 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -158.12 -53.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.769 0.319 . . . . 0.0 111.308 179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -71.35 -87.6 0.02 OUTLIER 'General case' 0 C--O 1.249 1.049 0 CA-C-O 117.989 -1.005 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 1 O-C-N 93.527 -18.233 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.709 0.29 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.561 ' HB3' ' NZ ' ' A' ' 2' ' ' LYS . 6.3 ttpm? -170.33 -37.87 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.097 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 54.2 tptt -175.09 26.42 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.941 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 64.7 m-85 -149.76 164.3 21.36 Favored Pre-proline 0 N--CA 1.43 -1.451 0 CA-C-N 113.051 -1.886 . . . . 0.0 108.668 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.71 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 6.3 Cg_exo -79.48 -70.99 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.145 0 C-N-CA 124.0 3.133 . . . . 0.0 109.553 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.413 ' CZ3' ' HB3' ' A' ' 7' ' ' TRP . 12.9 p-90 179.92 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 113.036 -1.893 . . . . 0.0 107.417 177.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.753 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 41.3 p-90 -86.59 -22.24 26.37 Favored 'General case' 0 CA--C 1.496 -1.111 0 CA-C-N 113.986 -1.461 . . . . 0.0 111.006 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.681 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -73.65 -44.39 7.06 Favored Pre-proline 0 N--CA 1.436 -1.173 0 C-N-CA 118.624 -1.23 . . . . 0.0 112.225 -177.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.941 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 91.7 Cg_exo -37.47 -20.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.568 2.178 . . . . 0.0 109.924 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.753 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 6.2 m-85 -74.31 -61.8 1.74 Allowed 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 112.136 -2.302 . . . . 0.0 111.595 177.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.624 HD12 ' HZ3' ' A' ' 7' ' ' TRP . 47.3 mt -61.53 63.29 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 113.68 -1.6 . . . . 0.0 113.351 -177.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.521 ' HD3' ' HE1' ' A' ' 4' ' ' PHE . 7.6 mtmp? -152.95 31.79 0.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.391 . . . . 0.0 110.145 178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.483 ' C ' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -58.55 123.0 14.77 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.297 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 1 O-C-N 110.034 -7.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 56.7 t . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.728 0.299 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.737 ' HZ3' ' HE2' ' A' ' 4' ' ' PHE . 6.8 ttpm? -169.83 -41.57 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -175.46 37.73 0.01 OUTLIER 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 179.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.955 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 20.9 m-85 -145.76 166.57 16.89 Favored Pre-proline 0 N--CA 1.433 -1.309 0 CA-C-N 114.2 -1.364 . . . . 0.0 109.135 -178.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.809 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 82.2 Cg_endo -91.8 -64.78 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.057 3.171 . . . . 0.0 110.234 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.536 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 16.9 p-90 179.35 -39.59 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 113.6 -1.636 . . . . 0.0 107.417 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.737 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 36.1 p-90 -86.5 -21.17 27.12 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-N 113.948 -1.478 . . . . 0.0 111.648 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.705 ' HE1' ' HE2' ' A' ' 12' ' ' LYS . 2.1 t90 -75.49 -43.04 4.15 Favored Pre-proline 0 N--CA 1.432 -1.346 0 C-N-CA 118.305 -1.358 . . . . 0.0 111.883 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.955 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 86.6 Cg_exo -38.95 -20.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.508 2.139 . . . . 0.0 110.083 179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.737 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.2 m-85 -72.05 -58.69 3.22 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 112.382 -2.19 . . . . 0.0 111.092 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.575 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 17.3 mt -60.19 64.41 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 113.584 -1.644 . . . . 0.0 111.912 -179.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.705 ' HE2' ' HE1' ' A' ' 8' ' ' TRP . 64.1 mmtt -150.21 30.23 0.7 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.309 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.477 ' C ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -164.34 131.26 3.14 Favored 'General case' 0 C--O 1.25 1.086 0 CA-C-O 118.054 -0.974 . . . . 0.0 111.17 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 1 O-C-N 74.403 -30.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.799 0.333 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -64.35 87.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.514 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 32.1 mmmt -158.86 -36.3 0.06 Allowed 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 107.003 -1.481 . . . . 0.0 107.003 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.905 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 10.2 m-85 -150.36 152.58 33.41 Favored Pre-proline 0 N--CA 1.426 -1.645 0 CA-C-N 113.403 -1.726 . . . . 0.0 108.092 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.521 ' HG2' ' CE2' ' A' ' 7' ' ' TRP . 2.8 Cg_exo -79.44 -67.27 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.99 0 C-N-CA 124.293 3.328 . . . . 0.0 110.148 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.507 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 15.1 p-90 -179.69 -41.3 0.01 OUTLIER 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 113.144 -1.844 . . . . 0.0 107.474 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.756 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 40.0 p-90 -83.9 -23.29 31.27 Favored 'General case' 0 CA--C 1.493 -1.213 0 CA-C-N 114.078 -1.419 . . . . 0.0 110.701 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.769 ' HE1' ' HE2' ' A' ' 12' ' ' LYS . 2.2 t90 -74.0 -42.89 6.06 Favored Pre-proline 0 N--CA 1.433 -1.322 0 C-N-CA 118.45 -1.3 . . . . 0.0 111.878 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.905 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 84.4 Cg_exo -38.73 -18.83 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.322 2.015 . . . . 0.0 109.929 179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.756 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 7.8 m-85 -74.42 -59.35 2.77 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 112.45 -2.159 . . . . 0.0 111.239 177.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.596 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 19.5 mt -60.2 63.75 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 113.696 -1.593 . . . . 0.0 112.099 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.769 ' HE2' ' HE1' ' A' ' 8' ' ' TRP . 60.8 mmtt -152.03 32.07 0.54 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.041 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -170.33 0.28 0.02 OUTLIER 'General case' 0 C--O 1.249 1.075 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.951 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 1 O-C-N 113.621 -5.675 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 120.828 0.347 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 2' ' ' LYS . 61.9 tttp -173.15 45.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.404 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -176.04 26.16 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.827 0 N-CA-C 107.162 -1.421 . . . . 0.0 107.162 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 1.002 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 15.2 m-85 -143.61 161.35 47.13 Favored Pre-proline 0 N--CA 1.426 -1.638 0 CA-C-N 113.31 -1.768 . . . . 0.0 109.015 -178.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.483 ' HG2' ' CE2' ' A' ' 7' ' ' TRP . 2.5 Cg_endo -81.73 -69.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.177 0 C-N-CA 124.098 3.199 . . . . 0.0 109.504 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.434 ' CH2' ' HB3' ' A' ' 7' ' ' TRP . 21.8 p-90 179.7 -39.89 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 112.737 -2.029 . . . . 0.0 107.029 178.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.815 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 32.0 p-90 -85.86 -18.93 31.44 Favored 'General case' 0 CA--C 1.495 -1.165 0 CA-C-N 113.767 -1.56 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.754 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -70.25 -48.2 19.49 Favored Pre-proline 0 N--CA 1.437 -1.095 0 C-N-CA 118.058 -1.457 . . . . 0.0 111.858 -177.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.002 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 79.2 Cg_exo -33.15 -22.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.937 2.424 . . . . 0.0 110.184 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.815 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.8 m-85 -71.08 -64.02 0.99 Allowed 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 112.421 -2.172 . . . . 0.0 112.292 176.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.54 ' HB2' ' CD1' ' A' ' 8' ' ' TRP . 2.7 mm? -39.55 -42.25 1.13 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 114.364 -1.289 . . . . 0.0 113.849 -177.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.829 ' HE3' ' HA ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -53.52 -47.02 70.3 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.092 -179.311 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -65.93 -59.97 3.32 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 116.757 -3.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.811 0.338 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -148.19 140.42 24.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.795 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -160.77 27.03 0.15 Allowed 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 106.525 -1.658 . . . . 0.0 106.525 179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.896 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 44.4 m-85 -142.46 163.95 36.05 Favored Pre-proline 0 N--CA 1.427 -1.584 0 CA-C-N 113.21 -1.814 . . . . 0.0 109.627 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.75 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 3.8 Cg_exo -77.97 -70.36 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.009 0 C-N-CA 124.218 3.279 . . . . 0.0 109.798 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.51 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 9.2 p-90 -179.81 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 113.157 -1.838 . . . . 0.0 107.358 177.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.749 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 45.0 p-90 -86.11 -26.91 24.98 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-N 114.07 -1.423 . . . . 0.0 110.606 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.729 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -70.18 -41.88 15.23 Favored Pre-proline 0 N--CA 1.434 -1.247 0 C-N-CA 118.724 -1.191 . . . . 0.0 111.587 -178.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.896 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 97.2 Cg_exo -37.48 -17.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.854 2.369 . . . . 0.0 110.248 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.749 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.5 m-85 -82.84 -61.53 1.84 Allowed 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 112.279 -2.237 . . . . 0.0 112.186 177.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.599 HD12 ' CZ3' ' A' ' 7' ' ' TRP . 40.0 mt -64.68 55.95 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 113.56 -1.655 . . . . 0.0 115.038 -176.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.807 ' HE3' ' HA ' ' A' ' 9' ' ' PRO . 2.8 mptm? -88.78 -39.39 13.95 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.573 -0.451 . . . . 0.0 109.922 177.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -169.52 88.77 0.17 Allowed 'General case' 0 C--O 1.25 1.094 0 CA-C-O 118.142 -0.932 . . . . 0.0 110.938 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 1 O-C-N 86.773 -22.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.82 0.343 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -60.32 137.68 58.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -168.45 -22.25 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.759 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.641 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 63.4 m-85 -140.89 160.07 59.81 Favored Pre-proline 0 N--CA 1.439 -1.004 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.836 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 73.7 Cg_exo -55.79 -80.18 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 122.765 2.31 . . . . 0.0 113.056 -178.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.547 ' HA ' ' HG2' ' A' ' 9' ' ' PRO . 50.1 p-90 -179.69 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 179.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.618 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 56.3 p-90 -72.51 -31.58 65.46 Favored 'General case' 0 CA--C 1.492 -1.288 0 CA-C-N 114.031 -1.44 . . . . 0.0 108.317 178.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.836 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 1.7 t90 -70.96 -55.66 6.41 Favored Pre-proline 0 N--CA 1.425 -1.677 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.04 -178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.641 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 29.9 Cg_exo -28.87 -30.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.457 2.772 . . . . 0.0 110.794 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.67 ' N ' ' O ' ' A' ' 8' ' ' TRP . 3.0 m-85 -58.26 -65.63 0.62 Allowed 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.056 -1.884 . . . . 0.0 110.498 175.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.619 HD12 ' HA ' ' A' ' 8' ' ' TRP . 13.8 mt -43.02 -26.89 0.16 Allowed 'General case' 0 C--O 1.231 0.097 0 CA-C-N 113.177 -1.829 . . . . 0.0 112.076 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -75.5 51.26 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.847 0.356 . . . . 0.0 111.211 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.561 ' NZ ' ' HB2' ' A' ' 13' ' ' LYS . 4.9 ttmp? -166.83 -77.4 0.02 OUTLIER 'General case' 0 C--O 1.249 1.079 0 CA-C-O 118.102 -0.952 . . . . 0.0 110.931 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 1 O-C-N 83.415 -24.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 61.5 t . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.734 0.302 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.535 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 88.1 tttt -61.84 131.66 50.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.737 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 2' ' ' LYS . 41.6 mmtm -164.92 29.77 0.06 Allowed 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 1.018 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 3.7 m-85 -141.58 162.08 48.79 Favored Pre-proline 0 N--CA 1.426 -1.632 0 CA-C-N 113.845 -1.525 . . . . 0.0 108.94 -178.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.637 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 97.9 Cg_endo -94.73 -64.82 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 124.24 3.293 . . . . 0.0 110.91 -179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.562 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 22.9 p-90 179.41 -41.2 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.284 -1.78 . . . . 0.0 107.231 178.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.728 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 33.9 p-90 -82.64 -23.65 34.16 Favored 'General case' 0 CA--C 1.491 -1.321 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.624 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.702 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -71.96 -49.77 9.99 Favored Pre-proline 0 N--CA 1.427 -1.622 0 C-N-CA 118.184 -1.406 . . . . 0.0 111.647 -177.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.018 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 86.1 Cg_exo -32.18 -26.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 123.097 2.531 . . . . 0.0 110.402 -179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.728 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.4 m-85 -67.74 -65.48 0.68 Allowed 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 112.577 -2.101 . . . . 0.0 111.794 176.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 8' ' ' TRP . 42.6 mt -39.91 -35.61 0.37 Allowed 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 113.237 -1.802 . . . . 0.0 114.127 -178.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.806 ' HE3' ' HA ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -59.36 -41.3 88.94 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.078 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -55.52 -106.04 0.0 OUTLIER 'General case' 0 C--O 1.248 1.018 0 CA-C-O 118.115 -0.945 . . . . 0.0 111.016 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 1 O-C-N 70.374 -32.704 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 30.0 m . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.923 0.392 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -122.35 -43.68 2.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.948 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.427 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 27.6 tptp -175.64 27.84 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.912 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 6.7 m-85 -144.84 160.93 45.26 Favored Pre-proline 0 N--CA 1.429 -1.52 0 CA-C-N 113.636 -1.62 . . . . 0.0 110.081 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.644 ' CD ' ' HB3' ' A' ' 8' ' ' TRP . 3.3 Cg_exo -77.17 -68.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.324 -0.748 0 C-N-CA 124.578 3.518 . . . . 0.0 109.247 178.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.496 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 10.5 p-90 -179.88 -41.07 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 113.21 -1.813 . . . . 0.0 107.649 177.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.762 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 43.9 p-90 -86.23 -22.84 26.67 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 114.099 -1.409 . . . . 0.0 110.767 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.707 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t-105 -72.41 -40.65 7.26 Favored Pre-proline 0 N--CA 1.435 -1.201 0 C-N-CA 118.96 -1.096 . . . . 0.0 112.175 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.912 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 82.5 Cg_exo -37.9 -18.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.566 2.177 . . . . 0.0 109.686 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.762 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 7.9 m-85 -75.24 -62.21 1.64 Allowed 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 111.949 -2.387 . . . . 0.0 111.617 177.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 8' ' ' TRP . 7.0 mp -42.96 -50.16 5.89 Favored 'General case' 0 C--N 1.34 0.168 0 CA-C-N 114.507 -1.224 . . . . 0.0 111.592 -178.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.87 -43.74 97.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.351 . . . . 0.0 110.678 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.787 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -60.21 130.46 46.76 Favored 'General case' 0 C--O 1.249 1.057 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.945 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.351 0 O-C-N 120.368 -1.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 120.93 0.395 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -71.06 120.37 16.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.122 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -176.16 -31.23 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.173 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.679 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 79.2 m-85 -141.47 160.95 55.01 Favored Pre-proline 0 N--CA 1.442 -0.849 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.194 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.829 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 87.4 Cg_exo -54.14 -79.09 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.96 2.44 . . . . 0.0 112.793 -179.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.489 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 32.9 p-90 -178.73 -47.63 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 107.665 -1.235 . . . . 0.0 107.665 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.654 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 52.3 p-90 -74.97 -29.82 61.02 Favored 'General case' 0 CA--C 1.489 -1.389 0 CA-C-N 114.433 -1.258 . . . . 0.0 108.303 178.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.829 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 1.9 t90 -70.8 -53.32 9.17 Favored Pre-proline 0 N--CA 1.425 -1.677 0 CA-C-N 114.975 -1.011 . . . . 0.0 111.04 -178.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.679 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 43.9 Cg_exo -30.22 -29.69 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.247 2.631 . . . . 0.0 110.546 -179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.673 ' N ' ' O ' ' A' ' 8' ' ' TRP . 2.9 m-85 -62.3 -62.56 1.68 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 113.17 -1.832 . . . . 0.0 110.278 175.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.646 ' N ' ' O ' ' A' ' 8' ' ' TRP . 18.8 mt -58.47 67.57 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 113.102 -1.863 . . . . 0.0 111.807 -179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 10' ' ' PHE . 25.5 ttpp -171.45 39.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.189 0.518 . . . . 0.0 110.58 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HD3' ' C ' ' A' ' 13' ' ' LYS . 12.9 tmtt? -60.67 -39.43 88.37 Favored 'General case' 0 C--O 1.249 1.06 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.46 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 O-C-N 121.085 -1.009 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.851 0.358 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -66.07 -53.81 33.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -175.34 -22.95 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.442 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.527 ' CZ ' ' HE2' ' A' ' 12' ' ' LYS . 91.8 m-85 -144.5 164.48 28.13 Favored Pre-proline 0 N--CA 1.443 -0.791 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.888 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.76 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 80.2 Cg_exo -51.8 -81.41 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 122.679 2.252 . . . . 0.0 112.766 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.581 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 39.8 p-90 -178.53 -45.16 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.669 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 45.9 p-90 -76.85 -26.22 54.04 Favored 'General case' 0 CA--C 1.492 -1.288 0 CA-C-N 114.248 -1.342 . . . . 0.0 108.519 178.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.76 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 1.9 t90 -71.8 -50.24 10.0 Favored Pre-proline 0 N--CA 1.428 -1.565 0 C-N-CA 119.366 -0.934 . . . . 0.0 111.737 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.581 ' HD2' ' C ' ' A' ' 6' ' ' TRP . 48.8 Cg_exo -33.75 -24.51 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 123.1 2.533 . . . . 0.0 110.711 -178.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.686 ' N ' ' O ' ' A' ' 8' ' ' TRP . 24.3 m-85 -68.68 -63.58 1.03 Allowed 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 112.723 -2.035 . . . . 0.0 110.847 176.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.588 HD12 ' HZ3' ' A' ' 7' ' ' TRP . 20.7 mt -62.0 68.02 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 113.294 -1.775 . . . . 0.0 112.659 -178.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.527 ' HE2' ' CZ ' ' A' ' 4' ' ' PHE . 31.3 mmtp -115.17 -45.97 2.92 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.545 0.212 . . . . 0.0 111.33 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -63.08 -72.27 0.14 Allowed 'General case' 0 C--O 1.249 1.063 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.827 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 1 O-C-N 109.69 -8.131 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.507 ' O ' HG22 ' A' ' 1' ' ' VAL . 12.0 p . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 121.394 0.616 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -112.9 48.21 1.04 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.982 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.426 ' H ' ' H ' ' A' ' 4' ' ' PHE . 28.0 tptp -172.6 -14.72 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.987 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 5.2 m-85 -143.28 161.42 47.78 Favored Pre-proline 0 N--CA 1.426 -1.654 0 CA-C-N 114.091 -1.413 . . . . 0.0 108.578 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.556 ' CG ' ' H ' ' A' ' 6' ' ' TRP . 72.6 Cg_endo -92.81 -64.63 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.323 0 C-N-CA 124.34 3.36 . . . . 0.0 110.144 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.556 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 21.6 p-90 179.1 -40.34 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.225 -1.807 . . . . 0.0 106.833 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.821 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 32.1 p-90 -86.8 -16.52 35.97 Favored 'General case' 0 CA--C 1.491 -1.319 0 CA-C-N 113.703 -1.59 . . . . 0.0 111.577 -179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.724 ' O ' ' N ' ' A' ' 10' ' ' PHE . 6.5 t-105 -70.73 -50.31 13.38 Favored Pre-proline 0 N--CA 1.43 -1.425 0 C-N-CA 117.266 -1.774 . . . . 0.0 111.603 -177.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.987 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 85.4 Cg_exo -31.61 -25.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.259 2.639 . . . . 0.0 110.113 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.821 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 2.5 m-85 -56.79 -65.3 0.64 Allowed 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 112.776 -2.011 . . . . 0.0 110.991 175.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' A' ' 8' ' ' TRP . 3.9 mp -57.74 69.98 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.607 -179.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.665 ' HE2' ' HE1' ' A' ' 8' ' ' TRP . 72.0 mmtt -148.54 -65.07 0.24 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.712 0.292 . . . . 0.0 111.423 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.454 ' C ' ' HD2' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -76.82 111.4 12.31 Favored 'General case' 0 C--O 1.248 1.026 0 CA-C-O 118.109 -0.948 . . . . 0.0 110.537 -179.629 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 1 O-C-N 82.932 -24.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.464 HG13 ' HG3' ' A' ' 2' ' ' LYS . 6.2 p . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.727 0.298 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.464 ' HG3' HG13 ' A' ' 1' ' ' VAL . 97.2 mttt -81.21 136.36 35.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.5 tptp -175.21 43.6 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.563 0.697 . . . . 0.0 109.271 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -140.73 156.36 68.99 Favored Pre-proline 0 N--CA 1.442 -0.851 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.709 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.808 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 36.9 Cg_exo -65.3 -140.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.329 -0.454 0 C-N-CA 123.404 2.736 . . . . 0.0 111.997 -179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.538 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 48.2 p-90 -117.1 -39.9 3.17 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.56 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 61.9 p-90 -73.95 -34.95 64.49 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.541 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.808 ' HB3' ' HD2' ' A' ' 5' ' ' PRO . 2.0 t90 -68.73 -47.7 32.57 Favored Pre-proline 0 N--CA 1.436 -1.139 0 C-N-CA 119.471 -0.891 . . . . 0.0 111.792 -178.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 8' ' ' TRP . 48.2 Cg_exo -34.55 -22.15 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.412 2.741 . . . . 0.0 111.565 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.663 ' N ' ' O ' ' A' ' 8' ' ' TRP . 2.8 m-85 -71.23 -62.12 1.52 Allowed 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 113.066 -1.879 . . . . 0.0 111.299 177.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 8' ' ' TRP . 21.5 mt -42.11 -20.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 113.125 -1.852 . . . . 0.0 113.79 -178.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.533 ' HD3' ' O ' ' A' ' 9' ' ' PRO . 5.0 mptp? -50.82 -41.22 57.23 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.952 -0.299 . . . . 0.0 111.187 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -58.99 -27.74 65.7 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 118.05 -0.976 . . . . 0.0 111.114 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 O-C-N 120.603 -1.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.66 0.267 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.583 ' HB3' ' NZ ' ' A' ' 2' ' ' LYS . 8.9 mtpm? -62.88 115.99 4.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.906 0.384 . . . . 0.0 111.215 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.436 ' H ' ' H ' ' A' ' 4' ' ' PHE . 55.0 tptt -176.08 -20.78 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.921 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 25.1 m-85 -145.1 152.33 50.82 Favored Pre-proline 0 N--CA 1.419 -2.014 0 CA-C-N 113.302 -1.772 . . . . 0.0 108.184 178.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.611 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 6.3 Cg_exo -83.55 -67.4 0.01 OUTLIER 'Trans proline' 0 C--N 1.316 -1.135 0 C-N-CA 124.717 3.611 . . . . 0.0 110.089 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.475 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 12.5 p-90 -179.64 -44.8 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 113.195 -1.821 . . . . 0.0 107.583 177.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.657 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 44.5 p-90 -80.1 -31.93 39.18 Favored 'General case' 0 CA--C 1.484 -1.596 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.813 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.874 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.2 t90 -59.11 -51.84 78.89 Favored Pre-proline 0 N--CA 1.422 -1.833 0 C-N-CA 117.716 -1.593 . . . . 0.0 109.11 -178.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.921 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 27.6 Cg_exo -46.96 66.52 0.01 OUTLIER 'Trans proline' 0 C--N 1.37 1.677 0 C-N-CA 123.534 2.823 . . . . 0.0 107.857 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.874 ' N ' ' O ' ' A' ' 8' ' ' TRP 0.284 1.5 m-85 -167.02 -64.52 0.03 OUTLIER 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 112.067 -2.333 . . . . 0.0 108.946 -172.542 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.595 HD12 ' HA ' ' A' ' 8' ' ' TRP . 16.2 mt -49.92 -35.56 24.33 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 111.703 -2.499 . . . . 0.0 112.831 -178.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.443 ' HG3' ' HE1' ' A' ' 4' ' ' PHE . 74.4 mmtt -61.48 -47.46 85.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.692 0.282 . . . . 0.0 111.25 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -65.89 -5.18 8.41 Favored 'General case' 0 C--O 1.249 1.063 0 CA-C-O 118.008 -0.996 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 O-C-N 119.516 -1.99 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.562 HG13 ' HG2' ' A' ' 2' ' ' LYS . 8.5 p . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.771 0.319 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.562 ' HG2' HG13 ' A' ' 1' ' ' VAL . 8.7 ptpp? -168.16 38.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 2' ' ' LYS . 29.1 mmmt -167.33 27.09 0.03 OUTLIER 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.939 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 46.3 m-85 -141.85 164.57 33.44 Favored Pre-proline 0 N--CA 1.428 -1.526 0 CA-C-N 113.082 -1.872 . . . . 0.0 109.238 -178.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.93 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 4.6 Cg_exo -76.75 -71.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 124.174 3.249 . . . . 0.0 109.847 179.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.446 ' C ' ' HD2' ' A' ' 9' ' ' PRO . 9.2 p-90 179.9 -41.68 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 113.315 -1.766 . . . . 0.0 107.685 177.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.725 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 51.3 p-90 -83.57 -30.92 26.63 Favored 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.254 179.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.711 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 2.1 t90 -69.61 -44.53 24.5 Favored Pre-proline 0 N--CA 1.434 -1.268 0 C-N-CA 119.511 -0.876 . . . . 0.0 111.596 -178.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.939 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 56.0 Cg_exo -37.63 -17.47 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.289 2.66 . . . . 0.0 110.681 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.725 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.5 m-85 -74.66 -58.73 3.1 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 112.37 -2.195 . . . . 0.0 110.968 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.645 HD12 ' HA ' ' A' ' 8' ' ' TRP . 10.1 mt -53.27 -0.39 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 113.339 -1.755 . . . . 0.0 111.981 -179.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.528 ' HZ1' ' HE1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -131.78 52.9 2.03 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.971 0.415 . . . . 0.0 110.605 179.233 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -162.91 95.37 0.87 Allowed 'General case' 0 C--O 1.249 1.036 0 CA-C-O 118.016 -0.993 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 1 O-C-N 96.008 -16.683 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.814 0.34 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -64.93 -43.94 91.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.289 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -175.73 34.14 0.01 OUTLIER 'General case' 0 CA--C 1.506 -0.738 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 1.019 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 64.2 m-85 -144.71 166.14 19.72 Favored Pre-proline 0 N--CA 1.429 -1.519 0 CA-C-N 113.508 -1.678 . . . . 0.0 110.233 -177.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.787 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 4.2 Cg_exo -80.69 -69.85 0.01 OUTLIER 'Trans proline' 0 C--N 1.32 -0.924 0 C-N-CA 124.447 3.431 . . . . 0.0 109.409 178.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.489 ' O ' ' HG2' ' A' ' 9' ' ' PRO . 6.3 p-90 179.99 -44.44 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 113.429 -1.714 . . . . 0.0 108.059 177.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.688 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 44.8 p-90 -83.78 -32.02 25.61 Favored 'General case' 0 CA--C 1.486 -1.518 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.268 179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.811 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.3 t-105 -60.21 -48.36 94.4 Favored Pre-proline 0 N--CA 1.426 -1.651 0 C-N-CA 118.449 -1.3 . . . . 0.0 110.426 -178.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 1.019 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 1.3 Cg_endo -53.58 68.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.364 1.395 0 C-N-CA 123.139 2.559 . . . . 0.0 106.814 179.141 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.811 ' N ' ' O ' ' A' ' 8' ' ' TRP 0.306 0.4 OUTLIER -165.91 -64.93 0.03 OUTLIER 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 111.15 -2.75 . . . . 0.0 109.095 -171.923 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.601 HD12 ' HA ' ' A' ' 8' ' ' TRP . 11.8 mt -50.54 -14.99 0.21 Allowed 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 111.765 -2.471 . . . . 0.0 111.571 -179.52 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.629 ' HD3' ' HE1' ' A' ' 4' ' ' PHE . 31.6 mmmt -67.52 -125.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.974 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -60.51 -13.96 16.89 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 118.007 -0.996 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 1 O-C-N 102.672 -12.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 121.016 0.436 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -169.21 48.47 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.497 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.796 ' HA ' ' HE3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -175.42 35.87 0.01 OUTLIER 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.701 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.642 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 53.1 m-85 -144.94 161.2 43.81 Favored Pre-proline 0 N--CA 1.439 -0.98 0 CA-C-N 114.367 -1.288 . . . . 0.0 109.305 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.87 ' HD2' ' HB3' ' A' ' 8' ' ' TRP . 74.8 Cg_exo -55.25 -79.07 0.02 OUTLIER 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 122.909 2.406 . . . . 0.0 112.097 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.483 ' CD2' ' N ' ' A' ' 7' ' ' TRP . 39.9 p-90 -179.38 -48.16 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.689 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 54.5 p-90 -74.6 -25.42 59.24 Favored 'General case' 0 CA--C 1.492 -1.258 0 CA-C-N 114.203 -1.362 . . . . 0.0 108.439 178.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.902 ' HA ' HD13 ' A' ' 11' ' ' LEU . 2.1 t-105 -70.24 -56.1 7.29 Favored Pre-proline 0 N--CA 1.43 -1.431 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.974 -177.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.642 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 49.9 Cg_exo -31.06 -27.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.937 3.091 . . . . 0.0 111.012 -178.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.689 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 5.3 m-85 -58.61 -64.27 0.99 Allowed 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 112.547 -2.115 . . . . 0.0 111.415 176.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.902 HD13 ' HA ' ' A' ' 8' ' ' TRP . 9.6 mp -34.16 -38.22 0.06 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 113.241 -1.799 . . . . 0.0 111.963 -179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.663 ' HA ' ' HE2' ' A' ' 12' ' ' LYS . 7.8 mmpt? -75.72 -51.9 11.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.453 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -150.71 94.12 2.04 Favored 'General case' 0 C--O 1.248 1.016 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.717 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 1 O-C-N 104.285 -11.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.874 0.368 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -144.65 47.79 1.35 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.697 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.455 ' H ' ' H ' ' A' ' 4' ' ' PHE . 27.8 tptp -174.03 -0.78 0.01 OUTLIER 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.942 ' HB3' ' HD3' ' A' ' 9' ' ' PRO . 5.0 m-85 -148.39 158.81 40.35 Favored Pre-proline 0 N--CA 1.426 -1.635 0 CA-C-N 114.024 -1.443 . . . . 0.0 108.179 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.727 ' HD2' ' HD3' ' A' ' 9' ' ' PRO . 98.8 Cg_endo -94.8 -63.47 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.426 3.418 . . . . 0.0 110.934 -179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.545 ' H ' ' CG ' ' A' ' 5' ' ' PRO . 14.9 p-90 179.62 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 113.477 -1.692 . . . . 0.0 107.074 178.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.709 ' O ' ' HB2' ' A' ' 10' ' ' PHE . 34.4 p-90 -83.65 -22.14 32.24 Favored 'General case' 0 CA--C 1.494 -1.196 0 CA-C-N 113.879 -1.51 . . . . 0.0 111.602 -179.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.68 ' O ' ' N ' ' A' ' 10' ' ' PHE . 2.1 t90 -74.1 -46.09 6.42 Favored Pre-proline 0 N--CA 1.43 -1.462 0 C-N-CA 118.134 -1.427 . . . . 0.0 112.048 -177.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.942 ' HD3' ' HB3' ' A' ' 4' ' ' PHE . 79.2 Cg_exo -35.75 -22.61 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.796 2.331 . . . . 0.0 110.334 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.709 ' HB2' ' O ' ' A' ' 7' ' ' TRP . 3.0 m-85 -72.79 -66.18 0.7 Allowed 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 112.267 -2.242 . . . . 0.0 111.466 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 8' ' ' TRP . 36.2 mt -47.44 -36.88 10.58 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 113.841 -1.527 . . . . 0.0 112.354 -178.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -56.35 -44.89 80.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.835 0.35 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -64.91 4.27 0.45 Allowed 'General case' 0 C--O 1.249 1.073 0 CA-C-O 118.049 -0.977 . . . . 0.0 111.116 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 1 O-C-N 106.498 -10.126 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_