data_2bc7_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 2bc7 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.652 ' O ' ' HB2' ' A' ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.1 m -73.92 -7.15 51.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.496 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.8 m -88.57 -29.93 19.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -87.64 132.12 41.6 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.151 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.42 -39.97 85.21 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 123.188 2.592 . . . . 0.0 114.17 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.34 -24.24 34.65 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 120.929 0.395 . . . . 0.0 111.631 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.652 ' HB2' ' O ' ' A' ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.96 -30.3 67.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.404 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -62.71 -21.85 66.07 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 121.305 0.574 . . . . 0.0 109.959 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.594 HH21 'SE ' ' A' ' 8' ' ' SEC . 45.7 ttp180 -103.63 42.81 1.14 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.052 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 t . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.292 -179.476 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 111.909 -0.476 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.673 ' O ' ' HB2' ' A' ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.7 m -73.2 -7.42 51.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.493 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.5 m -88.57 -33.0 17.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.296 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -87.63 130.24 47.85 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.17 -39.74 79.43 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 123.535 2.824 . . . . 0.0 114.335 -178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -80.75 -21.15 41.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.297 0.57 . . . . 0.0 111.132 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.673 ' HB2' ' O ' ' A' ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.86 -29.13 54.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.171 -0.922 . . . . 0.0 113.087 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.587 ' CD1' ' HG3' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -63.92 -14.52 54.25 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.249 0.547 . . . . 0.0 110.382 -179.699 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.587 ' HG3' ' CD1' ' A' ' 10' ' ' TRP . 62.1 mtm180 -106.8 32.5 4.52 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.453 177.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.6 t . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.416 -179.131 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.639 ' O ' ' HB2' ' A' ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.6 m -72.7 -9.9 59.17 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.425 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 m -88.79 -27.25 21.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.614 ' OD2' ' HG2' ' A' ' 7' ' ' ARG . 31.9 t70 -87.55 131.42 43.86 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.19 -45.74 35.18 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 123.443 2.762 . . . . 0.0 114.753 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.614 ' HG2' ' OD2' ' A' ' 5' ' ' ASP . 3.2 ptp85 -83.41 -19.5 35.86 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.732 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.66 'SE ' HH21 ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.81 -31.44 64.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.731 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -22.2 66.37 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.196 0.522 . . . . 0.0 110.229 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.66 HH21 'SE ' ' A' ' 8' ' ' SEC . 47.0 ttp180 -101.69 44.18 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.63 0.729 . . . . 0.0 109.114 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.341 -179.514 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 111.949 -0.461 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.641 ' O ' ' HB2' ' A' ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.9 m -72.26 -8.83 56.99 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.416 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.0 m -88.72 -31.14 18.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.384 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -87.5 130.87 45.72 Favored Pre-proline 0 C--O 1.222 -0.383 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -52.88 -39.89 76.9 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.331 2.687 . . . . 0.0 114.484 -178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -81.0 -23.89 38.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.141 0.496 . . . . 0.0 111.236 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.641 ' HB2' ' O ' ' A' ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -32.53 65.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.537 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -15.83 63.02 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.171 0.51 . . . . 0.0 110.007 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -101.19 27.74 5.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.218 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.0 t . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.465 -178.796 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.604 ' O ' ' HB2' ' A' ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.5 m -72.22 -11.03 60.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.353 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.3 m -88.86 -26.78 21.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.649 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.479 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 8.8 t70 -87.77 131.22 44.08 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -51.55 -44.29 44.93 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 123.447 2.765 . . . . 0.0 114.759 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.479 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 20.8 ptt-85 -86.79 -15.41 39.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 111.588 -179.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.85 'SE ' HH21 ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.63 -27.82 42.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.006 -0.997 . . . . 0.0 113.507 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.479 ' CD1' ' HG3' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -64.26 -15.71 60.64 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.735 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.85 HH21 'SE ' ' A' ' 8' ' ' SEC . 82.1 mtm180 -102.67 33.85 3.03 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.4 t . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.452 -178.914 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.452 0 N-CA-C 112.009 -0.437 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.653 ' O ' ' HB2' ' A' ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.3 m -76.24 -5.19 45.8 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.56 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.8 m -88.68 -34.79 17.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.512 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.546 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 65.7 t0 -87.89 120.06 70.7 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.5 -39.13 28.82 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 123.852 3.035 . . . . 0.0 114.819 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.546 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 32.6 ptt180 -75.09 -26.74 59.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.157 0.503 . . . . 0.0 111.203 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.653 ' HB2' ' O ' ' A' ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.13 -29.63 67.53 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.937 -1.029 . . . . 0.0 112.623 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.4 ' C ' ' CD1' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -64.29 -16.79 62.81 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.306 0.574 . . . . 0.0 109.909 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.524 HH21 'SE ' ' A' ' 8' ' ' SEC . 40.5 ttp180 -115.17 32.0 6.33 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.549 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.66 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 111.963 -0.455 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.489 ' O ' ' HB2' ' A' ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.0 m -67.49 -8.08 30.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.424 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.9 m -87.12 -11.32 50.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.226 0.536 . . . . 0.0 109.87 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.634 ' OD2' ' HG2' ' A' ' 7' ' ' ARG . 30.9 t70 -87.47 127.04 60.14 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -47.21 -46.64 19.02 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 123.659 2.906 . . . . 0.0 115.518 -176.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.634 ' HG2' ' OD2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -79.45 -22.47 44.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.994 -0.441 . . . . 0.0 111.741 -178.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.813 'SE ' HH21 ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.52 96.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.234 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -68.22 -27.3 66.25 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.813 HH21 'SE ' ' A' ' 8' ' ' SEC . 54.0 ttp180 -94.42 42.76 1.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 177.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.13 -179.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 111.864 -0.494 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.645 ' O ' ' HB2' ' A' ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 m -72.18 -9.46 58.47 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.296 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.2 m -88.72 -28.9 20.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.358 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -87.64 131.82 42.48 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.76 -39.31 84.28 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 123.52 2.813 . . . . 0.0 114.205 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -82.61 -25.56 33.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.084 0.469 . . . . 0.0 111.258 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.645 ' HB2' ' O ' ' A' ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -34.79 74.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.698 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.444 ' CD1' ' HG3' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -66.55 -16.4 64.13 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.373 0.606 . . . . 0.0 109.758 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.561 ' HE ' 'SE ' ' A' ' 8' ' ' SEC . 23.4 mtp85 -98.53 26.12 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.56 178.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.508 -178.78 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 N-CA-C 111.944 -0.462 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.664 'SE ' ' HB2' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.4 m -72.11 -8.39 54.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.7 m -88.57 -27.03 21.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.784 0.326 . . . . 0.0 111.061 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.493 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 9.1 t70 -88.14 130.32 46.6 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -52.27 -43.44 53.59 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 123.323 2.682 . . . . 0.0 114.514 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.493 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 19.8 ptt-85 -86.28 -16.24 38.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 0.0 111.67 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.599 ' HB2' ' O ' ' A' ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.48 -36.4 64.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.94 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -19.04 63.47 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.124 0.488 . . . . 0.0 110.723 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.665 ' NH1' ' HB3' ' A' ' 11' ' ' ARG . 6.8 ttp-105 -119.84 41.54 3.14 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.664 ' HB2' 'SE ' ' A' ' 2' ' ' SEC . 42.0 t . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.312 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.577 0 N-CA-C 112.347 -0.301 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.662 ' O ' ' HB2' ' A' ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.8 m -71.61 -7.87 50.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.965 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.0 m -88.44 -26.92 21.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.506 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -87.83 130.56 46.3 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -53.22 -39.12 81.73 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 123.328 2.685 . . . . 0.0 114.115 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -83.56 -24.04 31.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.002 0.429 . . . . 0.0 111.284 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.662 ' HB2' ' O ' ' A' ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.61 -31.68 68.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.914 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -64.81 -19.59 65.92 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 121.273 0.559 . . . . 0.0 109.997 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.6 ttt85 -102.58 33.63 3.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.77 0.795 . . . . 0.0 109.252 178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.0 t . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.37 -179.665 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.566 0 N-CA-C 111.993 -0.443 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.553 ' O ' ' HB2' ' A' ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.5 m -71.9 -10.89 60.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 m -88.4 -25.99 22.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.007 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.506 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 9.6 t70 -88.09 128.51 53.44 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -51.88 -41.97 60.32 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 123.296 2.664 . . . . 0.0 114.518 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.506 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 20.4 ptt-85 -86.43 -17.96 32.97 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.975 -178.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.553 ' HB2' ' O ' ' A' ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.477 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . . . -55.84 -37.87 69.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.696 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -18.62 61.89 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.107 0.48 . . . . 0.0 111.097 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -131.83 40.78 3.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.669 0.747 . . . . 0.0 108.993 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.477 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 23.4 t . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.668 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 111.966 -0.454 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.623 ' O ' ' HB2' ' A' ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.7 m -72.13 -7.9 51.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.317 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.4 m -88.63 -31.68 18.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.39 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.642 ' OD2' ' HG2' ' A' ' 7' ' ' ARG . 35.1 t70 -87.83 130.28 47.32 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.413 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -52.24 -44.38 46.69 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 123.4 2.733 . . . . 0.0 114.685 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.642 ' HG2' ' OD2' ' A' ' 5' ' ' ASP . 3.7 ptp85 -84.36 -4.84 59.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.127 0.489 . . . . 0.0 111.476 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.628 ' HA ' ' NH2' ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.39 -36.68 54.62 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.62 ' CD1' ' HG3' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -65.4 -15.41 62.57 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.088 0.471 . . . . 0.0 110.692 -179.1 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.628 ' NH2' ' HA ' ' A' ' 8' ' ' SEC . 29.1 mtm105 -117.06 35.14 4.77 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.58 ' HB2' 'SE ' ' A' ' 2' ' ' SEC . 50.5 t . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.407 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.718 'SE ' ' HB2' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.0 m -73.71 -4.03 31.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.215 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.2 m -88.5 -32.53 18.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.911 0.386 . . . . 0.0 110.675 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -87.96 131.52 42.82 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.919 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.21 -38.52 93.59 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.084 2.523 . . . . 0.0 114.009 -178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.05 -23.83 35.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.018 0.437 . . . . 0.0 111.612 -178.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.595 ' HB2' ' O ' ' A' ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.03 -34.61 66.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.343 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -18.97 64.55 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.291 0.567 . . . . 0.0 110.534 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -120.21 39.17 3.77 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.718 ' HB2' 'SE ' ' A' ' 2' ' ' SEC . 44.1 t . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.39 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 111.92 -0.472 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.532 ' O ' ' HB2' ' A' ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.9 m -73.36 -9.08 58.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.1 m -88.27 -27.69 21.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.944 0.402 . . . . 0.0 110.723 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.629 ' OD2' ' HG3' ' A' ' 7' ' ' ARG . 22.8 t70 -87.46 127.77 57.41 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.897 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -52.37 -42.73 58.93 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 123.329 2.686 . . . . 0.0 114.154 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.629 ' HG3' ' OD2' ' A' ' 5' ' ' ASP . 8.6 ptt85 -83.16 -20.83 33.99 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.532 ' HB2' ' O ' ' A' ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.489 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . . . -56.22 -38.33 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.632 -179.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.407 ' CE3' ' HA ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -62.89 -19.51 64.24 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.109 0.48 . . . . 0.0 110.806 -179.245 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -128.5 39.8 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.489 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 24.8 t . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.621 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 111.992 -0.443 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.644 ' O ' ' HB2' ' A' ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.2 m -74.29 -5.88 44.73 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.525 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.3 m -88.59 -33.08 17.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.245 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.557 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 66.3 t0 -88.03 119.6 70.46 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -47.4 -38.17 26.53 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.838 3.025 . . . . 0.0 114.883 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.557 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 32.4 ptt180 -75.21 -28.05 59.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.031 0.443 . . . . 0.0 111.408 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.644 ' HB2' ' O ' ' A' ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.74 -31.79 68.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.214 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -18.34 64.33 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.237 0.541 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 23.8 ttt-85 -115.95 31.28 6.82 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.642 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.0 t . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.728 179.887 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 112.013 -0.435 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.632 ' O ' ' HB2' ' A' ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.5 m -74.05 -4.39 35.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.019 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 m -88.25 -33.8 17.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.832 0.348 . . . . 0.0 110.683 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -88.17 127.51 57.05 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -54.3 -35.17 82.84 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.417 2.744 . . . . 0.0 114.113 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -80.07 -24.74 40.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.01 0.434 . . . . 0.0 111.286 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.632 ' HB2' ' O ' ' A' ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.495 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . . . -60.01 -29.44 68.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.635 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.548 ' HD1' ' HG3' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -60.25 -17.4 41.68 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.867 0.365 . . . . 0.0 111.709 -178.802 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.548 ' HG3' ' HD1' ' A' ' 10' ' ' TRP . 35.5 mtp85 -145.18 40.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.089 0.471 . . . . 0.0 109.788 178.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.495 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 48.7 t . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.642 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 111.933 -0.467 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.643 ' O ' ' HB2' ' A' ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 39.1 m -73.74 -3.81 30.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.469 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m -88.24 -30.68 19.51 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.295 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -88.67 129.51 48.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.78 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.77 -36.93 83.94 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 123.37 2.713 . . . . 0.0 114.226 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -85.33 -21.35 28.97 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.6 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.643 ' HB2' ' O ' ' A' ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.93 17.87 0.2 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.271 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . 0.464 ' H ' ' C ' ' A' ' 8' ' ' SEC . 0.2 OUTLIER -66.41 -14.51 62.26 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.144 0.497 . . . . 0.0 111.043 179.618 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 mtp-105 -133.23 43.25 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.864 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.0 t . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.277 -179.911 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 111.939 -0.464 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.592 ' O ' ' HB2' ' A' ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 m -71.47 -10.34 59.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.251 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.6 m -88.5 -22.3 23.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.166 0.508 . . . . 0.0 110.104 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -87.49 121.82 70.93 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.239 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.25 -37.51 49.66 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 123.169 2.579 . . . . 0.0 113.852 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.6 ptt-85 -86.39 -22.6 26.52 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.592 ' HB2' ' O ' ' A' ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.06 -29.54 65.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.685 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -20.12 65.12 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.369 0.605 . . . . 0.0 110.13 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -106.31 39.2 1.86 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.717 0.77 . . . . 0.0 109.109 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.217 -179.559 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.329 0 N-CA-C 111.959 -0.456 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.511 ' O ' ' HB2' ' A' ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.8 m -65.47 -9.65 27.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.554 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.6 m -88.0 -8.1 56.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.537 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 8.4 t70 -88.33 133.17 37.23 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -49.62 -42.22 43.3 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 123.404 2.736 . . . . 0.0 114.808 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.537 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 22.9 ptt-85 -87.64 -20.13 26.76 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.929 -0.482 . . . . 0.0 112.03 -178.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.511 ' HB2' ' O ' ' A' ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.56 -41.34 80.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.228 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -18.69 65.5 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.07 0.462 . . . . 0.0 110.261 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -99.44 28.33 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.751 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.498 -179.148 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SEC . . . . . 0.618 ' O ' ' HB2' ' A' ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.5 m -70.72 -12.44 61.55 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.304 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.5 m -88.97 -21.26 23.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.275 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.628 ' OD2' ' HG2' ' A' ' 7' ' ' ARG . 24.8 t70 -87.85 135.56 33.58 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.479 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.54 -44.45 49.37 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 123.188 2.592 . . . . 0.0 114.326 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.628 ' HG2' ' OD2' ' A' ' 5' ' ' ASP . 22.6 ptt-85 -87.75 -19.48 27.5 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.859 -178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SEC . . . . . 0.618 ' HB2' ' O ' ' A' ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.37 -34.54 70.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.793 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -20.54 66.39 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 121.306 0.574 . . . . 0.0 110.098 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.461 ' O ' ' HG2' ' A' ' 11' ' ' ARG . 65.7 ttt180 -95.99 30.92 2.26 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.247 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.435 -179.41 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SEC . . . . . 0.483 'SE ' HH21 ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.1 m -73.92 -7.15 51.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.496 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.8 m -88.57 -29.93 19.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -87.64 132.12 41.6 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.151 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.42 -39.97 85.21 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 123.188 2.592 . . . . 0.0 114.17 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.34 -24.24 34.65 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 120.929 0.395 . . . . 0.0 111.631 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SEC . . . . . 0.604 'SE ' HH21 ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.96 -30.3 67.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.404 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -62.71 -21.85 66.07 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 121.305 0.574 . . . . 0.0 109.959 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.604 HH21 'SE ' ' A' ' 8' ' ' SEC . 45.7 ttp180 -103.63 42.81 1.14 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.052 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 t . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.292 -179.476 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 111.909 -0.476 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.7 m -73.2 -7.42 51.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.493 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.5 m -88.57 -33.0 17.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.296 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -87.63 130.24 47.85 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.17 -39.74 79.43 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 123.535 2.824 . . . . 0.0 114.335 -178.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -80.75 -21.15 41.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.297 0.57 . . . . 0.0 111.132 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SEC . . . . . 0.439 ' HA ' ' NH2' ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.86 -29.13 54.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.171 -0.922 . . . . 0.0 113.087 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.592 ' CD1' ' HG3' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -63.92 -14.52 54.25 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.249 0.547 . . . . 0.0 110.382 -179.699 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.592 ' HG3' ' CD1' ' A' ' 10' ' ' TRP . 62.1 mtm180 -106.8 32.5 4.52 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.453 177.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.6 t . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.416 -179.131 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SEC . . . . . 0.408 'SE ' HH21 ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.6 m -72.7 -9.9 59.17 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.425 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 m -88.79 -27.25 21.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.632 ' OD2' ' HG2' ' A' ' 7' ' ' ARG . 31.9 t70 -87.55 131.42 43.86 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.19 -45.74 35.18 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 123.443 2.762 . . . . 0.0 114.753 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.632 ' HG2' ' OD2' ' A' ' 5' ' ' ASP . 3.2 ptp85 -83.41 -19.5 35.86 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.732 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SEC . . . . . 0.666 'SE ' HH21 ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.81 -31.44 64.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.731 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -22.2 66.37 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.196 0.522 . . . . 0.0 110.229 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.666 HH21 'SE ' ' A' ' 8' ' ' SEC . 47.0 ttp180 -101.69 44.18 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.63 0.729 . . . . 0.0 109.114 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.341 -179.514 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 111.949 -0.461 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.9 m -72.26 -8.83 56.99 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.416 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.0 m -88.72 -31.14 18.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.384 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 9.5 t70 -87.5 130.87 45.72 Favored Pre-proline 0 C--O 1.222 -0.383 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 65.5 Cg_exo -52.88 -39.89 76.9 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.331 2.687 . . . . 0.0 114.484 -178.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -81.0 -23.89 38.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.141 0.496 . . . . 0.0 111.236 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -32.53 65.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.537 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -15.83 63.02 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.171 0.51 . . . . 0.0 110.007 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -101.19 27.74 5.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.218 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.0 t . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.465 -178.796 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.5 m -72.22 -11.03 60.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.353 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.3 m -88.86 -26.78 21.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.649 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.488 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 8.8 t70 -87.77 131.22 44.08 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -51.55 -44.29 44.93 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 123.447 2.765 . . . . 0.0 114.759 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.488 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 20.8 ptt-85 -86.79 -15.41 39.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 111.588 -179.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SEC . . . . . 0.862 'SE ' HH21 ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.63 -27.82 42.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.006 -0.997 . . . . 0.0 113.507 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.501 ' CD1' ' HG3' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -64.26 -15.71 60.64 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.735 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.862 HH21 'SE ' ' A' ' 8' ' ' SEC . 82.1 mtm180 -102.67 33.85 3.03 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.4 t . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.452 -178.914 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.452 0 N-CA-C 112.009 -0.437 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.3 m -76.24 -5.19 45.8 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.56 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.8 m -88.68 -34.79 17.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.512 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.558 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 65.7 t0 -87.89 120.06 70.7 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.5 -39.13 28.82 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 123.852 3.035 . . . . 0.0 114.819 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.558 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 32.6 ptt180 -75.09 -26.74 59.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.157 0.503 . . . . 0.0 111.203 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SEC . . . . . 0.53 'SE ' HH21 ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.13 -29.63 67.53 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.937 -1.029 . . . . 0.0 112.623 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.4 ' C ' ' CD1' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -64.29 -16.79 62.81 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.306 0.574 . . . . 0.0 109.909 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.53 HH21 'SE ' ' A' ' 8' ' ' SEC . 40.5 ttp180 -115.17 32.0 6.33 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.549 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.66 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 111.963 -0.455 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.0 m -67.49 -8.08 30.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.424 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.9 m -87.12 -11.32 50.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.226 0.536 . . . . 0.0 109.87 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.643 ' OD2' ' HG2' ' A' ' 7' ' ' ARG . 30.9 t70 -87.47 127.04 60.14 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -47.21 -46.64 19.02 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 123.659 2.906 . . . . 0.0 115.518 -176.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.643 ' HG2' ' OD2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -79.45 -22.47 44.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.994 -0.441 . . . . 0.0 111.741 -178.86 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SEC . . . . . 0.823 'SE ' HH21 ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.52 96.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.234 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -68.22 -27.3 66.25 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.823 HH21 'SE ' ' A' ' 8' ' ' SEC . 54.0 ttp180 -94.42 42.76 1.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 177.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.13 -179.0 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 111.864 -0.494 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 m -72.18 -9.46 58.47 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.296 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.2 m -88.72 -28.9 20.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.358 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -87.64 131.82 42.48 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.76 -39.31 84.28 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 123.52 2.813 . . . . 0.0 114.205 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -82.61 -25.56 33.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.084 0.469 . . . . 0.0 111.258 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SEC . . . . . 0.59 'SE ' ' HE ' ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -34.79 74.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.698 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.46 ' CD1' ' HG3' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -66.55 -16.4 64.13 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.373 0.606 . . . . 0.0 109.758 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.59 ' HE ' 'SE ' ' A' ' 8' ' ' SEC . 23.4 mtp85 -98.53 26.12 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.56 178.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.508 -178.78 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 N-CA-C 111.944 -0.462 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SEC . . . . . 0.668 'SE ' ' HB2' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.4 m -72.11 -8.39 54.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.7 m -88.57 -27.03 21.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.784 0.326 . . . . 0.0 111.061 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.506 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 9.1 t70 -88.14 130.32 46.6 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -52.27 -43.44 53.59 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 123.323 2.682 . . . . 0.0 114.514 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.506 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 19.8 ptt-85 -86.28 -16.24 38.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 0.0 111.67 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SEC . . . . . 0.598 'SE ' HH12 ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.48 -36.4 64.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.94 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -19.04 63.47 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.124 0.488 . . . . 0.0 110.723 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.67 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 6.8 ttp-105 -119.84 41.54 3.14 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.668 ' HB2' 'SE ' ' A' ' 2' ' ' SEC . 42.0 t . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.312 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.577 0 N-CA-C 112.347 -0.301 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.8 m -71.61 -7.87 50.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.965 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.0 m -88.44 -26.92 21.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.506 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -87.83 130.56 46.3 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -53.22 -39.12 81.73 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 123.328 2.685 . . . . 0.0 114.115 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -83.56 -24.04 31.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.002 0.429 . . . . 0.0 111.284 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.61 -31.68 68.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.914 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -64.81 -19.59 65.92 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 121.273 0.559 . . . . 0.0 109.997 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 11' ' ' ARG . 47.6 ttt85 -102.58 33.63 3.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.77 0.795 . . . . 0.0 109.252 178.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.0 t . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.37 -179.665 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.566 0 N-CA-C 111.993 -0.443 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.5 m -71.9 -10.89 60.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 m -88.4 -25.99 22.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.007 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.517 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 9.6 t70 -88.09 128.51 53.44 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -51.88 -41.97 60.32 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 123.296 2.664 . . . . 0.0 114.518 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.517 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 20.4 ptt-85 -86.43 -17.96 32.97 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.975 -178.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . . . -55.84 -37.87 69.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.696 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -18.62 61.89 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.107 0.48 . . . . 0.0 111.097 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -131.83 40.78 3.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.669 0.747 . . . . 0.0 108.993 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.53 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 23.4 t . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.668 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 111.966 -0.454 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SEC . . . . . 0.587 'SE ' ' HB2' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.7 m -72.13 -7.9 51.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.317 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.4 m -88.63 -31.68 18.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.39 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.661 ' OD2' ' HG2' ' A' ' 7' ' ' ARG . 35.1 t70 -87.83 130.28 47.32 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.413 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -52.24 -44.38 46.69 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 123.4 2.733 . . . . 0.0 114.685 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.661 ' HG2' ' OD2' ' A' ' 5' ' ' ASP . 3.7 ptp85 -84.36 -4.84 59.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.127 0.489 . . . . 0.0 111.476 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SEC . . . . . 0.646 ' HA ' ' NH2' ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.39 -36.68 54.62 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.636 ' CD1' ' HG3' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -65.4 -15.41 62.57 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.088 0.471 . . . . 0.0 110.692 -179.1 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.646 ' NH2' ' HA ' ' A' ' 8' ' ' SEC . 29.1 mtm105 -117.06 35.14 4.77 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.587 ' HB2' 'SE ' ' A' ' 2' ' ' SEC . 50.5 t . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.407 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SEC . . . . . 0.722 'SE ' ' HB2' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.0 m -73.71 -4.03 31.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.215 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.2 m -88.5 -32.53 18.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.911 0.386 . . . . 0.0 110.675 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -87.96 131.52 42.82 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.919 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.21 -38.52 93.59 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.084 2.523 . . . . 0.0 114.009 -178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.05 -23.83 35.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.018 0.437 . . . . 0.0 111.612 -178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.03 -34.61 66.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.343 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -18.97 64.55 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.291 0.567 . . . . 0.0 110.534 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -120.21 39.17 3.77 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.722 ' HB2' 'SE ' ' A' ' 2' ' ' SEC . 44.1 t . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.39 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 111.92 -0.472 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.9 m -73.36 -9.08 58.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.1 m -88.27 -27.69 21.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.944 0.402 . . . . 0.0 110.723 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.647 ' OD2' ' HG3' ' A' ' 7' ' ' ARG . 22.8 t70 -87.46 127.77 57.41 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.897 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -52.37 -42.73 58.93 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 123.329 2.686 . . . . 0.0 114.154 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.647 ' HG3' ' OD2' ' A' ' 5' ' ' ASP . 8.6 ptt85 -83.16 -20.83 33.99 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . . . -56.22 -38.33 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.632 -179.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.416 ' CE3' ' HA ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -62.89 -19.51 64.24 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.109 0.48 . . . . 0.0 110.806 -179.245 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -128.5 39.8 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.543 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 24.8 t . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.621 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 111.992 -0.443 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.2 m -74.29 -5.88 44.73 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.525 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.3 m -88.59 -33.08 17.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.245 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.569 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 66.3 t0 -88.03 119.6 70.46 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -47.4 -38.17 26.53 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.838 3.025 . . . . 0.0 114.883 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.569 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 32.4 ptt180 -75.21 -28.05 59.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.031 0.443 . . . . 0.0 111.408 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.74 -31.79 68.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.214 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -18.34 64.33 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.237 0.541 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 11' ' ' ARG . 23.8 ttt-85 -115.95 31.28 6.82 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.642 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.0 t . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.728 179.887 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 112.013 -0.435 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.5 m -74.05 -4.39 35.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.019 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 m -88.25 -33.8 17.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.832 0.348 . . . . 0.0 110.683 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -88.17 127.51 57.05 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -54.3 -35.17 82.84 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.417 2.744 . . . . 0.0 114.113 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -80.07 -24.74 40.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.01 0.434 . . . . 0.0 111.286 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.551 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . . . -60.01 -29.44 68.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.635 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.546 ' HD1' ' HG3' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -60.25 -17.4 41.68 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.867 0.365 . . . . 0.0 111.709 -178.802 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.546 ' HG3' ' HD1' ' A' ' 10' ' ' TRP . 35.5 mtp85 -145.18 40.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.089 0.471 . . . . 0.0 109.788 178.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.551 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 48.7 t . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.642 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 111.933 -0.467 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 9' ' ' ALA . 39.1 m -73.74 -3.81 30.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.469 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m -88.24 -30.68 19.51 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.295 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -88.67 129.51 48.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.78 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.77 -36.93 83.94 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 123.37 2.713 . . . . 0.0 114.226 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -85.33 -21.35 28.97 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.6 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SEC . . . . . 0.425 ' C ' ' H ' ' A' ' 10' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 3' ' ' CYS . . . -74.93 17.87 0.2 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.271 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TRP . . . . . 0.425 ' H ' ' C ' ' A' ' 8' ' ' SEC . 0.2 OUTLIER -66.41 -14.51 62.26 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.144 0.497 . . . . 0.0 111.043 179.618 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 mtp-105 -133.23 43.25 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.864 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.0 t . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.277 -179.911 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 111.939 -0.464 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 m -71.47 -10.34 59.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.251 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.6 m -88.5 -22.3 23.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.166 0.508 . . . . 0.0 110.104 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.4 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 41.5 t0 -87.49 121.82 70.93 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.239 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.25 -37.51 49.66 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 123.169 2.579 . . . . 0.0 113.852 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.4 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 29.6 ptt-85 -86.39 -22.6 26.52 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.06 -29.54 65.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.685 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -20.12 65.12 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.369 0.605 . . . . 0.0 110.13 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -106.31 39.2 1.86 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.717 0.77 . . . . 0.0 109.109 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.217 -179.559 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.329 0 N-CA-C 111.959 -0.456 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.8 m -65.47 -9.65 27.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.554 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.6 m -88.0 -8.1 56.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.549 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 8.4 t70 -88.33 133.17 37.23 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -49.62 -42.22 43.3 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 123.404 2.736 . . . . 0.0 114.808 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.549 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 22.9 ptt-85 -87.64 -20.13 26.76 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.929 -0.482 . . . . 0.0 112.03 -178.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.56 -41.34 80.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.228 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -18.69 65.5 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.07 0.462 . . . . 0.0 110.261 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -99.44 28.33 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.751 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.498 -179.148 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.5 m -70.72 -12.44 61.55 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.304 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.5 m -88.97 -21.26 23.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.275 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.644 ' OD2' ' HG2' ' A' ' 7' ' ' ARG . 24.8 t70 -87.85 135.56 33.58 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.479 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.54 -44.45 49.37 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 123.188 2.592 . . . . 0.0 114.326 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.644 ' HG2' ' OD2' ' A' ' 5' ' ' ASP . 22.6 ptt-85 -87.75 -19.48 27.5 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.859 -178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.37 -34.54 70.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.793 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -20.54 66.39 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 121.306 0.574 . . . . 0.0 110.098 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 11' ' ' ARG . 65.7 ttt180 -95.99 30.92 2.26 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.247 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.435 -179.41 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 111.91 -0.476 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . 0.483 'SE ' HH21 ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.1 m -73.92 -7.15 51.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.496 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.8 m -88.57 -29.93 19.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -87.64 132.12 41.6 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.151 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.42 -39.97 85.21 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 123.188 2.592 . . . . 0.0 114.17 -178.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.34 -24.24 34.65 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 120.929 0.395 . . . . 0.0 111.631 -179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . 0.604 'SE ' HH21 ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.96 -30.3 67.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.404 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -62.71 -21.85 66.07 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 121.305 0.574 . . . . 0.0 109.959 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.604 HH21 'SE ' ' A' ' 8' ' ' SEC . 45.7 ttp180 -103.63 42.81 1.14 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.052 178.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.5 t . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.292 -179.476 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 N-CA-C 111.909 -0.476 . . . . 0.0 111.909 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.7 m -73.2 -7.42 51.39 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.493 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.5 m -88.57 -33.0 17.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.296 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -87.63 130.24 47.85 Favored Pre-proline 0 C--N 1.327 -0.376 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.17 -39.74 79.43 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 123.535 2.824 . . . . 0.0 114.335 -178.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -80.75 -21.15 41.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.297 0.57 . . . . 0.0 111.132 -179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . 0.439 ' HA ' ' NH2' ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.86 -29.13 54.63 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.171 -0.922 . . . . 0.0 113.087 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.592 ' CD1' ' HG3' ' A' ' 11' ' ' ARG . 0.7 OUTLIER -63.92 -14.52 54.25 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.249 0.547 . . . . 0.0 110.382 -179.699 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.592 ' HG3' ' CD1' ' A' ' 10' ' ' TRP . 62.1 mtm180 -106.8 32.5 4.52 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.453 177.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.6 t . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.416 -179.131 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 111.879 -0.488 . . . . 0.0 111.879 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . 0.408 'SE ' HH21 ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.6 m -72.7 -9.9 59.17 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.425 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 m -88.79 -27.25 21.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.632 ' OD2' ' HG2' ' A' ' 7' ' ' ARG . 31.9 t70 -87.55 131.42 43.86 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.365 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -51.19 -45.74 35.18 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 123.443 2.762 . . . . 0.0 114.753 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.632 ' HG2' ' OD2' ' A' ' 5' ' ' ASP . 3.2 ptp85 -83.41 -19.5 35.86 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 120.68 -0.408 . . . . 0.0 111.732 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . 0.666 'SE ' HH21 ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.81 -31.44 64.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.731 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -22.2 66.37 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.196 0.522 . . . . 0.0 110.229 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.666 HH21 'SE ' ' A' ' 8' ' ' SEC . 47.0 ttp180 -101.69 44.18 1.03 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.63 0.729 . . . . 0.0 109.114 178.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.341 -179.514 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 111.949 -0.461 . . . . 0.0 111.949 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.9 m -72.26 -8.83 56.99 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.416 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.0 m -88.72 -31.14 18.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.384 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 9.5 t70 -87.5 130.87 45.72 Favored Pre-proline 0 C--O 1.222 -0.383 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 5' ' ' ASP . 65.5 Cg_exo -52.88 -39.89 76.9 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 123.331 2.687 . . . . 0.0 114.484 -178.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -81.0 -23.89 38.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.141 0.496 . . . . 0.0 111.236 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.56 -32.53 65.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.446 -0.797 . . . . 0.0 112.537 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -65.44 -15.83 63.02 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.171 0.51 . . . . 0.0 110.007 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -101.19 27.74 5.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.218 178.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.0 t . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.465 -178.796 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.5 m -72.22 -11.03 60.54 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.353 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.3 m -88.86 -26.78 21.45 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.649 -179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.488 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 8.8 t70 -87.77 131.22 44.08 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -51.55 -44.29 44.93 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 123.447 2.765 . . . . 0.0 114.759 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.488 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 20.8 ptt-85 -86.79 -15.41 39.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.904 0.383 . . . . 0.0 111.588 -179.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . 0.862 'SE ' HH21 ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.63 -27.82 42.3 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.006 -0.997 . . . . 0.0 113.507 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.501 ' CD1' ' HG3' ' A' ' 11' ' ' ARG . 0.9 OUTLIER -64.26 -15.71 60.64 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.735 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.862 HH21 'SE ' ' A' ' 8' ' ' SEC . 82.1 mtm180 -102.67 33.85 3.03 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 177.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.4 t . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.452 -178.914 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.452 0 N-CA-C 112.009 -0.437 . . . . 0.0 112.009 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.3 m -76.24 -5.19 45.8 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.56 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.8 m -88.68 -34.79 17.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.512 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.558 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 65.7 t0 -87.89 120.06 70.7 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_exo -47.5 -39.13 28.82 Favored 'Trans proline' 0 CA--C 1.532 0.423 0 C-N-CA 123.852 3.035 . . . . 0.0 114.819 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.558 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 32.6 ptt180 -75.09 -26.74 59.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.157 0.503 . . . . 0.0 111.203 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . 0.53 'SE ' HH21 ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.13 -29.63 67.53 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.937 -1.029 . . . . 0.0 112.623 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.4 ' C ' ' CD1' ' A' ' 10' ' ' TRP . 0.5 OUTLIER -64.29 -16.79 62.81 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 121.306 0.574 . . . . 0.0 109.909 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.53 HH21 'SE ' ' A' ' 8' ' ' SEC . 40.5 ttp180 -115.17 32.0 6.33 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.549 178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.66 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 111.963 -0.455 . . . . 0.0 111.963 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.0 m -67.49 -8.08 30.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.424 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.9 m -87.12 -11.32 50.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.226 0.536 . . . . 0.0 109.87 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.643 ' OD2' ' HG2' ' A' ' 7' ' ' ARG . 30.9 t70 -87.47 127.04 60.14 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 178.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -47.21 -46.64 19.02 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 123.659 2.906 . . . . 0.0 115.518 -176.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.643 ' HG2' ' OD2' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -79.45 -22.47 44.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.994 -0.441 . . . . 0.0 111.741 -178.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . 0.823 'SE ' HH21 ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.2 -40.52 96.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.234 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -68.22 -27.3 66.25 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.823 HH21 'SE ' ' A' ' 8' ' ' SEC . 54.0 ttp180 -94.42 42.76 1.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 177.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.0 t . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.13 -179.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 111.864 -0.494 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 m -72.18 -9.46 58.47 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.296 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.2 m -88.72 -28.9 20.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.358 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -87.64 131.82 42.48 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.76 -39.31 84.28 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 123.52 2.813 . . . . 0.0 114.205 -178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -82.61 -25.56 33.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.084 0.469 . . . . 0.0 111.258 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . 0.59 'SE ' ' HE ' ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.12 -34.79 74.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.698 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.46 ' CD1' ' HG3' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -66.55 -16.4 64.13 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.373 0.606 . . . . 0.0 109.758 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.59 ' HE ' 'SE ' ' A' ' 8' ' ' SEC . 23.4 mtp85 -98.53 26.12 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.56 178.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.508 -178.78 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 N-CA-C 111.944 -0.462 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . 0.668 'SE ' ' HB2' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.4 m -72.11 -8.39 54.41 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.7 m -88.57 -27.03 21.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.784 0.326 . . . . 0.0 111.061 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.506 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 9.1 t70 -88.14 130.32 46.6 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -52.27 -43.44 53.59 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 123.323 2.682 . . . . 0.0 114.514 -178.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.506 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 19.8 ptt-85 -86.28 -16.24 38.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 0.0 111.67 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . 0.598 'SE ' HH12 ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.48 -36.4 64.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.94 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -62.69 -19.04 63.47 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.124 0.488 . . . . 0.0 110.723 -179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.67 ' HB3' ' NH1' ' A' ' 11' ' ' ARG . 6.8 ttp-105 -119.84 41.54 3.14 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.668 ' HB2' 'SE ' ' A' ' 2' ' ' SEC . 42.0 t . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.312 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.577 0 N-CA-C 112.347 -0.301 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.8 m -71.61 -7.87 50.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.965 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.0 m -88.44 -26.92 21.86 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.506 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -87.83 130.56 46.3 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -53.22 -39.12 81.73 Favored 'Trans proline' 0 CA--C 1.531 0.327 0 C-N-CA 123.328 2.685 . . . . 0.0 114.115 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -83.56 -24.04 31.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.002 0.429 . . . . 0.0 111.284 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.61 -31.68 68.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.914 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -64.81 -19.59 65.92 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 121.273 0.559 . . . . 0.0 109.997 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 11' ' ' ARG . 47.6 ttt85 -102.58 33.63 3.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.77 0.795 . . . . 0.0 109.252 178.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 30.0 t . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.37 -179.665 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.566 0 N-CA-C 111.993 -0.443 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 69.5 m -71.9 -10.89 60.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 m -88.4 -25.99 22.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.007 -179.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.517 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 9.6 t70 -88.09 128.51 53.44 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -51.88 -41.97 60.32 Favored 'Trans proline' 0 CA--C 1.531 0.346 0 C-N-CA 123.296 2.664 . . . . 0.0 114.518 -178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.517 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 20.4 ptt-85 -86.43 -17.96 32.97 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.783 -0.367 . . . . 0.0 111.975 -178.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . . . -55.84 -37.87 69.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.696 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -62.33 -18.62 61.89 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.107 0.48 . . . . 0.0 111.097 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -131.83 40.78 3.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.669 0.747 . . . . 0.0 108.993 179.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.53 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 23.4 t . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.668 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 111.966 -0.454 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . 0.587 'SE ' ' HB2' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.7 m -72.13 -7.9 51.63 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.317 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.4 m -88.63 -31.68 18.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.39 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.661 ' OD2' ' HG2' ' A' ' 7' ' ' ARG . 35.1 t70 -87.83 130.28 47.32 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.413 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -52.24 -44.38 46.69 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 123.4 2.733 . . . . 0.0 114.685 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.661 ' HG2' ' OD2' ' A' ' 5' ' ' ASP . 3.7 ptp85 -84.36 -4.84 59.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.127 0.489 . . . . 0.0 111.476 -178.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . 0.646 ' HA ' ' NH2' ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.39 -36.68 54.62 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.636 ' CD1' ' HG3' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -65.4 -15.41 62.57 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.088 0.471 . . . . 0.0 110.692 -179.1 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.646 ' NH2' ' HA ' ' A' ' 8' ' ' SEC . 29.1 mtm105 -117.06 35.14 4.77 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.587 ' HB2' 'SE ' ' A' ' 2' ' ' SEC . 50.5 t . . . . . 0 C--N 1.323 -0.545 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.407 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.392 0 N-CA-C 111.988 -0.445 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . 0.722 'SE ' ' HB2' ' A' ' 12' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.0 m -73.71 -4.03 31.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.215 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.2 m -88.5 -32.53 18.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.911 0.386 . . . . 0.0 110.675 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -87.96 131.52 42.82 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.919 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.21 -38.52 93.59 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.084 2.523 . . . . 0.0 114.009 -178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.05 -23.83 35.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.018 0.437 . . . . 0.0 111.612 -178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.03 -34.61 66.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.343 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -18.97 64.55 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.291 0.567 . . . . 0.0 110.534 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -120.21 39.17 3.77 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.722 ' HB2' 'SE ' ' A' ' 2' ' ' SEC . 44.1 t . . . . . 0 C--N 1.324 -0.543 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.39 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 111.92 -0.472 . . . . 0.0 111.92 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.9 m -73.36 -9.08 58.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.217 179.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.1 m -88.27 -27.69 21.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.944 0.402 . . . . 0.0 110.723 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.647 ' OD2' ' HG3' ' A' ' 7' ' ' ARG . 22.8 t70 -87.46 127.77 57.41 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.897 179.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -52.37 -42.73 58.93 Favored 'Trans proline' 0 CA--C 1.531 0.331 0 C-N-CA 123.329 2.686 . . . . 0.0 114.154 -178.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.647 ' HG3' ' OD2' ' A' ' 5' ' ' ASP . 8.6 ptt85 -83.16 -20.83 33.99 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.543 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . . . -56.22 -38.33 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.632 -179.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.416 ' CE3' ' HA ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -62.89 -19.51 64.24 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 121.109 0.48 . . . . 0.0 110.806 -179.245 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -128.5 39.8 3.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.543 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 24.8 t . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.621 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.391 0 N-CA-C 111.992 -0.443 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.2 m -74.29 -5.88 44.73 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.525 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.3 m -88.59 -33.08 17.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.245 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.569 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 66.3 t0 -88.03 119.6 70.46 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -47.4 -38.17 26.53 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.838 3.025 . . . . 0.0 114.883 -178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.569 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 32.4 ptt180 -75.21 -28.05 59.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.031 0.443 . . . . 0.0 111.408 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.74 -31.79 68.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.154 -0.93 . . . . 0.0 112.214 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -64.12 -18.34 64.33 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.237 0.541 . . . . 0.0 110.035 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 11' ' ' ARG . 23.8 ttt-85 -115.95 31.28 6.82 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.642 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.0 t . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.728 179.887 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 N-CA-C 112.013 -0.435 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 97.5 m -74.05 -4.39 35.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.019 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 m -88.25 -33.8 17.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.832 0.348 . . . . 0.0 110.683 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -88.17 127.51 57.05 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -54.3 -35.17 82.84 Favored 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 123.417 2.744 . . . . 0.0 114.113 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 ptp180 -80.07 -24.74 40.44 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.01 0.434 . . . . 0.0 111.286 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.551 ' HA ' ' HB2' ' A' ' 12' ' ' CYS . . . -60.01 -29.44 68.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.252 -0.886 . . . . 0.0 112.635 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.546 ' HD1' ' HG3' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -60.25 -17.4 41.68 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 120.867 0.365 . . . . 0.0 111.709 -178.802 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.546 ' HG3' ' HD1' ' A' ' 10' ' ' TRP . 35.5 mtp85 -145.18 40.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.089 0.471 . . . . 0.0 109.788 178.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.551 ' HB2' ' HA ' ' A' ' 9' ' ' ALA . 48.7 t . . . . . 0 C--N 1.322 -0.598 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.642 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 111.933 -0.467 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 9' ' ' ALA . 39.1 m -73.74 -3.81 30.72 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.469 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m -88.24 -30.68 19.51 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.295 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -88.67 129.51 48.59 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.78 179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.77 -36.93 83.94 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 123.37 2.713 . . . . 0.0 114.226 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -85.33 -21.35 28.97 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 120.841 -0.344 . . . . 0.0 111.6 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . 0.425 ' C ' ' H ' ' A' ' 10' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.43 ' HB2' ' HA ' ' A' ' 3' ' ' CYS . . . -74.93 17.87 0.2 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.061 -0.518 . . . . 0.0 112.271 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . 0.425 ' H ' ' C ' ' A' ' 8' ' ' SEC . 0.2 OUTLIER -66.41 -14.51 62.26 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 121.144 0.497 . . . . 0.0 111.043 179.618 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.4 mtp-105 -133.23 43.25 2.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.864 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.0 t . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.277 -179.911 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 N-CA-C 111.939 -0.464 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 m -71.47 -10.34 59.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.251 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.6 m -88.5 -22.3 23.7 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.166 0.508 . . . . 0.0 110.104 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.4 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 41.5 t0 -87.49 121.82 70.93 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.239 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.25 -37.51 49.66 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 123.169 2.579 . . . . 0.0 113.852 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.4 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 29.6 ptt-85 -86.39 -22.6 26.52 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.06 -29.54 65.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.685 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -20.12 65.12 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.369 0.605 . . . . 0.0 110.13 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.4 ttp85 -106.31 39.2 1.86 Allowed 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.717 0.77 . . . . 0.0 109.109 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.217 -179.559 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.329 0 N-CA-C 111.959 -0.456 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.8 m -65.47 -9.65 27.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.554 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.6 m -88.0 -8.1 56.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.549 ' OD1' ' HG2' ' A' ' 7' ' ' ARG . 8.4 t70 -88.33 133.17 37.23 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -49.62 -42.22 43.3 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 123.404 2.736 . . . . 0.0 114.808 -178.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.549 ' HG2' ' OD1' ' A' ' 5' ' ' ASP . 22.9 ptt-85 -87.64 -20.13 26.76 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 121.929 -0.482 . . . . 0.0 112.03 -178.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.56 -41.34 80.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.228 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -18.69 65.5 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-O 121.07 0.462 . . . . 0.0 110.261 -179.361 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -99.44 28.33 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.751 178.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.5 t . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.498 -179.148 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.5 m -70.72 -12.44 61.55 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.304 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.5 m -88.97 -21.26 23.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.275 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.644 ' OD2' ' HG2' ' A' ' 7' ' ' ARG . 24.8 t70 -87.85 135.56 33.58 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.479 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.54 -44.45 49.37 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 123.188 2.592 . . . . 0.0 114.326 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.644 ' HG2' ' OD2' ' A' ' 5' ' ' ASP . 22.6 ptt-85 -87.75 -19.48 27.5 Favored 'General case' 0 C--O 1.222 -0.386 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.859 -178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.37 -34.54 70.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.793 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -20.54 66.39 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-O 121.306 0.574 . . . . 0.0 110.098 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 11' ' ' ARG . 65.7 ttt180 -95.99 30.92 2.26 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.247 178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.323 -0.573 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.435 -179.41 . . . . . . . . 0 0 . 1 stop_ save_