data_1t9e_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 1t9e _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.579 HG21 ' HB ' ' A' ' 10' ' ' ILE . 77.7 p . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.692 0.282 . . . . 0.0 110.816 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -80.98 47.9 1.05 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.492 0.663 . . . . 0.0 110.287 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.6 p -129.44 -179.11 4.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.221 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.6 mt -136.78 119.1 11.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.79 142.97 76.37 Favored 'Cis proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.268 -1.555 . . . . 0.0 112.487 0.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -70.21 124.06 10.54 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.483 2.122 . . . . 0.0 112.129 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.579 ' HB ' HG21 ' A' ' 4' ' ' THR . 50.2 mm . . . . . 0 C--N 1.324 -0.517 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.91 -28.23 76.53 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.097 2.532 . . . . 0.0 113.325 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 111.19 -179.826 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.634 0.254 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -80.55 46.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.514 0.673 . . . . 0.0 110.472 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 p -114.23 -176.56 2.93 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.187 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.401 HD11 HG21 ' A' ' 7' ' ' ILE . 75.1 mt -139.55 112.94 7.85 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.3 Cg_exo -73.35 147.37 89.49 Favored 'Cis proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.803 -1.332 . . . . 0.0 112.317 -0.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 11.6 Cg_exo -70.52 126.02 12.37 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.731 2.287 . . . . 0.0 111.813 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.4 mt . . . . . 0 C--N 1.325 -0.492 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.558 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.17 -28.16 59.89 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 123.082 2.521 . . . . 0.0 113.473 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 120.753 0.311 . . . . 0.0 111.079 -179.588 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -84.47 49.91 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.631 0.729 . . . . 0.0 109.121 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 p -150.05 134.82 17.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.202 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 26.1 pt -89.49 133.93 33.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 123.038 0.211 . . . . 0.0 111.253 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.0 Cg_exo -73.29 131.75 24.23 Favored 'Cis proline' 0 C--N 1.346 0.418 0 C-N-CA 123.778 -1.342 . . . . 0.0 111.628 -0.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 39.0 Cg_exo -61.79 116.35 3.39 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.51 2.14 . . . . 0.0 112.391 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mm . . . . . 0 C--N 1.324 -0.526 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.554 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.63 -27.75 71.61 Favored 'Trans proline' 0 N--CA 1.473 0.312 0 C-N-CA 123.035 2.49 . . . . 0.0 113.396 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.741 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.564 HG21 ' HB ' ' A' ' 10' ' ' ILE . 77.4 p . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.807 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -82.71 46.75 1.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.196 0.522 . . . . 0.0 110.367 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -125.12 178.09 5.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.069 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.4 HG23 HD13 ' A' ' 7' ' ' ILE . 38.7 mm -132.95 117.65 15.02 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 64.8 Cg_endo -74.03 148.09 91.1 Favored 'Cis proline' 0 C--O 1.235 0.345 0 C-N-CA 123.369 -1.513 . . . . 0.0 112.484 -0.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 7.3 Cg_exo -72.64 125.35 10.51 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.751 2.301 . . . . 0.0 111.921 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.564 ' HB ' HG21 ' A' ' 4' ' ' THR . 69.7 mt . . . . . 0 C--N 1.323 -0.56 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 N--CA 1.45 -0.455 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -56.5 -28.28 72.99 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.907 2.405 . . . . 0.0 112.71 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.565 -179.755 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.451 HG21 ' HB ' ' A' ' 10' ' ' ILE . 58.5 p . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.973 0.416 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.427 ' HE2' ' HB2' ' A' ' 5' ' ' LYS . 9.0 ptmm? -82.03 48.14 1.2 Allowed 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.363 0.601 . . . . 0.0 109.825 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p -150.06 135.59 18.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.391 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 26.8 pt -89.73 134.13 32.82 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 123.067 0.23 . . . . 0.0 111.197 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.28 131.47 23.22 Favored 'Cis proline' 0 C--N 1.346 0.426 0 C-N-CA 123.763 -1.349 . . . . 0.0 111.738 -0.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 38.4 Cg_exo -61.73 116.73 3.63 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.556 2.17 . . . . 0.0 112.24 -178.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.451 ' HB ' HG21 ' A' ' 4' ' ' THR . 51.4 mm . . . . . 0 C--N 1.323 -0.568 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 4.8 m-85 . . . . . 0 C--O 1.237 0.402 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 12' ' ' PHE . 19.9 Cg_exo -66.72 54.43 0.42 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.685 2.923 . . . . 0.0 112.979 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.451 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.519 HG23 ' HB ' ' A' ' 10' ' ' ILE . 82.6 p . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.571 ' HB2' ' HZ1' ' A' ' 5' ' ' LYS . 9.7 mtmp? -82.54 49.26 1.43 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -152.57 133.75 14.27 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.217 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.491 HG23 ' HD3' ' A' ' 9' ' ' PRO . 25.9 pt -89.88 133.81 33.21 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.522 0.201 . . . . 0.0 111.246 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.85 132.65 27.67 Favored 'Cis proline' 0 C--N 1.347 0.478 0 C-N-CA 123.401 -1.499 . . . . 0.0 111.936 -0.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.491 ' HD3' HG23 ' A' ' 7' ' ' ILE . 21.4 Cg_endo -62.19 117.74 4.61 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.547 2.165 . . . . 0.0 112.382 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.519 ' HB ' HG23 ' A' ' 4' ' ' THR . 67.0 mt . . . . . 0 C--N 1.322 -0.591 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.97 -28.58 69.47 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.005 2.47 . . . . 0.0 113.342 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 0.0 111.092 -179.786 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.8 p . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.988 0.423 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 mtmm -85.04 50.13 1.88 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.399 0.618 . . . . 0.0 109.393 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 p -149.56 135.41 18.71 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.244 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.45 HD11 HG22 ' A' ' 7' ' ' ILE . 26.2 pt -89.47 133.94 33.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 123.026 0.204 . . . . 0.0 111.261 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.36 132.75 27.75 Favored 'Cis proline' 0 C--N 1.347 0.48 0 C-N-CA 123.748 -1.355 . . . . 0.0 111.662 -0.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.45 114.17 2.11 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.556 2.171 . . . . 0.0 112.281 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.3 mt . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.168 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.38 -31.68 69.05 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.967 2.445 . . . . 0.0 112.762 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.312 179.677 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.667 HG21 ' HB ' ' A' ' 10' ' ' ILE . 66.7 p . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.836 0.351 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -84.21 49.14 1.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.332 0.587 . . . . 0.0 109.588 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 p -147.71 136.01 21.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.327 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.476 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.7 mp -89.68 131.73 38.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.6 Cg_exo -73.71 131.54 23.76 Favored 'Cis proline' 0 C--N 1.35 0.625 0 C-N-CA 124.024 -1.24 . . . . 0.0 112.035 -0.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 35.0 Cg_exo -62.3 116.4 3.47 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.658 2.239 . . . . 0.0 112.384 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.667 ' HB ' HG21 ' A' ' 4' ' ' THR . 66.6 mt . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.606 179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -56.34 -29.23 76.03 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.783 2.322 . . . . 0.0 112.261 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.609 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.0 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -81.3 43.96 0.76 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.354 0.597 . . . . 0.0 110.557 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 p -103.93 -171.87 2.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.36 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.6 mt -140.04 109.39 7.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 74.0 Cg_endo -75.28 150.12 94.48 Favored 'Cis proline' 0 CA--C 1.533 0.456 0 C-N-CA 123.453 -1.478 . . . . 0.0 112.583 -0.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 13.8 Cg_exo -69.36 124.42 11.23 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.717 2.278 . . . . 0.0 111.605 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.1 mm . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 120.74 0.305 . . . . 0.0 110.211 179.908 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.58 -28.91 83.2 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.979 2.453 . . . . 0.0 112.666 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.394 -179.862 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.409 HG22 ' HB ' ' A' ' 10' ' ' ILE . 64.0 p . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.827 0.346 . . . . 0.0 110.782 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -84.16 48.72 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.452 0.644 . . . . 0.0 109.603 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 p -149.43 133.45 17.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.26 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.486 ' H ' HD11 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -89.72 134.2 32.7 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 123.045 0.215 . . . . 0.0 111.13 -179.629 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.59 131.79 23.72 Favored 'Cis proline' 0 C--N 1.346 0.442 0 C-N-CA 123.747 -1.356 . . . . 0.0 111.773 -0.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.94 118.45 5.34 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.563 2.176 . . . . 0.0 112.461 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.409 ' HB ' HG22 ' A' ' 4' ' ' THR . 50.4 mm . . . . . 0 C--N 1.323 -0.569 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.31 -28.71 81.12 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.21 2.606 . . . . 0.0 113.472 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.966 0.412 . . . . 0.0 110.922 -179.751 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.603 HG21 ' HB ' ' A' ' 10' ' ' ILE . 78.4 p . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.725 0.298 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -82.12 48.68 1.28 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.573 0.701 . . . . 0.0 109.813 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -134.75 178.85 6.69 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.848 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.456 HD13 ' N ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -135.61 124.57 15.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.809 0.338 . . . . 0.0 110.096 179.08 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 57.1 Cg_endo -71.36 142.1 71.99 Favored 'Cis proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.992 -1.67 . . . . 0.0 112.325 -0.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 15.4 Cg_exo -68.06 122.65 9.75 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.637 2.225 . . . . 0.0 112.02 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.603 ' HB ' HG21 ' A' ' 4' ' ' THR . 50.3 mm . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.91 -28.97 70.89 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.171 2.58 . . . . 0.0 113.464 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.945 -179.798 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.64 HG22 ' HB ' ' A' ' 10' ' ' ILE . 73.7 p . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.954 0.407 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -82.41 46.86 1.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.063 0.458 . . . . 0.0 110.512 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -131.94 176.65 8.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.102 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 77.6 mt -137.87 119.04 10.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -71.77 140.95 68.48 Favored 'Cis proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.725 -1.364 . . . . 0.0 112.292 -0.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.3 130.62 16.56 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.559 2.172 . . . . 0.0 112.536 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.64 ' HB ' HG22 ' A' ' 4' ' ' THR . 3.3 mp . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.11 -31.51 54.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.076 2.517 . . . . 0.0 113.499 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 111.054 -179.707 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.1 p . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -83.58 49.33 1.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.755 0.788 . . . . 0.0 109.315 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 p -149.28 134.79 18.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.295 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 pt -89.6 133.93 33.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 123.008 0.192 . . . . 0.0 111.243 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.1 Cg_exo -73.16 132.01 25.06 Favored 'Cis proline' 0 C--N 1.346 0.422 0 C-N-CA 123.716 -1.368 . . . . 0.0 111.696 -0.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 34.5 Cg_exo -60.64 115.06 2.42 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.712 2.275 . . . . 0.0 112.226 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.3 mt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.916 179.789 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.1 -30.85 72.51 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.065 2.51 . . . . 0.0 112.663 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.389 179.631 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.5 p . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.692 0.282 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -81.14 46.43 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.457 0.646 . . . . 0.0 110.452 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.2 p -121.39 177.53 5.15 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.125 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.4 mm -133.74 115.88 13.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -73.96 148.84 92.94 Favored 'Cis proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.278 -1.551 . . . . 0.0 112.475 -0.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -73.62 125.36 10.0 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.745 2.297 . . . . 0.0 112.097 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.182 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--O 1.237 0.438 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.99 53.57 0.62 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.485 2.79 . . . . 0.0 112.84 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--N 1.321 -0.662 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.678 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.59 HG23 ' HB ' ' A' ' 10' ' ' ILE . 71.6 p . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.728 0.299 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.26 49.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.33 0.586 . . . . 0.0 110.001 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -128.5 172.92 10.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.91 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.76 118.0 17.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.79 146.25 86.24 Favored 'Cis proline' 0 CA--C 1.531 0.35 0 C-N-CA 124.021 -1.241 . . . . 0.0 112.344 -0.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -71.27 125.82 11.72 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.708 2.272 . . . . 0.0 112.173 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.59 ' HB ' HG23 ' A' ' 4' ' ' THR . 66.0 mt . . . . . 0 C--N 1.326 -0.446 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -54.42 -29.24 57.9 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.952 2.435 . . . . 0.0 112.649 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.937 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.429 HG22 ' HB ' ' A' ' 10' ' ' ILE . 77.9 p . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.84 0.353 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -86.94 49.32 1.79 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.582 0.706 . . . . 0.0 109.148 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 p -148.5 134.28 18.94 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.989 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.9 pt -89.76 134.38 32.29 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 121.186 -0.206 . . . . 0.0 111.211 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.5 Cg_exo -73.8 132.59 27.43 Favored 'Cis proline' 0 C--N 1.344 0.335 0 C-N-CA 123.691 -1.379 . . . . 0.0 111.544 -0.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 37.3 Cg_exo -59.88 116.82 3.57 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.46 2.106 . . . . 0.0 112.271 -179.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.429 ' HB ' HG22 ' A' ' 4' ' ' THR . 49.5 mm . . . . . 0 C--N 1.324 -0.525 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.13 -27.87 58.02 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.014 2.476 . . . . 0.0 113.656 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.961 0.41 . . . . 0.0 111.07 -179.754 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.608 HG23 ' HB ' ' A' ' 10' ' ' ILE . 70.9 p . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -85.78 50.44 1.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.505 0.669 . . . . 0.0 110.028 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.3 p -135.6 177.67 7.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.675 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.403 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 23.9 pt -134.87 125.43 17.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.811 0.338 . . . . 0.0 110.265 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 9.7 Cg_exo -71.26 142.21 72.27 Favored 'Cis proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.096 -1.627 . . . . 0.0 111.828 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 15.6 Cg_exo -68.32 121.65 8.63 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.674 2.25 . . . . 0.0 112.193 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.608 ' HB ' HG23 ' A' ' 4' ' ' THR . 4.3 mp . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.46 -30.55 64.58 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.836 2.357 . . . . 0.0 112.701 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.312 179.619 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.511 HG23 ' HB ' ' A' ' 10' ' ' ILE . 70.2 p . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.794 0.331 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -81.81 49.84 1.42 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.297 0.57 . . . . 0.0 110.085 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.9 p -133.88 173.28 11.72 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.95 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.476 HD13 ' HD3' ' A' ' 9' ' ' PRO . 40.4 mm -131.01 119.68 18.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.34 144.67 81.76 Favored 'Cis proline' 0 C--O 1.234 0.304 0 C-N-CA 123.708 -1.372 . . . . 0.0 112.261 -0.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.476 ' HD3' HD13 ' A' ' 7' ' ' ILE . 55.8 Cg_endo -72.3 126.71 11.92 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.474 2.116 . . . . 0.0 112.315 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.511 ' HB ' HG23 ' A' ' 4' ' ' THR . 50.9 mm . . . . . 0 C--N 1.323 -0.564 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.81 -29.12 70.65 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.068 2.512 . . . . 0.0 113.532 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.989 -179.825 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.706 HG21 ' HB ' ' A' ' 10' ' ' ILE . 72.7 p . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.726 0.298 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -82.27 50.32 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.642 0.734 . . . . 0.0 110.073 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 p -139.98 -174.58 3.96 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.026 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.2 pt -137.37 126.93 15.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 120.875 0.369 . . . . 0.0 110.389 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.93 138.56 56.12 Favored 'Cis proline' 0 C--O 1.234 0.294 0 C-N-CA 122.78 -1.758 . . . . 0.0 112.15 -0.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.73 120.43 7.54 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.389 2.059 . . . . 0.0 112.003 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.706 ' HB ' HG21 ' A' ' 4' ' ' THR . 49.3 mm . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.684 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.17 -28.17 77.95 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.986 2.458 . . . . 0.0 112.628 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.573 -179.78 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.748 0.309 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 12.0 mptt -89.86 49.45 1.72 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.515 0.674 . . . . 0.0 109.935 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 p -122.21 -179.59 4.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.09 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.1 mt -137.61 114.55 9.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -73.81 145.54 84.32 Favored 'Cis proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.343 -1.524 . . . . 0.0 112.582 -0.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -70.71 128.1 14.72 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.534 2.156 . . . . 0.0 112.127 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.5 mm . . . . . 0 C--N 1.322 -0.589 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.779 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -57.5 -26.6 72.53 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.251 2.634 . . . . 0.0 113.527 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.125 -179.752 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.519 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.442 ' HE ' ' HB2' ' A' ' 2' ' ' ARG . 9.5 ttm180 -64.76 145.71 55.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.758 0.313 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.483 ' HG1' ' HB2' ' A' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.579 HG21 ' HB ' ' A' ' 10' ' ' ILE . 77.7 p -75.08 143.63 43.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.816 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -80.98 47.9 1.05 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.492 0.663 . . . . 0.0 110.287 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.6 p -129.44 -179.11 4.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.221 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.6 mt -136.78 119.1 11.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.79 142.97 76.37 Favored 'Cis proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.268 -1.555 . . . . 0.0 112.487 0.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.483 ' HB2' ' HG1' ' A' ' 3' ' ' ABA . 47.4 Cg_endo -70.21 124.06 10.54 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.483 2.122 . . . . 0.0 112.129 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.579 ' HB ' HG21 ' A' ' 4' ' ' THR . 50.2 mm -80.06 125.84 39.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -94.52 156.41 38.56 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.732 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.91 -28.23 76.53 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.097 2.532 . . . . 0.0 113.325 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 111.19 -179.826 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.525 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.58 149.09 31.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.134 0.493 . . . . 0.0 111.448 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.484 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.5 p -79.08 142.46 36.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.61 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -80.55 46.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.514 0.673 . . . . 0.0 110.472 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 p -114.23 -176.56 2.93 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.187 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.401 HD11 HG21 ' A' ' 7' ' ' ILE . 75.1 mt -139.55 112.94 7.85 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.3 Cg_exo -73.35 147.37 89.49 Favored 'Cis proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.803 -1.332 . . . . 0.0 112.317 -0.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 11.6 Cg_exo -70.52 126.02 12.37 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.731 2.287 . . . . 0.0 111.813 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 66.4 mt -79.95 122.46 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -89.67 147.33 37.48 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.397 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.17 -28.16 59.89 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 123.082 2.521 . . . . 0.0 113.473 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 120.753 0.311 . . . . 0.0 111.079 -179.588 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -66.07 148.88 51.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.948 0.404 . . . . 0.0 110.828 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.5 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.0 p -74.25 141.55 45.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.832 0.349 . . . . 0.0 110.875 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -84.47 49.91 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.631 0.729 . . . . 0.0 109.121 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 p -150.05 134.82 17.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.202 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 26.1 pt -89.49 133.93 33.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 123.038 0.211 . . . . 0.0 111.253 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.0 Cg_exo -73.29 131.75 24.23 Favored 'Cis proline' 0 C--N 1.346 0.418 0 C-N-CA 123.778 -1.342 . . . . 0.0 111.628 -0.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 39.0 Cg_exo -61.79 116.35 3.39 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.51 2.14 . . . . 0.0 112.391 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 50.3 mm -79.34 120.93 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -93.4 152.16 40.81 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.425 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.63 -27.75 71.61 Favored 'Trans proline' 0 N--CA 1.473 0.312 0 C-N-CA 123.035 2.49 . . . . 0.0 113.396 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.741 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.724 -0.151 . . . . 0.0 112.724 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.94 149.29 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.162 0.506 . . . . 0.0 111.76 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.462 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.564 HG21 ' HB ' ' A' ' 10' ' ' ILE . 77.4 p -72.0 144.66 48.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.795 0.331 . . . . 0.0 110.807 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -82.71 46.75 1.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.196 0.522 . . . . 0.0 110.367 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -125.12 178.09 5.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.069 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.4 HG23 HD13 ' A' ' 7' ' ' ILE . 38.7 mm -132.95 117.65 15.02 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 64.8 Cg_endo -74.03 148.09 91.1 Favored 'Cis proline' 0 C--O 1.235 0.345 0 C-N-CA 123.369 -1.513 . . . . 0.0 112.484 -0.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 7.3 Cg_exo -72.64 125.35 10.51 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.751 2.301 . . . . 0.0 111.921 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.564 ' HB ' HG21 ' A' ' 4' ' ' THR . 69.7 mt -79.85 121.15 32.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -90.65 148.92 39.65 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.428 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -56.5 -28.28 72.99 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.907 2.405 . . . . 0.0 112.71 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.565 -179.755 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.598 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 149.38 37.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.182 0.515 . . . . 0.0 111.796 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.507 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.451 HG21 ' HB ' ' A' ' 10' ' ' ILE . 58.5 p -72.74 140.77 48.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.973 0.416 . . . . 0.0 111.044 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.427 ' HE2' ' HB2' ' A' ' 5' ' ' LYS . 9.0 ptmm? -82.03 48.14 1.2 Allowed 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.363 0.601 . . . . 0.0 109.825 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p -150.06 135.59 18.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.391 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.405 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 26.8 pt -89.73 134.13 32.82 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 123.067 0.23 . . . . 0.0 111.197 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.28 131.47 23.22 Favored 'Cis proline' 0 C--N 1.346 0.426 0 C-N-CA 123.763 -1.349 . . . . 0.0 111.738 -0.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 7' ' ' ILE . 38.4 Cg_exo -61.73 116.73 3.63 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.556 2.17 . . . . 0.0 112.24 -178.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 51.4 mm -79.27 118.24 26.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 4.8 m-85 -86.18 145.03 39.54 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.423 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 12' ' ' PHE . 19.9 Cg_exo -66.72 54.43 0.42 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.685 2.923 . . . . 0.0 112.979 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.451 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.2 -0.36 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.434 ' HE ' ' HB2' ' A' ' 2' ' ' ARG . 9.9 ttm180 -65.34 145.67 55.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.849 0.357 . . . . 0.0 110.645 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.539 ' HG3' ' HB2' ' A' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.519 HG23 ' HB ' ' A' ' 10' ' ' ILE . 82.6 p -70.53 144.0 51.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.834 0.349 . . . . 0.0 110.818 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.571 ' HB2' ' HZ1' ' A' ' 5' ' ' LYS . 9.7 mtmp? -82.54 49.26 1.43 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.022 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -152.57 133.75 14.27 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.217 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.491 HG23 ' HD3' ' A' ' 9' ' ' PRO . 25.9 pt -89.88 133.81 33.21 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.522 0.201 . . . . 0.0 111.246 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.85 132.65 27.67 Favored 'Cis proline' 0 C--N 1.347 0.478 0 C-N-CA 123.401 -1.499 . . . . 0.0 111.936 -0.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HB2' ' HG3' ' A' ' 3' ' ' ABA . 21.4 Cg_endo -62.19 117.74 4.61 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.547 2.165 . . . . 0.0 112.382 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.519 ' HB ' HG23 ' A' ' 4' ' ' THR . 67.0 mt -79.34 126.84 39.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -90.26 159.69 41.44 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.503 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.97 -28.58 69.47 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.005 2.47 . . . . 0.0 113.342 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 0.0 111.092 -179.786 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.469 0 CA-C-O 120.385 -0.119 . . . . 0.0 112.863 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.637 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 9.2 ptp180 -64.14 146.88 53.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.192 0.52 . . . . 0.0 110.996 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.531 ' HG1' ' HG2' ' A' ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.8 p -72.34 141.23 48.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.988 0.423 . . . . 0.0 110.618 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 mtmm -85.04 50.13 1.88 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.399 0.618 . . . . 0.0 109.393 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 p -149.56 135.41 18.71 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.244 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.45 HD11 HG22 ' A' ' 7' ' ' ILE . 26.2 pt -89.47 133.94 33.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 123.026 0.204 . . . . 0.0 111.261 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.36 132.75 27.75 Favored 'Cis proline' 0 C--N 1.347 0.48 0 C-N-CA 123.748 -1.355 . . . . 0.0 111.662 -0.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.45 114.17 2.11 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.556 2.171 . . . . 0.0 112.281 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.3 mt -80.04 124.13 37.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.168 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . 0.531 ' HG2' ' HG1' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.637 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 4.7 m-85 -88.21 154.31 51.78 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.81 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.38 -31.68 69.05 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.967 2.445 . . . . 0.0 112.762 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.312 179.677 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 N-CA-C 112.75 -0.14 . . . . 0.0 112.75 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -61.32 152.7 28.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.308 0.575 . . . . 0.0 111.894 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.467 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.667 HG21 ' HB ' ' A' ' 10' ' ' ILE . 66.7 p -73.41 140.41 46.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.836 0.351 . . . . 0.0 111.0 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -84.21 49.14 1.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.332 0.587 . . . . 0.0 109.588 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 p -147.71 136.01 21.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.327 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.476 ' N ' HD12 ' A' ' 7' ' ' ILE . 3.7 mp -89.68 131.73 38.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.429 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.6 Cg_exo -73.71 131.54 23.76 Favored 'Cis proline' 0 C--N 1.35 0.625 0 C-N-CA 124.024 -1.24 . . . . 0.0 112.035 -0.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 35.0 Cg_exo -62.3 116.4 3.47 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.658 2.239 . . . . 0.0 112.384 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.667 ' HB ' HG21 ' A' ' 4' ' ' THR . 66.6 mt -79.55 119.09 28.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.606 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -88.2 146.41 38.08 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -56.34 -29.23 76.03 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.783 2.322 . . . . 0.0 112.261 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.609 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 112.769 -0.132 . . . . 0.0 112.769 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.412 ' HD3' ' HA ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -65.61 151.16 47.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.912 0.387 . . . . 0.0 111.213 -179.404 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.49 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.0 p -81.45 140.29 34.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.268 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -81.3 43.96 0.76 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.354 0.597 . . . . 0.0 110.557 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 p -103.93 -171.87 2.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.36 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.6 mt -140.04 109.39 7.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 74.0 Cg_endo -75.28 150.12 94.48 Favored 'Cis proline' 0 CA--C 1.533 0.456 0 C-N-CA 123.453 -1.478 . . . . 0.0 112.583 -0.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 13.8 Cg_exo -69.36 124.42 11.23 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.717 2.278 . . . . 0.0 111.605 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 50.1 mm -79.85 122.75 35.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.74 0.305 . . . . 0.0 110.211 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -91.3 146.37 33.31 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.58 -28.91 83.2 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.979 2.453 . . . . 0.0 112.666 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.394 -179.862 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.566 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -66.14 146.58 54.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.97 0.414 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.439 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.409 HG22 ' HB ' ' A' ' 10' ' ' ILE . 64.0 p -74.01 141.8 45.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.827 0.346 . . . . 0.0 110.782 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -84.16 48.72 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.452 0.644 . . . . 0.0 109.603 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 p -149.43 133.45 17.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.26 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.486 ' H ' HD11 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -89.72 134.2 32.7 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 123.045 0.215 . . . . 0.0 111.13 -179.629 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.59 131.79 23.72 Favored 'Cis proline' 0 C--N 1.346 0.442 0 C-N-CA 123.747 -1.356 . . . . 0.0 111.773 -0.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.94 118.45 5.34 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.563 2.176 . . . . 0.0 112.461 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.439 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 50.4 mm -79.64 124.27 37.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -92.38 153.37 42.79 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.535 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.31 -28.71 81.12 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.21 2.606 . . . . 0.0 113.472 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.966 0.412 . . . . 0.0 110.922 -179.751 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 111.954 -0.459 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -65.21 146.09 55.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.85 0.357 . . . . 0.0 110.771 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.499 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.603 HG21 ' HB ' ' A' ' 10' ' ' ILE . 78.4 p -74.83 144.81 43.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.868 -179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -82.12 48.68 1.28 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.573 0.701 . . . . 0.0 109.813 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -134.75 178.85 6.69 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.848 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.456 HD13 ' N ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -135.61 124.57 15.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.809 0.338 . . . . 0.0 110.096 179.08 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 57.1 Cg_endo -71.36 142.1 71.99 Favored 'Cis proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.992 -1.67 . . . . 0.0 112.325 -0.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 15.4 Cg_exo -68.06 122.65 9.75 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.637 2.225 . . . . 0.0 112.02 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.603 ' HB ' HG21 ' A' ' 4' ' ' THR . 50.3 mm -79.65 123.81 36.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -93.59 154.04 41.18 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.458 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.91 -28.97 70.89 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.171 2.58 . . . . 0.0 113.464 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.945 -179.798 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.565 0 N-CA-C 112.256 -0.338 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.81 153.46 28.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.922 0.391 . . . . 0.0 111.123 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.46 ' HG3' ' HB2' ' A' ' 9' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.64 HG22 ' HB ' ' A' ' 10' ' ' ILE . 73.7 p -67.16 152.62 45.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.954 0.407 . . . . 0.0 111.099 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -82.41 46.86 1.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.063 0.458 . . . . 0.0 110.512 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -131.94 176.65 8.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.102 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 77.6 mt -137.87 119.04 10.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -71.77 140.95 68.48 Favored 'Cis proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.725 -1.364 . . . . 0.0 112.292 -0.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.46 ' HB2' ' HG3' ' A' ' 3' ' ' ABA . 56.7 Cg_endo -72.3 130.62 16.56 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.559 2.172 . . . . 0.0 112.536 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.64 ' HB ' HG22 ' A' ' 4' ' ' THR . 3.3 mp -79.57 126.3 39.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -85.95 154.51 58.12 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.257 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.11 -31.51 54.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.076 2.517 . . . . 0.0 113.499 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 111.054 -179.707 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 112.908 -0.077 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.645 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 9.2 ptp180 -63.65 147.53 51.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.191 0.519 . . . . 0.0 111.033 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.413 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.1 p -72.29 141.52 48.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -83.58 49.33 1.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.755 0.788 . . . . 0.0 109.315 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 p -149.28 134.79 18.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.295 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 pt -89.6 133.93 33.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 123.008 0.192 . . . . 0.0 111.243 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.1 Cg_exo -73.16 132.01 25.06 Favored 'Cis proline' 0 C--N 1.346 0.422 0 C-N-CA 123.716 -1.368 . . . . 0.0 111.696 -0.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 34.5 Cg_exo -60.64 115.06 2.42 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.712 2.275 . . . . 0.0 112.226 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 62.3 mt -79.77 122.02 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.916 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.645 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 4.8 m-85 -88.75 154.69 50.49 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.1 -30.85 72.51 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.065 2.51 . . . . 0.0 112.663 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.389 179.631 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.508 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -64.42 150.92 45.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.186 0.517 . . . . 0.0 111.79 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.522 ' HG3' ' HG1' ' A' ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.5 p -75.1 143.66 43.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.806 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -81.14 46.43 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.457 0.646 . . . . 0.0 110.452 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.2 p -121.39 177.53 5.15 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.125 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 36.4 mm -133.74 115.88 13.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -73.96 148.84 92.94 Favored 'Cis proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.278 -1.551 . . . . 0.0 112.475 -0.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -73.62 125.36 10.0 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.745 2.297 . . . . 0.0 112.097 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 3.3 mp -80.02 121.38 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . 0.522 ' HG1' ' HG3' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -87.98 143.23 32.89 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.99 53.57 0.62 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.485 2.79 . . . . 0.0 112.84 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--N 1.321 -0.662 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.678 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.44 0 N-CA-C 113.686 0.234 . . . . 0.0 113.686 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.429 ' HE ' ' CG ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -60.38 155.36 18.2 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.27 0.557 . . . . 0.0 111.876 -179.393 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.433 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.59 HG23 ' HB ' ' A' ' 10' ' ' ILE . 71.6 p -71.5 148.9 46.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.977 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.26 49.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.33 0.586 . . . . 0.0 110.001 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -128.5 172.92 10.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.91 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.76 118.0 17.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -72.79 146.25 86.24 Favored 'Cis proline' 0 CA--C 1.531 0.35 0 C-N-CA 124.021 -1.241 . . . . 0.0 112.344 -0.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -71.27 125.82 11.72 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.708 2.272 . . . . 0.0 112.173 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.59 ' HB ' HG23 ' A' ' 4' ' ' THR . 66.0 mt -79.79 121.01 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -81.86 147.56 58.74 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -54.42 -29.24 57.9 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.952 2.435 . . . . 0.0 112.649 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.429 ' CG ' ' HE ' ' A' ' 2' ' ' ARG . 2.3 p30 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.937 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 112.217 -0.353 . . . . 0.0 112.217 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -68.8 146.44 52.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 0.0 110.352 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.464 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.429 HG22 ' HB ' ' A' ' 10' ' ' ILE . 77.9 p -68.53 144.01 54.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.651 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -86.94 49.32 1.79 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.582 0.706 . . . . 0.0 109.148 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 p -148.5 134.28 18.94 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.989 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.9 pt -89.76 134.38 32.29 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 121.186 -0.206 . . . . 0.0 111.211 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.5 Cg_exo -73.8 132.59 27.43 Favored 'Cis proline' 0 C--N 1.344 0.335 0 C-N-CA 123.691 -1.379 . . . . 0.0 111.544 -0.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 37.3 Cg_exo -59.88 116.82 3.57 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.46 2.106 . . . . 0.0 112.271 -179.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 49.5 mm -79.38 122.88 35.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -98.75 154.94 37.2 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.325 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.13 -27.87 58.02 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.014 2.476 . . . . 0.0 113.656 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.961 0.41 . . . . 0.0 111.07 -179.754 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 112.854 -0.098 . . . . 0.0 112.854 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.558 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 7.1 ptp180 -63.26 145.92 54.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.176 0.513 . . . . 0.0 111.12 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.608 HG23 ' HB ' ' A' ' 10' ' ' ILE . 70.9 p -71.72 147.3 47.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.778 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -85.78 50.44 1.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.505 0.669 . . . . 0.0 110.028 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.3 p -135.6 177.67 7.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.675 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.403 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 23.9 pt -134.87 125.43 17.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.811 0.338 . . . . 0.0 110.265 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 9.7 Cg_exo -71.26 142.21 72.27 Favored 'Cis proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.096 -1.627 . . . . 0.0 111.828 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 15.6 Cg_exo -68.32 121.65 8.63 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.674 2.25 . . . . 0.0 112.193 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.608 ' HB ' HG23 ' A' ' 4' ' ' THR . 4.3 mp -81.33 123.24 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.558 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 4.6 m-85 -87.14 154.21 54.61 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.648 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.46 -30.55 64.58 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.836 2.357 . . . . 0.0 112.701 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.312 179.619 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 112.084 -0.407 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -64.92 147.71 52.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 110.868 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.472 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.511 HG23 ' HB ' ' A' ' 10' ' ' ILE . 70.2 p -73.04 146.89 45.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.022 -179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -81.81 49.84 1.42 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.297 0.57 . . . . 0.0 110.085 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.9 p -133.88 173.28 11.72 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.95 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.476 HD13 ' HD3' ' A' ' 9' ' ' PRO . 40.4 mm -131.01 119.68 18.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.34 144.67 81.76 Favored 'Cis proline' 0 C--O 1.234 0.304 0 C-N-CA 123.708 -1.372 . . . . 0.0 112.261 -0.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.476 ' HD3' HD13 ' A' ' 7' ' ' ILE . 55.8 Cg_endo -72.3 126.71 11.92 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.474 2.116 . . . . 0.0 112.315 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.511 ' HB ' HG23 ' A' ' 4' ' ' THR . 50.9 mm -79.88 125.03 38.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -91.15 155.09 44.92 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.463 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.81 -29.12 70.65 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.068 2.512 . . . . 0.0 113.532 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.989 -179.825 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.692 -0.163 . . . . 0.0 112.692 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.05 150.16 30.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.266 0.555 . . . . 0.0 111.766 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.475 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.706 HG21 ' HB ' ' A' ' 10' ' ' ILE . 72.7 p -73.46 139.9 46.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.726 0.298 . . . . 0.0 110.66 -179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -82.27 50.32 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.642 0.734 . . . . 0.0 110.073 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 p -139.98 -174.58 3.96 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.026 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.2 pt -137.37 126.93 15.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 120.875 0.369 . . . . 0.0 110.389 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.93 138.56 56.12 Favored 'Cis proline' 0 C--O 1.234 0.294 0 C-N-CA 122.78 -1.758 . . . . 0.0 112.15 -0.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.73 120.43 7.54 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.389 2.059 . . . . 0.0 112.003 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.706 ' HB ' HG21 ' A' ' 4' ' ' THR . 49.3 mm -79.8 122.29 34.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.684 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . 0.434 ' HG1' ' HG2' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -92.71 147.26 33.81 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.441 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.17 -28.17 77.95 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.986 2.458 . . . . 0.0 112.628 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.573 -179.78 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 N-CA-C 111.992 -0.443 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -63.57 142.43 58.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.81 0.338 . . . . 0.0 110.559 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ABA . . . . . 0.488 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.2 p -74.41 152.46 39.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.748 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 12.0 mptt -89.86 49.45 1.72 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.515 0.674 . . . . 0.0 109.935 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 p -122.21 -179.59 4.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.09 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.1 mt -137.61 114.55 9.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -73.81 145.54 84.32 Favored 'Cis proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.343 -1.524 . . . . 0.0 112.582 -0.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -70.71 128.1 14.72 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.534 2.156 . . . . 0.0 112.127 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.488 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 48.5 mm -80.09 125.5 39.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -95.0 155.73 38.73 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.524 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -57.5 -26.6 72.53 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.251 2.634 . . . . 0.0 113.527 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.125 -179.752 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.692 0.282 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -80.98 47.9 1.05 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.492 0.663 . . . . 0.0 110.287 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.6 p -129.44 -179.11 4.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.221 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.6 mt -136.78 119.1 11.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.79 142.97 76.37 Favored 'Cis proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.268 -1.555 . . . . 0.0 112.487 0.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -70.21 124.06 10.54 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.483 2.122 . . . . 0.0 112.129 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 C--N 1.324 -0.517 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.787 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.91 -28.23 76.53 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.097 2.532 . . . . 0.0 113.325 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 111.19 -179.826 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.634 0.254 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -80.55 46.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.514 0.673 . . . . 0.0 110.472 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 p -114.23 -176.56 2.93 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.187 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.1 mt -139.55 112.94 7.85 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.502 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.3 Cg_exo -73.35 147.37 89.49 Favored 'Cis proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.803 -1.332 . . . . 0.0 112.317 -0.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 11.6 Cg_exo -70.52 126.02 12.37 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.731 2.287 . . . . 0.0 111.813 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.4 mt . . . . . 0 C--N 1.325 -0.492 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.558 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.17 -28.16 59.89 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 123.082 2.521 . . . . 0.0 113.473 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 120.753 0.311 . . . . 0.0 111.079 -179.588 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -84.47 49.91 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.631 0.729 . . . . 0.0 109.121 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 p -150.05 134.82 17.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.202 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 pt -89.49 133.93 33.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 123.038 0.211 . . . . 0.0 111.253 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.0 Cg_exo -73.29 131.75 24.23 Favored 'Cis proline' 0 C--N 1.346 0.418 0 C-N-CA 123.778 -1.342 . . . . 0.0 111.628 -0.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 39.0 Cg_exo -61.79 116.35 3.39 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.51 2.14 . . . . 0.0 112.391 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mm . . . . . 0 C--N 1.324 -0.526 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.554 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.63 -27.75 71.61 Favored 'Trans proline' 0 N--CA 1.473 0.312 0 C-N-CA 123.035 2.49 . . . . 0.0 113.396 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.741 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -82.71 46.75 1.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.196 0.522 . . . . 0.0 110.367 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -125.12 178.09 5.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.069 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.7 mm -132.95 117.65 15.02 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 64.8 Cg_endo -74.03 148.09 91.1 Favored 'Cis proline' 0 C--O 1.235 0.345 0 C-N-CA 123.369 -1.513 . . . . 0.0 112.484 -0.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 7.3 Cg_exo -72.64 125.35 10.51 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.751 2.301 . . . . 0.0 111.921 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.7 mt . . . . . 0 C--N 1.323 -0.56 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.252 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 N--CA 1.45 -0.455 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -56.5 -28.28 72.99 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.907 2.405 . . . . 0.0 112.71 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.565 -179.755 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.5 p . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.973 0.416 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HE2' ' HB2' ' A' ' 5' ' ' LYS . 9.0 ptmm? -82.03 48.14 1.2 Allowed 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.363 0.601 . . . . 0.0 109.825 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p -150.06 135.59 18.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.391 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.8 pt -89.73 134.13 32.82 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 123.067 0.23 . . . . 0.0 111.197 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.7 Cg_exo -73.28 131.47 23.22 Favored 'Cis proline' 0 C--N 1.346 0.426 0 C-N-CA 123.763 -1.349 . . . . 0.0 111.738 -0.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 38.4 Cg_exo -61.73 116.73 3.63 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.556 2.17 . . . . 0.0 112.24 -178.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.4 mm . . . . . 0 C--N 1.323 -0.568 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.564 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.476 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 4.8 m-85 . . . . . 0 C--O 1.237 0.402 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 12' ' ' PHE . 19.9 Cg_exo -66.72 54.43 0.42 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.685 2.923 . . . . 0.0 112.979 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.451 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -82.54 49.26 1.43 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -152.57 133.75 14.27 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.217 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.485 HG22 ' HD3' ' A' ' 9' ' ' PRO . 25.9 pt -89.88 133.81 33.21 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.522 0.201 . . . . 0.0 111.246 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.85 132.65 27.67 Favored 'Cis proline' 0 C--N 1.347 0.478 0 C-N-CA 123.401 -1.499 . . . . 0.0 111.936 -0.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' HG22 ' A' ' 7' ' ' ILE . 21.4 Cg_endo -62.19 117.74 4.61 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.547 2.165 . . . . 0.0 112.382 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--N 1.322 -0.591 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.544 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.97 -28.58 69.47 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.005 2.47 . . . . 0.0 113.342 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 0.0 111.092 -179.786 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.8 p . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.988 0.423 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 mtmm -85.04 50.13 1.88 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.399 0.618 . . . . 0.0 109.393 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 p -149.56 135.41 18.71 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.244 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.473 HG22 ' HD3' ' A' ' 9' ' ' PRO . 26.2 pt -89.47 133.94 33.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 123.026 0.204 . . . . 0.0 111.261 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.36 132.75 27.75 Favored 'Cis proline' 0 C--N 1.347 0.48 0 C-N-CA 123.748 -1.355 . . . . 0.0 111.662 -0.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD3' HG22 ' A' ' 7' ' ' ILE . 18.7 Cg_endo -61.45 114.17 2.11 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.556 2.171 . . . . 0.0 112.281 -179.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.3 mt . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.168 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.38 -31.68 69.05 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.967 2.445 . . . . 0.0 112.762 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.312 179.677 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.7 p . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.836 0.351 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -84.21 49.14 1.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.332 0.587 . . . . 0.0 109.588 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 p -147.71 136.01 21.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.327 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.68 131.73 38.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.488 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.6 Cg_exo -73.71 131.54 23.76 Favored 'Cis proline' 0 C--N 1.35 0.625 0 C-N-CA 124.024 -1.24 . . . . 0.0 112.035 -0.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 35.0 Cg_exo -62.3 116.4 3.47 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.658 2.239 . . . . 0.0 112.384 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.6 mt . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.606 179.442 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -56.34 -29.23 76.03 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.783 2.322 . . . . 0.0 112.261 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.609 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.0 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -81.3 43.96 0.76 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.354 0.597 . . . . 0.0 110.557 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 p -103.93 -171.87 2.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.36 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 75.6 mt -140.04 109.39 7.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 74.0 Cg_endo -75.28 150.12 94.48 Favored 'Cis proline' 0 CA--C 1.533 0.456 0 C-N-CA 123.453 -1.478 . . . . 0.0 112.583 -0.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 13.8 Cg_exo -69.36 124.42 11.23 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.717 2.278 . . . . 0.0 111.605 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.1 mm . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 120.74 0.305 . . . . 0.0 110.211 179.908 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.58 -28.91 83.2 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.979 2.453 . . . . 0.0 112.666 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.394 -179.862 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.827 0.346 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -84.16 48.72 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.452 0.644 . . . . 0.0 109.603 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 p -149.43 133.45 17.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.26 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.828 ' H ' HD13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -89.72 134.2 32.7 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 123.045 0.215 . . . . 0.0 111.13 -179.629 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.59 131.79 23.72 Favored 'Cis proline' 0 C--N 1.346 0.442 0 C-N-CA 123.747 -1.356 . . . . 0.0 111.773 -0.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.94 118.45 5.34 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.563 2.176 . . . . 0.0 112.461 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.4 mm . . . . . 0 C--N 1.323 -0.569 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.554 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.31 -28.71 81.12 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.21 2.606 . . . . 0.0 113.472 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.966 0.412 . . . . 0.0 110.922 -179.751 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.4 p . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.725 0.298 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -82.12 48.68 1.28 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.573 0.701 . . . . 0.0 109.813 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -134.75 178.85 6.69 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.848 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.432 ' N ' HD13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -135.61 124.57 15.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.809 0.338 . . . . 0.0 110.096 179.08 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.494 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 57.1 Cg_endo -71.36 142.1 71.99 Favored 'Cis proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.992 -1.67 . . . . 0.0 112.325 -0.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 15.4 Cg_exo -68.06 122.65 9.75 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.637 2.225 . . . . 0.0 112.02 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mm . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.472 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.91 -28.97 70.89 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.171 2.58 . . . . 0.0 113.464 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.945 -179.798 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.7 p . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.954 0.407 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -82.41 46.86 1.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.063 0.458 . . . . 0.0 110.512 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -131.94 176.65 8.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.102 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 77.6 mt -137.87 119.04 10.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -71.77 140.95 68.48 Favored 'Cis proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.725 -1.364 . . . . 0.0 112.292 -0.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.3 130.62 16.56 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.559 2.172 . . . . 0.0 112.536 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.926 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.11 -31.51 54.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.076 2.517 . . . . 0.0 113.499 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 111.054 -179.707 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.1 p . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -83.58 49.33 1.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.755 0.788 . . . . 0.0 109.315 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 p -149.28 134.79 18.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.295 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 pt -89.6 133.93 33.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 123.008 0.192 . . . . 0.0 111.243 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.474 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.1 Cg_exo -73.16 132.01 25.06 Favored 'Cis proline' 0 C--N 1.346 0.422 0 C-N-CA 123.716 -1.368 . . . . 0.0 111.696 -0.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 34.5 Cg_exo -60.64 115.06 2.42 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.712 2.275 . . . . 0.0 112.226 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.3 mt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.916 179.789 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.1 -30.85 72.51 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.065 2.51 . . . . 0.0 112.663 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.389 179.631 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.46 HG23 ' HE1' ' A' ' 12' ' ' PHE . 75.5 p . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.692 0.282 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -81.14 46.43 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.457 0.646 . . . . 0.0 110.452 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.2 p -121.39 177.53 5.15 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.125 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 36.4 mm -133.74 115.88 13.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 64.6 Cg_endo -73.96 148.84 92.94 Favored 'Cis proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.278 -1.551 . . . . 0.0 112.475 -0.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 6.3 Cg_exo -73.62 125.36 10.0 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.745 2.297 . . . . 0.0 112.097 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.182 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.46 ' HE1' HG23 ' A' ' 4' ' ' THR . 4.1 m-85 . . . . . 0 C--O 1.237 0.438 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.99 53.57 0.62 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.485 2.79 . . . . 0.0 112.84 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--N 1.321 -0.662 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.678 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.728 0.299 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -84.26 49.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.33 0.586 . . . . 0.0 110.001 179.404 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -128.5 172.92 10.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.91 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.76 118.0 17.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.7 Cg_exo -72.79 146.25 86.24 Favored 'Cis proline' 0 CA--C 1.531 0.35 0 C-N-CA 124.021 -1.241 . . . . 0.0 112.344 -0.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 10.4 Cg_exo -71.27 125.82 11.72 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.708 2.272 . . . . 0.0 112.173 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--N 1.326 -0.446 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.143 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -54.42 -29.24 57.9 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.952 2.435 . . . . 0.0 112.649 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.937 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.9 p . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.84 0.353 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -86.94 49.32 1.79 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.582 0.706 . . . . 0.0 109.148 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 p -148.5 134.28 18.94 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.989 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.422 HG22 ' HD3' ' A' ' 9' ' ' PRO . 23.9 pt -89.76 134.38 32.29 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 121.186 -0.206 . . . . 0.0 111.211 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.472 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.5 Cg_exo -73.8 132.59 27.43 Favored 'Cis proline' 0 C--N 1.344 0.335 0 C-N-CA 123.691 -1.379 . . . . 0.0 111.544 -0.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 37.3 Cg_exo -59.88 116.82 3.57 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.46 2.106 . . . . 0.0 112.271 -179.05 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.5 mm . . . . . 0 C--N 1.324 -0.525 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.481 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.13 -27.87 58.02 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.014 2.476 . . . . 0.0 113.656 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.961 0.41 . . . . 0.0 111.07 -179.754 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -85.78 50.44 1.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.505 0.669 . . . . 0.0 110.028 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.3 p -135.6 177.67 7.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.675 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.9 pt -134.87 125.43 17.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.811 0.338 . . . . 0.0 110.265 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 9.7 Cg_exo -71.26 142.21 72.27 Favored 'Cis proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.096 -1.627 . . . . 0.0 111.828 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 15.6 Cg_exo -68.32 121.65 8.63 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.674 2.25 . . . . 0.0 112.193 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.253 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.46 -30.55 64.58 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.836 2.357 . . . . 0.0 112.701 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.312 179.619 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.2 p . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.794 0.331 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -81.81 49.84 1.42 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.297 0.57 . . . . 0.0 110.085 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.9 p -133.88 173.28 11.72 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.95 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.478 HD13 ' HD3' ' A' ' 9' ' ' PRO . 40.4 mm -131.01 119.68 18.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.34 144.67 81.76 Favored 'Cis proline' 0 C--O 1.234 0.304 0 C-N-CA 123.708 -1.372 . . . . 0.0 112.261 -0.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.478 ' HD3' HD13 ' A' ' 7' ' ' ILE . 55.8 Cg_endo -72.3 126.71 11.92 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.474 2.116 . . . . 0.0 112.315 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.9 mm . . . . . 0 C--N 1.323 -0.564 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.356 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.81 -29.12 70.65 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.068 2.512 . . . . 0.0 113.532 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.989 -179.825 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.7 p . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.726 0.298 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -82.27 50.32 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.642 0.734 . . . . 0.0 110.073 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 p -139.98 -174.58 3.96 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.026 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.2 pt -137.37 126.93 15.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 120.875 0.369 . . . . 0.0 110.389 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.93 138.56 56.12 Favored 'Cis proline' 0 C--O 1.234 0.294 0 C-N-CA 122.78 -1.758 . . . . 0.0 112.15 -0.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.73 120.43 7.54 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.389 2.059 . . . . 0.0 112.003 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.3 mm . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.684 179.716 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.17 -28.17 77.95 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.986 2.458 . . . . 0.0 112.628 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.573 -179.78 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.748 0.309 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.45 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 12.0 mptt -89.86 49.45 1.72 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.515 0.674 . . . . 0.0 109.935 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 p -122.21 -179.59 4.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.09 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 72.1 mt -137.61 114.55 9.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 7' ' ' ILE . 65.0 Cg_endo -73.81 145.54 84.32 Favored 'Cis proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.343 -1.524 . . . . 0.0 112.582 -0.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -70.71 128.1 14.72 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.534 2.156 . . . . 0.0 112.127 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.5 mm . . . . . 0 C--N 1.322 -0.589 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.779 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -57.5 -26.6 72.53 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.251 2.634 . . . . 0.0 113.527 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.125 -179.752 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.519 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.432 ' HE ' ' HB2' ' A' ' 2' ' ' ARG . 9.5 ttm180 -64.76 145.71 55.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.758 0.313 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.475 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.7 p -75.08 143.63 43.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.816 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -80.98 47.9 1.05 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.492 0.663 . . . . 0.0 110.287 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.6 p -129.44 -179.11 4.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.221 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.6 mt -136.78 119.1 11.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.79 142.97 76.37 Favored 'Cis proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.268 -1.555 . . . . 0.0 112.487 0.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -70.21 124.06 10.54 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.483 2.122 . . . . 0.0 112.129 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 50.2 mm -80.06 125.84 39.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -94.52 156.41 38.56 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.732 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.91 -28.23 76.53 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.097 2.532 . . . . 0.0 113.325 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 111.19 -179.826 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.525 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.58 149.09 31.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.134 0.493 . . . . 0.0 111.448 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.493 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.5 p -79.08 142.46 36.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.61 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -80.55 46.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.514 0.673 . . . . 0.0 110.472 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 p -114.23 -176.56 2.93 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.187 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.1 mt -139.55 112.94 7.85 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.502 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.3 Cg_exo -73.35 147.37 89.49 Favored 'Cis proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.803 -1.332 . . . . 0.0 112.317 -0.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 11.6 Cg_exo -70.52 126.02 12.37 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.731 2.287 . . . . 0.0 111.813 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 66.4 mt -79.95 122.46 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -89.67 147.33 37.48 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.397 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.17 -28.16 59.89 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 123.082 2.521 . . . . 0.0 113.473 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 120.753 0.311 . . . . 0.0 111.079 -179.588 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -66.07 148.88 51.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.948 0.404 . . . . 0.0 110.828 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.514 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.0 p -74.25 141.55 45.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.832 0.349 . . . . 0.0 110.875 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -84.47 49.91 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.631 0.729 . . . . 0.0 109.121 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 p -150.05 134.82 17.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.202 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 pt -89.49 133.93 33.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 123.038 0.211 . . . . 0.0 111.253 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.0 Cg_exo -73.29 131.75 24.23 Favored 'Cis proline' 0 C--N 1.346 0.418 0 C-N-CA 123.778 -1.342 . . . . 0.0 111.628 -0.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 39.0 Cg_exo -61.79 116.35 3.39 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.51 2.14 . . . . 0.0 112.391 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 50.3 mm -79.34 120.93 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -93.4 152.16 40.81 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.425 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.63 -27.75 71.61 Favored 'Trans proline' 0 N--CA 1.473 0.312 0 C-N-CA 123.035 2.49 . . . . 0.0 113.396 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.741 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.724 -0.151 . . . . 0.0 112.724 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.94 149.29 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.162 0.506 . . . . 0.0 111.76 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.475 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.4 p -72.0 144.66 48.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.795 0.331 . . . . 0.0 110.807 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -82.71 46.75 1.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.196 0.522 . . . . 0.0 110.367 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -125.12 178.09 5.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.069 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.7 mm -132.95 117.65 15.02 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 64.8 Cg_endo -74.03 148.09 91.1 Favored 'Cis proline' 0 C--O 1.235 0.345 0 C-N-CA 123.369 -1.513 . . . . 0.0 112.484 -0.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 7.3 Cg_exo -72.64 125.35 10.51 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.751 2.301 . . . . 0.0 111.921 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 69.7 mt -79.85 121.15 32.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -90.65 148.92 39.65 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.428 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -56.5 -28.28 72.99 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.907 2.405 . . . . 0.0 112.71 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.565 -179.755 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.598 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 149.38 37.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.182 0.515 . . . . 0.0 111.796 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.519 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.5 p -72.74 140.77 48.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.973 0.416 . . . . 0.0 111.044 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HE2' ' HB2' ' A' ' 5' ' ' LYS . 9.0 ptmm? -82.03 48.14 1.2 Allowed 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.363 0.601 . . . . 0.0 109.825 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p -150.06 135.59 18.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.391 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.8 pt -89.73 134.13 32.82 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 123.067 0.23 . . . . 0.0 111.197 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.7 Cg_exo -73.28 131.47 23.22 Favored 'Cis proline' 0 C--N 1.346 0.426 0 C-N-CA 123.763 -1.349 . . . . 0.0 111.738 -0.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 38.4 Cg_exo -61.73 116.73 3.63 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.556 2.17 . . . . 0.0 112.24 -178.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 51.4 mm -79.27 118.24 26.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.476 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 4.8 m-85 -86.18 145.03 39.54 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.423 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 12' ' ' PHE . 19.9 Cg_exo -66.72 54.43 0.42 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.685 2.923 . . . . 0.0 112.979 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.451 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.2 -0.36 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.42 ' HE ' ' HB2' ' A' ' 2' ' ' ARG . 9.9 ttm180 -65.34 145.67 55.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.849 0.357 . . . . 0.0 110.645 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.481 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.6 p -70.53 144.0 51.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.834 0.349 . . . . 0.0 110.818 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -82.54 49.26 1.43 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -152.57 133.75 14.27 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.217 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.485 HG22 ' HD3' ' A' ' 9' ' ' PRO . 25.9 pt -89.88 133.81 33.21 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.522 0.201 . . . . 0.0 111.246 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.85 132.65 27.67 Favored 'Cis proline' 0 C--N 1.347 0.478 0 C-N-CA 123.401 -1.499 . . . . 0.0 111.936 -0.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' HG22 ' A' ' 7' ' ' ILE . 21.4 Cg_endo -62.19 117.74 4.61 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.547 2.165 . . . . 0.0 112.382 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.481 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 67.0 mt -79.34 126.84 39.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -90.26 159.69 41.44 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.503 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.97 -28.58 69.47 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.005 2.47 . . . . 0.0 113.342 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 0.0 111.092 -179.786 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.469 0 CA-C-O 120.385 -0.119 . . . . 0.0 112.863 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.642 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 9.2 ptp180 -64.14 146.88 53.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.192 0.52 . . . . 0.0 110.996 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.409 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.8 p -72.34 141.23 48.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.988 0.423 . . . . 0.0 110.618 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 mtmm -85.04 50.13 1.88 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.399 0.618 . . . . 0.0 109.393 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 p -149.56 135.41 18.71 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.244 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.473 HG22 ' HD3' ' A' ' 9' ' ' PRO . 26.2 pt -89.47 133.94 33.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 123.026 0.204 . . . . 0.0 111.261 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.36 132.75 27.75 Favored 'Cis proline' 0 C--N 1.347 0.48 0 C-N-CA 123.748 -1.355 . . . . 0.0 111.662 -0.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD3' HG22 ' A' ' 7' ' ' ILE . 18.7 Cg_endo -61.45 114.17 2.11 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.556 2.171 . . . . 0.0 112.281 -179.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 62.3 mt -80.04 124.13 37.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.168 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.642 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 4.7 m-85 -88.21 154.31 51.78 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.81 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.38 -31.68 69.05 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.967 2.445 . . . . 0.0 112.762 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.312 179.677 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 N-CA-C 112.75 -0.14 . . . . 0.0 112.75 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -61.32 152.7 28.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.308 0.575 . . . . 0.0 111.894 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.477 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.7 p -73.41 140.41 46.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.836 0.351 . . . . 0.0 111.0 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -84.21 49.14 1.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.332 0.587 . . . . 0.0 109.588 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 p -147.71 136.01 21.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.327 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.68 131.73 38.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.488 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.6 Cg_exo -73.71 131.54 23.76 Favored 'Cis proline' 0 C--N 1.35 0.625 0 C-N-CA 124.024 -1.24 . . . . 0.0 112.035 -0.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 35.0 Cg_exo -62.3 116.4 3.47 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.658 2.239 . . . . 0.0 112.384 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 66.6 mt -79.55 119.09 28.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.606 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -88.2 146.41 38.08 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -56.34 -29.23 76.03 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.783 2.322 . . . . 0.0 112.261 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.609 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 112.769 -0.132 . . . . 0.0 112.769 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.61 151.16 47.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.912 0.387 . . . . 0.0 111.213 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.506 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.0 p -81.45 140.29 34.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.268 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -81.3 43.96 0.76 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.354 0.597 . . . . 0.0 110.557 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 p -103.93 -171.87 2.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.36 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 75.6 mt -140.04 109.39 7.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 74.0 Cg_endo -75.28 150.12 94.48 Favored 'Cis proline' 0 CA--C 1.533 0.456 0 C-N-CA 123.453 -1.478 . . . . 0.0 112.583 -0.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 13.8 Cg_exo -69.36 124.42 11.23 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.717 2.278 . . . . 0.0 111.605 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 50.1 mm -79.85 122.75 35.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.74 0.305 . . . . 0.0 110.211 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -91.3 146.37 33.31 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.58 -28.91 83.2 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.979 2.453 . . . . 0.0 112.666 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.394 -179.862 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.566 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -66.14 146.58 54.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.97 0.414 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.449 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.0 p -74.01 141.8 45.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.827 0.346 . . . . 0.0 110.782 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -84.16 48.72 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.452 0.644 . . . . 0.0 109.603 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 p -149.43 133.45 17.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.26 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.828 ' H ' HD13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -89.72 134.2 32.7 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 123.045 0.215 . . . . 0.0 111.13 -179.629 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.59 131.79 23.72 Favored 'Cis proline' 0 C--N 1.346 0.442 0 C-N-CA 123.747 -1.356 . . . . 0.0 111.773 -0.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.94 118.45 5.34 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.563 2.176 . . . . 0.0 112.461 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 50.4 mm -79.64 124.27 37.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -92.38 153.37 42.79 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.535 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.31 -28.71 81.12 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.21 2.606 . . . . 0.0 113.472 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.966 0.412 . . . . 0.0 110.922 -179.751 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 111.954 -0.459 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.416 ' HB2' ' OD1' ' A' ' 14' ' ' ASP . 3.5 tpp180 -65.21 146.09 55.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.85 0.357 . . . . 0.0 110.771 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.51 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.4 p -74.83 144.81 43.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.868 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -82.12 48.68 1.28 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.573 0.701 . . . . 0.0 109.813 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -134.75 178.85 6.69 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.848 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.432 ' N ' HD13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -135.61 124.57 15.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.809 0.338 . . . . 0.0 110.096 179.08 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.494 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 57.1 Cg_endo -71.36 142.1 71.99 Favored 'Cis proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.992 -1.67 . . . . 0.0 112.325 -0.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 15.4 Cg_exo -68.06 122.65 9.75 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.637 2.225 . . . . 0.0 112.02 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 50.3 mm -79.65 123.81 36.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -93.59 154.04 41.18 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.458 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.91 -28.97 70.89 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.171 2.58 . . . . 0.0 113.464 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' OD1' ' HB2' ' A' ' 2' ' ' ARG . 4.6 p-10 . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.945 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.565 0 N-CA-C 112.256 -0.338 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.81 153.46 28.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.922 0.391 . . . . 0.0 111.123 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.452 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.7 p -67.16 152.62 45.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.954 0.407 . . . . 0.0 111.099 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -82.41 46.86 1.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.063 0.458 . . . . 0.0 110.512 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -131.94 176.65 8.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.102 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 77.6 mt -137.87 119.04 10.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -71.77 140.95 68.48 Favored 'Cis proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.725 -1.364 . . . . 0.0 112.292 -0.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.3 130.62 16.56 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.559 2.172 . . . . 0.0 112.536 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 3.3 mp -79.57 126.3 39.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -85.95 154.51 58.12 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.257 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.11 -31.51 54.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.076 2.517 . . . . 0.0 113.499 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 111.054 -179.707 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 112.908 -0.077 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.648 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 9.2 ptp180 -63.65 147.53 51.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.191 0.519 . . . . 0.0 111.033 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.448 ' HG3' ' HG2' ' A' ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.1 p -72.29 141.52 48.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -83.58 49.33 1.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.755 0.788 . . . . 0.0 109.315 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 p -149.28 134.79 18.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.295 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 pt -89.6 133.93 33.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 123.008 0.192 . . . . 0.0 111.243 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.474 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.1 Cg_exo -73.16 132.01 25.06 Favored 'Cis proline' 0 C--N 1.346 0.422 0 C-N-CA 123.716 -1.368 . . . . 0.0 111.696 -0.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 34.5 Cg_exo -60.64 115.06 2.42 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.712 2.275 . . . . 0.0 112.226 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 62.3 mt -79.77 122.02 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.916 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ABA . . . . . 0.448 ' HG2' ' HG3' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.648 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 4.8 m-85 -88.75 154.69 50.49 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.1 -30.85 72.51 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.065 2.51 . . . . 0.0 112.663 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.389 179.631 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.508 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -64.42 150.92 45.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.186 0.517 . . . . 0.0 111.79 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.434 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.46 HG23 ' HE1' ' A' ' 12' ' ' PHE . 75.5 p -75.1 143.66 43.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.806 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -81.14 46.43 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.457 0.646 . . . . 0.0 110.452 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.2 p -121.39 177.53 5.15 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.125 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 36.4 mm -133.74 115.88 13.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 64.6 Cg_endo -73.96 148.84 92.94 Favored 'Cis proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.278 -1.551 . . . . 0.0 112.475 -0.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 6.3 Cg_exo -73.62 125.36 10.0 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.745 2.297 . . . . 0.0 112.097 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 3.3 mp -80.02 121.38 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.46 ' HE1' HG23 ' A' ' 4' ' ' THR . 4.1 m-85 -87.98 143.23 32.89 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.99 53.57 0.62 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.485 2.79 . . . . 0.0 112.84 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--N 1.321 -0.662 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.678 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.44 0 N-CA-C 113.686 0.234 . . . . 0.0 113.686 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.454 ' HE ' ' CG ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -60.38 155.36 18.2 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.27 0.557 . . . . 0.0 111.876 -179.393 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.445 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.6 p -71.5 148.9 46.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.977 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -84.26 49.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.33 0.586 . . . . 0.0 110.001 179.404 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -128.5 172.92 10.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.91 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.76 118.0 17.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.7 Cg_exo -72.79 146.25 86.24 Favored 'Cis proline' 0 CA--C 1.531 0.35 0 C-N-CA 124.021 -1.241 . . . . 0.0 112.344 -0.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 10.4 Cg_exo -71.27 125.82 11.72 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.708 2.272 . . . . 0.0 112.173 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 66.0 mt -79.79 121.01 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -81.86 147.56 58.74 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -54.42 -29.24 57.9 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.952 2.435 . . . . 0.0 112.649 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' CG ' ' HE ' ' A' ' 2' ' ' ARG . 2.3 p30 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.937 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 112.217 -0.353 . . . . 0.0 112.217 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -68.8 146.44 52.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 0.0 110.352 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.475 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.9 p -68.53 144.01 54.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.651 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -86.94 49.32 1.79 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.582 0.706 . . . . 0.0 109.148 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 p -148.5 134.28 18.94 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.989 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.422 HG22 ' HD3' ' A' ' 9' ' ' PRO . 23.9 pt -89.76 134.38 32.29 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 121.186 -0.206 . . . . 0.0 111.211 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.472 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.5 Cg_exo -73.8 132.59 27.43 Favored 'Cis proline' 0 C--N 1.344 0.335 0 C-N-CA 123.691 -1.379 . . . . 0.0 111.544 -0.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 37.3 Cg_exo -59.88 116.82 3.57 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.46 2.106 . . . . 0.0 112.271 -179.05 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 49.5 mm -79.38 122.88 35.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -98.75 154.94 37.2 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.325 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.13 -27.87 58.02 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.014 2.476 . . . . 0.0 113.656 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.961 0.41 . . . . 0.0 111.07 -179.754 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 112.854 -0.098 . . . . 0.0 112.854 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.546 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 7.1 ptp180 -63.26 145.92 54.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.176 0.513 . . . . 0.0 111.12 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.9 p -71.72 147.3 47.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.778 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -85.78 50.44 1.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.505 0.669 . . . . 0.0 110.028 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.3 p -135.6 177.67 7.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.675 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.9 pt -134.87 125.43 17.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.811 0.338 . . . . 0.0 110.265 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 9.7 Cg_exo -71.26 142.21 72.27 Favored 'Cis proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.096 -1.627 . . . . 0.0 111.828 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 15.6 Cg_exo -68.32 121.65 8.63 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.674 2.25 . . . . 0.0 112.193 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.33 123.24 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.546 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 4.6 m-85 -87.14 154.21 54.61 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.648 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.46 -30.55 64.58 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.836 2.357 . . . . 0.0 112.701 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.312 179.619 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 112.084 -0.407 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -64.92 147.71 52.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 110.868 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.483 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.2 p -73.04 146.89 45.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.022 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -81.81 49.84 1.42 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.297 0.57 . . . . 0.0 110.085 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.9 p -133.88 173.28 11.72 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.95 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.478 HD13 ' HD3' ' A' ' 9' ' ' PRO . 40.4 mm -131.01 119.68 18.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.34 144.67 81.76 Favored 'Cis proline' 0 C--O 1.234 0.304 0 C-N-CA 123.708 -1.372 . . . . 0.0 112.261 -0.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.478 ' HD3' HD13 ' A' ' 7' ' ' ILE . 55.8 Cg_endo -72.3 126.71 11.92 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.474 2.116 . . . . 0.0 112.315 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 50.9 mm -79.88 125.03 38.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -91.15 155.09 44.92 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.463 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.81 -29.12 70.65 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.068 2.512 . . . . 0.0 113.532 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.989 -179.825 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.692 -0.163 . . . . 0.0 112.692 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.05 150.16 30.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.266 0.555 . . . . 0.0 111.766 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.484 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.7 p -73.46 139.9 46.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.726 0.298 . . . . 0.0 110.66 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -82.27 50.32 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.642 0.734 . . . . 0.0 110.073 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 p -139.98 -174.58 3.96 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.026 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.2 pt -137.37 126.93 15.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 120.875 0.369 . . . . 0.0 110.389 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.93 138.56 56.12 Favored 'Cis proline' 0 C--O 1.234 0.294 0 C-N-CA 122.78 -1.758 . . . . 0.0 112.15 -0.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.73 120.43 7.54 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.389 2.059 . . . . 0.0 112.003 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 49.3 mm -79.8 122.29 34.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.684 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -92.71 147.26 33.81 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.441 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.17 -28.17 77.95 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.986 2.458 . . . . 0.0 112.628 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.573 -179.78 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 N-CA-C 111.992 -0.443 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.405 ' HB2' ' OD1' ' A' ' 14' ' ' ASP . 9.0 ttm180 -63.57 142.43 58.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.81 0.338 . . . . 0.0 110.559 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ABA . . . . . 0.501 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.2 p -74.41 152.46 39.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.748 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.45 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 12.0 mptt -89.86 49.45 1.72 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.515 0.674 . . . . 0.0 109.935 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 p -122.21 -179.59 4.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.09 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 72.1 mt -137.61 114.55 9.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 7' ' ' ILE . 65.0 Cg_endo -73.81 145.54 84.32 Favored 'Cis proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.343 -1.524 . . . . 0.0 112.582 -0.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -70.71 128.1 14.72 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.534 2.156 . . . . 0.0 112.127 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 48.5 mm -80.09 125.5 39.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -95.0 155.73 38.73 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.524 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -57.5 -26.6 72.53 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.251 2.634 . . . . 0.0 113.527 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' OD1' ' HB2' ' A' ' 2' ' ' ARG . 8.9 p-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.125 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.692 0.282 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -80.98 47.9 1.05 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.492 0.663 . . . . 0.0 110.287 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.6 p -129.44 -179.11 4.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.221 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.6 mt -136.78 119.1 11.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.79 142.97 76.37 Favored 'Cis proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.268 -1.555 . . . . 0.0 112.487 0.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -70.21 124.06 10.54 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.483 2.122 . . . . 0.0 112.129 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 C--N 1.324 -0.517 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.787 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.91 -28.23 76.53 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.097 2.532 . . . . 0.0 113.325 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 111.19 -179.826 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.5 p . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.634 0.254 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -80.55 46.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.514 0.673 . . . . 0.0 110.472 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 p -114.23 -176.56 2.93 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.187 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.1 mt -139.55 112.94 7.85 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.502 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.3 Cg_exo -73.35 147.37 89.49 Favored 'Cis proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.803 -1.332 . . . . 0.0 112.317 -0.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 11.6 Cg_exo -70.52 126.02 12.37 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.731 2.287 . . . . 0.0 111.813 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.4 mt . . . . . 0 C--N 1.325 -0.492 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.558 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.17 -28.16 59.89 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 123.082 2.521 . . . . 0.0 113.473 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 120.753 0.311 . . . . 0.0 111.079 -179.588 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.832 0.349 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -84.47 49.91 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.631 0.729 . . . . 0.0 109.121 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 p -150.05 134.82 17.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.202 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 pt -89.49 133.93 33.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 123.038 0.211 . . . . 0.0 111.253 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.0 Cg_exo -73.29 131.75 24.23 Favored 'Cis proline' 0 C--N 1.346 0.418 0 C-N-CA 123.778 -1.342 . . . . 0.0 111.628 -0.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 39.0 Cg_exo -61.79 116.35 3.39 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.51 2.14 . . . . 0.0 112.391 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mm . . . . . 0 C--N 1.324 -0.526 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.554 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.63 -27.75 71.61 Favored 'Trans proline' 0 N--CA 1.473 0.312 0 C-N-CA 123.035 2.49 . . . . 0.0 113.396 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.741 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.4 p . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.795 0.331 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -82.71 46.75 1.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.196 0.522 . . . . 0.0 110.367 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -125.12 178.09 5.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.069 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.7 mm -132.95 117.65 15.02 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 64.8 Cg_endo -74.03 148.09 91.1 Favored 'Cis proline' 0 C--O 1.235 0.345 0 C-N-CA 123.369 -1.513 . . . . 0.0 112.484 -0.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 7.3 Cg_exo -72.64 125.35 10.51 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.751 2.301 . . . . 0.0 111.921 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.7 mt . . . . . 0 C--N 1.323 -0.56 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.252 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 N--CA 1.45 -0.455 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -56.5 -28.28 72.99 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.907 2.405 . . . . 0.0 112.71 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.565 -179.755 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.5 p . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.973 0.416 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HE2' ' HB2' ' A' ' 5' ' ' LYS . 9.0 ptmm? -82.03 48.14 1.2 Allowed 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.363 0.601 . . . . 0.0 109.825 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p -150.06 135.59 18.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.391 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.8 pt -89.73 134.13 32.82 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 123.067 0.23 . . . . 0.0 111.197 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.7 Cg_exo -73.28 131.47 23.22 Favored 'Cis proline' 0 C--N 1.346 0.426 0 C-N-CA 123.763 -1.349 . . . . 0.0 111.738 -0.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 38.4 Cg_exo -61.73 116.73 3.63 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.556 2.17 . . . . 0.0 112.24 -178.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.4 mm . . . . . 0 C--N 1.323 -0.568 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.564 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.476 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 4.8 m-85 . . . . . 0 C--O 1.237 0.402 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 12' ' ' PHE . 19.9 Cg_exo -66.72 54.43 0.42 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.685 2.923 . . . . 0.0 112.979 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.451 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.834 0.349 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -82.54 49.26 1.43 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -152.57 133.75 14.27 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.217 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.485 HG22 ' HD3' ' A' ' 9' ' ' PRO . 25.9 pt -89.88 133.81 33.21 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.522 0.201 . . . . 0.0 111.246 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.85 132.65 27.67 Favored 'Cis proline' 0 C--N 1.347 0.478 0 C-N-CA 123.401 -1.499 . . . . 0.0 111.936 -0.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' HG22 ' A' ' 7' ' ' ILE . 21.4 Cg_endo -62.19 117.74 4.61 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.547 2.165 . . . . 0.0 112.382 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--N 1.322 -0.591 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.544 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.97 -28.58 69.47 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.005 2.47 . . . . 0.0 113.342 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 0.0 111.092 -179.786 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.8 p . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.988 0.423 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 mtmm -85.04 50.13 1.88 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.399 0.618 . . . . 0.0 109.393 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 p -149.56 135.41 18.71 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.244 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.473 HG22 ' HD3' ' A' ' 9' ' ' PRO . 26.2 pt -89.47 133.94 33.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 123.026 0.204 . . . . 0.0 111.261 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.36 132.75 27.75 Favored 'Cis proline' 0 C--N 1.347 0.48 0 C-N-CA 123.748 -1.355 . . . . 0.0 111.662 -0.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD3' HG22 ' A' ' 7' ' ' ILE . 18.7 Cg_endo -61.45 114.17 2.11 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.556 2.171 . . . . 0.0 112.281 -179.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.3 mt . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.168 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.38 -31.68 69.05 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.967 2.445 . . . . 0.0 112.762 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.312 179.677 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.7 p . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.836 0.351 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -84.21 49.14 1.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.332 0.587 . . . . 0.0 109.588 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 p -147.71 136.01 21.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.327 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.68 131.73 38.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.488 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.6 Cg_exo -73.71 131.54 23.76 Favored 'Cis proline' 0 C--N 1.35 0.625 0 C-N-CA 124.024 -1.24 . . . . 0.0 112.035 -0.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 35.0 Cg_exo -62.3 116.4 3.47 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.658 2.239 . . . . 0.0 112.384 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.6 mt . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.606 179.442 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 N--CA 1.45 -0.438 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -56.34 -29.23 76.03 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.783 2.322 . . . . 0.0 112.261 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.609 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.0 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -81.3 43.96 0.76 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.354 0.597 . . . . 0.0 110.557 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 p -103.93 -171.87 2.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.36 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 75.6 mt -140.04 109.39 7.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 74.0 Cg_endo -75.28 150.12 94.48 Favored 'Cis proline' 0 CA--C 1.533 0.456 0 C-N-CA 123.453 -1.478 . . . . 0.0 112.583 -0.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 13.8 Cg_exo -69.36 124.42 11.23 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.717 2.278 . . . . 0.0 111.605 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.1 mm . . . . . 0 C--N 1.326 -0.417 0 CA-C-O 120.74 0.305 . . . . 0.0 110.211 179.908 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 N--CA 1.451 -0.419 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.58 -28.91 83.2 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.979 2.453 . . . . 0.0 112.666 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.394 -179.862 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.827 0.346 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -84.16 48.72 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.452 0.644 . . . . 0.0 109.603 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 p -149.43 133.45 17.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.26 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.828 HD13 ' H ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -89.72 134.2 32.7 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 123.045 0.215 . . . . 0.0 111.13 -179.629 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.59 131.79 23.72 Favored 'Cis proline' 0 C--N 1.346 0.442 0 C-N-CA 123.747 -1.356 . . . . 0.0 111.773 -0.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.94 118.45 5.34 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.563 2.176 . . . . 0.0 112.461 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.4 mm . . . . . 0 C--N 1.323 -0.569 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.554 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.31 -28.71 81.12 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.21 2.606 . . . . 0.0 113.472 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.966 0.412 . . . . 0.0 110.922 -179.751 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.4 p . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.725 0.298 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -82.12 48.68 1.28 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.573 0.701 . . . . 0.0 109.813 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -134.75 178.85 6.69 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.848 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.432 HD13 ' N ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -135.61 124.57 15.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.809 0.338 . . . . 0.0 110.096 179.08 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.494 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 57.1 Cg_endo -71.36 142.1 71.99 Favored 'Cis proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.992 -1.67 . . . . 0.0 112.325 -0.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 15.4 Cg_exo -68.06 122.65 9.75 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.637 2.225 . . . . 0.0 112.02 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mm . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.472 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 . . . . . 0 N--CA 1.452 -0.367 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.91 -28.97 70.89 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.171 2.58 . . . . 0.0 113.464 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.945 -179.798 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.7 p . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.954 0.407 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -82.41 46.86 1.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.063 0.458 . . . . 0.0 110.512 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -131.94 176.65 8.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.102 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 77.6 mt -137.87 119.04 10.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -71.77 140.95 68.48 Favored 'Cis proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.725 -1.364 . . . . 0.0 112.292 -0.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.3 130.62 16.56 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.559 2.172 . . . . 0.0 112.536 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 C--N 1.324 -0.518 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.11 -31.51 54.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.076 2.517 . . . . 0.0 113.499 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 111.054 -179.707 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.1 p . . . . . 0 N--CA 1.454 -0.231 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -83.58 49.33 1.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.755 0.788 . . . . 0.0 109.315 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 p -149.28 134.79 18.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.295 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 pt -89.6 133.93 33.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 123.008 0.192 . . . . 0.0 111.243 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.474 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.1 Cg_exo -73.16 132.01 25.06 Favored 'Cis proline' 0 C--N 1.346 0.422 0 C-N-CA 123.716 -1.368 . . . . 0.0 111.696 -0.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 34.5 Cg_exo -60.64 115.06 2.42 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.712 2.275 . . . . 0.0 112.226 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.3 mt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.916 179.789 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.1 -30.85 72.51 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.065 2.51 . . . . 0.0 112.663 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.389 179.631 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.46 HG23 ' HE1' ' A' ' 12' ' ' PHE . 75.5 p . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.692 0.282 . . . . 0.0 110.806 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -81.14 46.43 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.457 0.646 . . . . 0.0 110.452 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.2 p -121.39 177.53 5.15 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.125 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 36.4 mm -133.74 115.88 13.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 64.6 Cg_endo -73.96 148.84 92.94 Favored 'Cis proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.278 -1.551 . . . . 0.0 112.475 -0.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 6.3 Cg_exo -73.62 125.36 10.0 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.745 2.297 . . . . 0.0 112.097 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 C--N 1.325 -0.489 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.182 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.46 ' HE1' HG23 ' A' ' 4' ' ' THR . 4.1 m-85 . . . . . 0 C--O 1.237 0.438 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.99 53.57 0.62 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.485 2.79 . . . . 0.0 112.84 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--N 1.321 -0.662 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.678 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.6 p . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.728 0.299 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -84.26 49.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.33 0.586 . . . . 0.0 110.001 179.404 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -128.5 172.92 10.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.91 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.76 118.0 17.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.7 Cg_exo -72.79 146.25 86.24 Favored 'Cis proline' 0 CA--C 1.531 0.35 0 C-N-CA 124.021 -1.241 . . . . 0.0 112.344 -0.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 10.4 Cg_exo -71.27 125.82 11.72 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.708 2.272 . . . . 0.0 112.173 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--N 1.326 -0.446 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.143 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -54.42 -29.24 57.9 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.952 2.435 . . . . 0.0 112.649 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.937 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.9 p . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.84 0.353 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -86.94 49.32 1.79 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.582 0.706 . . . . 0.0 109.148 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 p -148.5 134.28 18.94 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.989 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.422 HG22 ' HD3' ' A' ' 9' ' ' PRO . 23.9 pt -89.76 134.38 32.29 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 121.186 -0.206 . . . . 0.0 111.211 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.472 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.5 Cg_exo -73.8 132.59 27.43 Favored 'Cis proline' 0 C--N 1.344 0.335 0 C-N-CA 123.691 -1.379 . . . . 0.0 111.544 -0.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 37.3 Cg_exo -59.88 116.82 3.57 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.46 2.106 . . . . 0.0 112.271 -179.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.5 mm . . . . . 0 C--N 1.324 -0.525 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.481 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.13 -27.87 58.02 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.014 2.476 . . . . 0.0 113.656 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.961 0.41 . . . . 0.0 111.07 -179.754 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.9 p . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -85.78 50.44 1.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.505 0.669 . . . . 0.0 110.028 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.3 p -135.6 177.67 7.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.675 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.9 pt -134.87 125.43 17.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.811 0.338 . . . . 0.0 110.265 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 9.7 Cg_exo -71.26 142.21 72.27 Favored 'Cis proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.096 -1.627 . . . . 0.0 111.828 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 15.6 Cg_exo -68.32 121.65 8.63 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.674 2.25 . . . . 0.0 112.193 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.253 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.46 -30.55 64.58 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.836 2.357 . . . . 0.0 112.701 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.312 179.619 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.2 p . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.794 0.331 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -81.81 49.84 1.42 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.297 0.57 . . . . 0.0 110.085 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.9 p -133.88 173.28 11.72 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.95 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.478 HD13 ' HD3' ' A' ' 9' ' ' PRO . 40.4 mm -131.01 119.68 18.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.34 144.67 81.76 Favored 'Cis proline' 0 C--O 1.234 0.304 0 C-N-CA 123.708 -1.372 . . . . 0.0 112.261 -0.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.478 ' HD3' HD13 ' A' ' 7' ' ' ILE . 55.8 Cg_endo -72.3 126.71 11.92 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.474 2.116 . . . . 0.0 112.315 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.9 mm . . . . . 0 C--N 1.323 -0.564 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.356 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.81 -29.12 70.65 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.068 2.512 . . . . 0.0 113.532 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.989 -179.825 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.7 p . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.726 0.298 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -82.27 50.32 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.642 0.734 . . . . 0.0 110.073 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 p -139.98 -174.58 3.96 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.026 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.2 pt -137.37 126.93 15.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 120.875 0.369 . . . . 0.0 110.389 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.93 138.56 56.12 Favored 'Cis proline' 0 C--O 1.234 0.294 0 C-N-CA 122.78 -1.758 . . . . 0.0 112.15 -0.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.73 120.43 7.54 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.389 2.059 . . . . 0.0 112.003 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 49.3 mm . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.684 179.716 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.17 -28.17 77.95 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.986 2.458 . . . . 0.0 112.628 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.573 -179.78 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.748 0.309 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 12.0 mptt -89.86 49.45 1.72 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.515 0.674 . . . . 0.0 109.935 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 p -122.21 -179.59 4.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.09 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 72.1 mt -137.61 114.55 9.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 7' ' ' ILE . 65.0 Cg_endo -73.81 145.54 84.32 Favored 'Cis proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.343 -1.524 . . . . 0.0 112.582 -0.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -70.71 128.1 14.72 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.534 2.156 . . . . 0.0 112.127 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 48.5 mm . . . . . 0 C--N 1.322 -0.589 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.779 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -57.5 -26.6 72.53 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.251 2.634 . . . . 0.0 113.527 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.125 -179.752 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.519 0 N-CA-C 112.09 -0.404 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.432 ' HE ' ' HB2' ' A' ' 2' ' ' ARG . 9.5 ttm180 -64.76 145.71 55.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.758 0.313 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.475 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.7 p -75.08 143.63 43.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.816 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.9 pttt -80.98 47.9 1.05 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.492 0.663 . . . . 0.0 110.287 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.6 p -129.44 -179.11 4.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.221 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 71.6 mt -136.78 119.1 11.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.79 142.97 76.37 Favored 'Cis proline' 0 CA--C 1.531 0.341 0 C-N-CA 123.268 -1.555 . . . . 0.0 112.487 0.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -70.21 124.06 10.54 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.483 2.122 . . . . 0.0 112.129 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 50.2 mm -80.06 125.84 39.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -94.52 156.41 38.56 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.732 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -56.91 -28.23 76.53 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.097 2.532 . . . . 0.0 113.325 -179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 111.19 -179.826 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.525 0 N-CA-C 112.252 -0.339 . . . . 0.0 112.252 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.58 149.09 31.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.134 0.493 . . . . 0.0 111.448 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.493 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.5 p -79.08 142.46 36.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.61 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -80.55 46.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.514 0.673 . . . . 0.0 110.472 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.9 p -114.23 -176.56 2.93 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.187 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 75.1 mt -139.55 112.94 7.85 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.502 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.3 Cg_exo -73.35 147.37 89.49 Favored 'Cis proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.803 -1.332 . . . . 0.0 112.317 -0.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 11.6 Cg_exo -70.52 126.02 12.37 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.731 2.287 . . . . 0.0 111.813 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 66.4 mt -79.95 122.46 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -89.67 147.33 37.48 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.397 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.17 -28.16 59.89 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 123.082 2.521 . . . . 0.0 113.473 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--N 1.326 -0.421 0 CA-C-O 120.753 0.311 . . . . 0.0 111.079 -179.588 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -66.07 148.88 51.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.948 0.404 . . . . 0.0 110.828 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.514 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.0 p -74.25 141.55 45.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.832 0.349 . . . . 0.0 110.875 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -84.47 49.91 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.631 0.729 . . . . 0.0 109.121 178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.8 p -150.05 134.82 17.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.202 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 pt -89.49 133.93 33.61 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 123.038 0.211 . . . . 0.0 111.253 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.0 Cg_exo -73.29 131.75 24.23 Favored 'Cis proline' 0 C--N 1.346 0.418 0 C-N-CA 123.778 -1.342 . . . . 0.0 111.628 -0.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 39.0 Cg_exo -61.79 116.35 3.39 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.51 2.14 . . . . 0.0 112.391 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 50.3 mm -79.34 120.93 31.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -93.4 152.16 40.81 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.425 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -56.63 -27.75 71.61 Favored 'Trans proline' 0 N--CA 1.473 0.312 0 C-N-CA 123.035 2.49 . . . . 0.0 113.396 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.759 0.314 . . . . 0.0 110.923 -179.741 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.724 -0.151 . . . . 0.0 112.724 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.94 149.29 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.162 0.506 . . . . 0.0 111.76 -179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.475 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.4 p -72.0 144.66 48.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.795 0.331 . . . . 0.0 110.807 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -82.71 46.75 1.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.196 0.522 . . . . 0.0 110.367 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -125.12 178.09 5.74 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.069 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 38.7 mm -132.95 117.65 15.02 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 64.8 Cg_endo -74.03 148.09 91.1 Favored 'Cis proline' 0 C--O 1.235 0.345 0 C-N-CA 123.369 -1.513 . . . . 0.0 112.484 -0.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 7.3 Cg_exo -72.64 125.35 10.51 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.751 2.301 . . . . 0.0 111.921 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 69.7 mt -79.85 121.15 32.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -90.65 148.92 39.65 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.428 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -56.5 -28.28 72.99 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.907 2.405 . . . . 0.0 112.71 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.565 -179.755 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.598 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.04 149.38 37.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.182 0.515 . . . . 0.0 111.796 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.519 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 58.5 p -72.74 140.77 48.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.973 0.416 . . . . 0.0 111.044 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HE2' ' HB2' ' A' ' 5' ' ' LYS . 9.0 ptmm? -82.03 48.14 1.2 Allowed 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.363 0.601 . . . . 0.0 109.825 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p -150.06 135.59 18.26 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.391 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.8 pt -89.73 134.13 32.82 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 123.067 0.23 . . . . 0.0 111.197 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.406 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.7 Cg_exo -73.28 131.47 23.22 Favored 'Cis proline' 0 C--N 1.346 0.426 0 C-N-CA 123.763 -1.349 . . . . 0.0 111.738 -0.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 38.4 Cg_exo -61.73 116.73 3.63 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.556 2.17 . . . . 0.0 112.24 -178.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.519 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 51.4 mm -79.27 118.24 26.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.476 ' HA ' ' HD3' ' A' ' 13' ' ' PRO . 4.8 m-85 -86.18 145.03 39.54 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.423 179.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 12' ' ' PHE . 19.9 Cg_exo -66.72 54.43 0.42 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.685 2.923 . . . . 0.0 112.979 -179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.451 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.2 -0.36 . . . . 0.0 112.2 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.42 ' HE ' ' HB2' ' A' ' 2' ' ' ARG . 9.9 ttm180 -65.34 145.67 55.89 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.849 0.357 . . . . 0.0 110.645 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.481 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.6 p -70.53 144.0 51.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.834 0.349 . . . . 0.0 110.818 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -82.54 49.26 1.43 Allowed 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -152.57 133.75 14.27 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.217 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.485 HG22 ' HD3' ' A' ' 9' ' ' PRO . 25.9 pt -89.88 133.81 33.21 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.522 0.201 . . . . 0.0 111.246 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.85 132.65 27.67 Favored 'Cis proline' 0 C--N 1.347 0.478 0 C-N-CA 123.401 -1.499 . . . . 0.0 111.936 -0.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' HG22 ' A' ' 7' ' ' ILE . 21.4 Cg_endo -62.19 117.74 4.61 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.547 2.165 . . . . 0.0 112.382 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.481 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 67.0 mt -79.34 126.84 39.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -90.26 159.69 41.44 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.503 179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.97 -28.58 69.47 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.005 2.47 . . . . 0.0 113.342 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.817 0.341 . . . . 0.0 111.092 -179.786 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.469 0 CA-C-O 120.385 -0.119 . . . . 0.0 112.863 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.642 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 9.2 ptp180 -64.14 146.88 53.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.192 0.52 . . . . 0.0 110.996 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.409 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.8 p -72.34 141.23 48.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.988 0.423 . . . . 0.0 110.618 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.1 mtmm -85.04 50.13 1.88 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.399 0.618 . . . . 0.0 109.393 178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.2 p -149.56 135.41 18.71 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.244 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.473 HG22 ' HD3' ' A' ' 9' ' ' PRO . 26.2 pt -89.47 133.94 33.61 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 123.026 0.204 . . . . 0.0 111.261 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_exo -73.36 132.75 27.75 Favored 'Cis proline' 0 C--N 1.347 0.48 0 C-N-CA 123.748 -1.355 . . . . 0.0 111.662 -0.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.473 ' HD3' HG22 ' A' ' 7' ' ' ILE . 18.7 Cg_endo -61.45 114.17 2.11 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.556 2.171 . . . . 0.0 112.281 -179.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 62.3 mt -80.04 124.13 37.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.168 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.642 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 4.7 m-85 -88.21 154.31 51.78 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.81 179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.38 -31.68 69.05 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.967 2.445 . . . . 0.0 112.762 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.312 179.677 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 N-CA-C 112.75 -0.14 . . . . 0.0 112.75 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -61.32 152.7 28.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.308 0.575 . . . . 0.0 111.894 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.477 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 66.7 p -73.41 140.41 46.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.836 0.351 . . . . 0.0 111.0 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -84.21 49.14 1.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.332 0.587 . . . . 0.0 109.588 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 p -147.71 136.01 21.51 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.327 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.68 131.73 38.91 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.488 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.6 Cg_exo -73.71 131.54 23.76 Favored 'Cis proline' 0 C--N 1.35 0.625 0 C-N-CA 124.024 -1.24 . . . . 0.0 112.035 -0.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 35.0 Cg_exo -62.3 116.4 3.47 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.658 2.239 . . . . 0.0 112.384 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 66.6 mt -79.55 119.09 28.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.606 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -88.2 146.41 38.08 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -56.34 -29.23 76.03 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.783 2.322 . . . . 0.0 112.261 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.609 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 N-CA-C 112.769 -0.132 . . . . 0.0 112.769 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.61 151.16 47.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.912 0.387 . . . . 0.0 111.213 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.506 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.0 p -81.45 140.29 34.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.268 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -81.3 43.96 0.76 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.354 0.597 . . . . 0.0 110.557 179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 p -103.93 -171.87 2.01 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.36 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.404 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 75.6 mt -140.04 109.39 7.03 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.464 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 74.0 Cg_endo -75.28 150.12 94.48 Favored 'Cis proline' 0 CA--C 1.533 0.456 0 C-N-CA 123.453 -1.478 . . . . 0.0 112.583 -0.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 13.8 Cg_exo -69.36 124.42 11.23 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.717 2.278 . . . . 0.0 111.605 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.506 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 50.1 mm -79.85 122.75 35.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.74 0.305 . . . . 0.0 110.211 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -91.3 146.37 33.31 Favored Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.58 -28.91 83.2 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.979 2.453 . . . . 0.0 112.666 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.394 -179.862 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.566 0 N-CA-C 111.937 -0.465 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -66.14 146.58 54.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.97 0.414 . . . . 0.0 110.846 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.449 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.0 p -74.01 141.8 45.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.827 0.346 . . . . 0.0 110.782 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -84.16 48.72 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.452 0.644 . . . . 0.0 109.603 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.8 p -149.43 133.45 17.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.26 -179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.828 HD13 ' H ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -89.72 134.2 32.7 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 123.045 0.215 . . . . 0.0 111.13 -179.629 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -72.59 131.79 23.72 Favored 'Cis proline' 0 C--N 1.346 0.442 0 C-N-CA 123.747 -1.356 . . . . 0.0 111.773 -0.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.94 118.45 5.34 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.563 2.176 . . . . 0.0 112.461 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 50.4 mm -79.64 124.27 37.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -92.38 153.37 42.79 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.535 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -57.31 -28.71 81.12 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.21 2.606 . . . . 0.0 113.472 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.966 0.412 . . . . 0.0 110.922 -179.751 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.603 0 N-CA-C 111.954 -0.459 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.416 ' HB2' ' OD1' ' A' ' 14' ' ' ASP . 3.5 tpp180 -65.21 146.09 55.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.85 0.357 . . . . 0.0 110.771 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.51 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.4 p -74.83 144.81 43.29 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.868 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 46.6 tttm -82.12 48.68 1.28 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.573 0.701 . . . . 0.0 109.813 179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -134.75 178.85 6.69 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.848 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.432 HD13 ' N ' ' A' ' 7' ' ' ILE . 0.2 OUTLIER -135.61 124.57 15.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 120.809 0.338 . . . . 0.0 110.096 179.08 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.494 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 57.1 Cg_endo -71.36 142.1 71.99 Favored 'Cis proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.992 -1.67 . . . . 0.0 112.325 -0.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 15.4 Cg_exo -68.06 122.65 9.75 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.637 2.225 . . . . 0.0 112.02 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.51 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 50.3 mm -79.65 123.81 36.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -93.59 154.04 41.18 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.458 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.91 -28.97 70.89 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.171 2.58 . . . . 0.0 113.464 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' OD1' ' HB2' ' A' ' 2' ' ' ARG . 4.6 p-10 . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 120.92 0.39 . . . . 0.0 110.945 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.565 0 N-CA-C 112.256 -0.338 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.81 153.46 28.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.922 0.391 . . . . 0.0 111.123 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.452 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.7 p -67.16 152.62 45.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.954 0.407 . . . . 0.0 111.099 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -82.41 46.86 1.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.063 0.458 . . . . 0.0 110.512 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -131.94 176.65 8.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.102 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 77.6 mt -137.87 119.04 10.52 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -71.77 140.95 68.48 Favored 'Cis proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.725 -1.364 . . . . 0.0 112.292 -0.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.3 130.62 16.56 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.559 2.172 . . . . 0.0 112.536 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.452 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 3.3 mp -79.57 126.3 39.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -85.95 154.51 58.12 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.257 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.11 -31.51 54.85 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.076 2.517 . . . . 0.0 113.499 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.847 0.356 . . . . 0.0 111.054 -179.707 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 N-CA-C 112.908 -0.077 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.648 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 9.2 ptp180 -63.65 147.53 51.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.191 0.519 . . . . 0.0 111.033 -179.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.448 ' HG3' ' HG2' ' A' ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 68.1 p -72.29 141.52 48.87 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 -179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -83.58 49.33 1.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.755 0.788 . . . . 0.0 109.315 179.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.2 p -149.28 134.79 18.52 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.295 -179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.6 pt -89.6 133.93 33.43 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 123.008 0.192 . . . . 0.0 111.243 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.474 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.1 Cg_exo -73.16 132.01 25.06 Favored 'Cis proline' 0 C--N 1.346 0.422 0 C-N-CA 123.716 -1.368 . . . . 0.0 111.696 -0.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 34.5 Cg_exo -60.64 115.06 2.42 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.712 2.275 . . . . 0.0 112.226 -178.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 62.3 mt -79.77 122.02 34.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.916 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . 0.448 ' HG2' ' HG3' ' A' ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.648 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 4.8 m-85 -88.75 154.69 50.49 Favored Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -55.1 -30.85 72.51 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.065 2.51 . . . . 0.0 112.663 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.389 179.631 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.508 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -64.42 150.92 45.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.186 0.517 . . . . 0.0 111.79 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.434 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.46 HG23 ' HE1' ' A' ' 12' ' ' PHE . 75.5 p -75.1 143.66 43.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.806 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -81.14 46.43 0.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.457 0.646 . . . . 0.0 110.452 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.2 p -121.39 177.53 5.15 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.125 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 36.4 mm -133.74 115.88 13.55 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 64.6 Cg_endo -73.96 148.84 92.94 Favored 'Cis proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.278 -1.551 . . . . 0.0 112.475 -0.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 6.3 Cg_exo -73.62 125.36 10.0 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.745 2.297 . . . . 0.0 112.097 -179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 3.3 mp -80.02 121.38 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.46 ' HE1' HG23 ' A' ' 4' ' ' THR . 4.1 m-85 -87.98 143.23 32.89 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -67.99 53.57 0.62 Allowed 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.485 2.79 . . . . 0.0 112.84 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--N 1.321 -0.662 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.678 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.44 0 N-CA-C 113.686 0.234 . . . . 0.0 113.686 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.454 ' HE ' ' CG ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -60.38 155.36 18.2 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.27 0.557 . . . . 0.0 111.876 -179.393 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.445 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.6 p -71.5 148.9 46.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.977 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 0.9 OUTLIER -84.26 49.08 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.33 0.586 . . . . 0.0 110.001 179.404 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -128.5 172.92 10.7 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.311 -0.858 . . . . 0.0 109.91 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.1 mp -130.76 118.0 17.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.7 Cg_exo -72.79 146.25 86.24 Favored 'Cis proline' 0 CA--C 1.531 0.35 0 C-N-CA 124.021 -1.241 . . . . 0.0 112.344 -0.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 10.4 Cg_exo -71.27 125.82 11.72 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.708 2.272 . . . . 0.0 112.173 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.445 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 66.0 mt -79.79 121.01 32.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -81.86 147.56 58.74 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -54.42 -29.24 57.9 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.952 2.435 . . . . 0.0 112.649 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' CG ' ' HE ' ' A' ' 2' ' ' ARG . 2.3 p30 . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.937 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 112.217 -0.353 . . . . 0.0 112.217 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -68.8 146.44 52.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.877 0.37 . . . . 0.0 110.352 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.475 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.9 p -68.53 144.01 54.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.651 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -86.94 49.32 1.79 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.582 0.706 . . . . 0.0 109.148 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.6 p -148.5 134.28 18.94 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 114.906 -1.043 . . . . 0.0 108.989 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.422 HG22 ' HD3' ' A' ' 9' ' ' PRO . 23.9 pt -89.76 134.38 32.29 Favored Pre-proline 0 C--N 1.324 -0.535 0 C-N-CA 121.186 -0.206 . . . . 0.0 111.211 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.472 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 6.5 Cg_exo -73.8 132.59 27.43 Favored 'Cis proline' 0 C--N 1.344 0.335 0 C-N-CA 123.691 -1.379 . . . . 0.0 111.544 -0.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 37.3 Cg_exo -59.88 116.82 3.57 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.46 2.106 . . . . 0.0 112.271 -179.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 49.5 mm -79.38 122.88 35.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 179.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -98.75 154.94 37.2 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.325 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.13 -27.87 58.02 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.014 2.476 . . . . 0.0 113.656 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.961 0.41 . . . . 0.0 111.07 -179.754 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 112.854 -0.098 . . . . 0.0 112.854 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.546 ' HG2' ' HB2' ' A' ' 12' ' ' PHE . 7.1 ptp180 -63.26 145.92 54.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.176 0.513 . . . . 0.0 111.12 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.9 p -71.72 147.3 47.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.778 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -85.78 50.44 1.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.505 0.669 . . . . 0.0 110.028 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.3 p -135.6 177.67 7.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.675 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.9 pt -134.87 125.43 17.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 120.811 0.338 . . . . 0.0 110.265 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.485 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 9.7 Cg_exo -71.26 142.21 72.27 Favored 'Cis proline' 0 CA--C 1.53 0.325 0 C-N-CA 123.096 -1.627 . . . . 0.0 111.828 -0.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 15.6 Cg_exo -68.32 121.65 8.63 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.674 2.25 . . . . 0.0 112.193 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mp -81.33 123.24 37.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.546 ' HB2' ' HG2' ' A' ' 2' ' ' ARG . 4.6 m-85 -87.14 154.21 54.61 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.648 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.46 -30.55 64.58 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.836 2.357 . . . . 0.0 112.701 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.312 179.619 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 112.084 -0.407 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -64.92 147.71 52.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 110.868 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.483 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.2 p -73.04 146.89 45.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.022 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -81.81 49.84 1.42 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.297 0.57 . . . . 0.0 110.085 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.9 p -133.88 173.28 11.72 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.95 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.478 HD13 ' HD3' ' A' ' 9' ' ' PRO . 40.4 mm -131.01 119.68 18.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.34 144.67 81.76 Favored 'Cis proline' 0 C--O 1.234 0.304 0 C-N-CA 123.708 -1.372 . . . . 0.0 112.261 -0.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.478 ' HD3' HD13 ' A' ' 7' ' ' ILE . 55.8 Cg_endo -72.3 126.71 11.92 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.474 2.116 . . . . 0.0 112.315 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 50.9 mm -79.88 125.03 38.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -91.15 155.09 44.92 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.463 179.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.81 -29.12 70.65 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.068 2.512 . . . . 0.0 113.532 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.989 -179.825 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.692 -0.163 . . . . 0.0 112.692 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.05 150.16 30.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.266 0.555 . . . . 0.0 111.766 -179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.484 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.7 p -73.46 139.9 46.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.726 0.298 . . . . 0.0 110.66 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.4 pttp -82.27 50.32 1.58 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.642 0.734 . . . . 0.0 110.073 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 p -139.98 -174.58 3.96 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.026 -179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 21.2 pt -137.37 126.93 15.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 120.875 0.369 . . . . 0.0 110.389 179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.93 138.56 56.12 Favored 'Cis proline' 0 C--O 1.234 0.294 0 C-N-CA 122.78 -1.758 . . . . 0.0 112.15 -0.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -66.73 120.43 7.54 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.389 2.059 . . . . 0.0 112.003 -179.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 49.3 mm -79.8 122.29 34.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.684 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -92.71 147.26 33.81 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.441 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -57.17 -28.17 77.95 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.986 2.458 . . . . 0.0 112.628 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.573 -179.78 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 N-CA-C 111.992 -0.443 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.405 ' HB2' ' OD1' ' A' ' 14' ' ' ASP . 9.0 ttm180 -63.57 142.43 58.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.81 0.338 . . . . 0.0 110.559 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ABA . . . . . 0.501 ' HA ' ' O ' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 67.2 p -74.41 152.46 39.5 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.748 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 12.0 mptt -89.86 49.45 1.72 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.515 0.674 . . . . 0.0 109.935 179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 p -122.21 -179.59 4.22 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.09 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 72.1 mt -137.61 114.55 9.52 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 7' ' ' ILE . 65.0 Cg_endo -73.81 145.54 84.32 Favored 'Cis proline' 0 CA--C 1.531 0.336 0 C-N-CA 123.343 -1.524 . . . . 0.0 112.582 -0.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -70.71 128.1 14.72 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.534 2.156 . . . . 0.0 112.127 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 3' ' ' ABA . 48.5 mm -80.09 125.5 39.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ABA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -95.0 155.73 38.73 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.524 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -57.5 -26.6 72.53 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.251 2.634 . . . . 0.0 113.527 -179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' OD1' ' HB2' ' A' ' 2' ' ' ARG . 8.9 p-10 . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.35 . . . . 0.0 111.125 -179.752 . . . . . . . . 1 1 . 1 stop_ save_